Gaussian 16 GINC-C11-34 BASTIABS Molecule Name ES64L-G16RevC.01 27-Nov-2021 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 75 75 (5D, 7F) def2SVP UTPSSh def2SVP FTS #p utpssh/def2svp symmetry=none scf=(maxcycle=128,xqc) opt=(ts,calcfc,noeigentest,addredund) scrf=(cpcm,solvent=chloroform) empiricaldispersion=gd3 iop(3/175=1219000,3/176=1223000) 816.1387000000004 0 4 AuxInfo=1/1/N:9,7,11,5,13,55;19,17,21,15,23,56;29,27,31,25,33,57;36,35,62,63;41,40,64,65;46,45,66,67;51,50,68,70;71;2;3;4;69;58;59;60;61;1/E:3*(2,3)(4,5);4*(3,4);;;;;;;;;;/CRV:3*1.3,2.3,3.3,4.3,5.3,6-1;4*2.3,3-1,4-1;1.3;;;;;;;;;/rA:75RuCoCoCoC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3CHHHC3CHHHC3CHHHC3CHHHNNNO3O3O3O3OOOOOOOOOC3HHHH/rB:;;;;s5;s5;s7;s7;s9;s9;s11;s11;s13;;s15;s15;s17;s17;s19;s19;s21;s21;s23;;s25;s25;s27;s27;s29;s29;s31;s31;s33;;s35;s36;s36;s36;;s40;s41;s41;s41;;s45;s46;s46;s46;;s50;s51;s51;s51;s2s5s13;s3s15s23;s4s25s33;s1s2s3;s2s3s4;s1s2s4;s1s3s4;s2s35;s1s35;s2s40;s4s40;s3s45;s4s45;s1s50;s1;s3s50;;s71;s71;s71;s69;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /cluster/software/Gaussian/g16_C.01/l1.exe "/cluster/work/users/bastiabs/ru_ch4_4_ts/Gau-38790.inp" -scrdir="/cluster/work/users/bastiabs/ru_ch4_4_ts/" LindaWorkers=c11-34-ib NProcShared=40 chk=ru_ch4_4_ts.chk #p utpssh/def2svp symmetry=none scf=(maxcycle=128,xqc) opt=(ts,calcfc, 1/5=1,10=4,11=1,18=120,26=3,38=1/1,3 2/9=110,12=2,15=3,17=6,18=5,40=1/2 3/5=43,7=101,11=2,25=1,30=1,70=2101,71=2,72=7,74=-35,116=2,124=31,140=1,175=1219000,176=1223000/1,2,3 4//1 5/5=2,7=128,8=3,13=1,38=5,53=7/2,8 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10 10/6=1,13=1,31=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7/10=1,25=1,30=1/1,2,3,16 1/5=1,10=4,11=1,18=20,26=3/3(2) 2/9=110,15=3/2 99//99 2/9=110,15=3/2 3/5=43,7=101,11=2,25=1,30=1,70=2105,71=1,72=7,74=-35,116=2,124=31,175=1219000,176=1223000/1,2,3 4/5=5,16=3,69=1/1 5/5=2,7=128,8=3,13=1,38=5,53=7/2,8 7/30=1/1,2,3,16 1/5=1,11=1,18=20,26=3/3(-5) 2/9=110,15=3/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Molecule Name 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 102 59 59 59 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 12 1 1 1 12 12 1 1 1 12 12 1 1 1 12 12 1 1 1 14 14 14 16 16 16 16 16 16 16 16 16 16 16 16 16 12 1 1 1 1 101.9037000 58.9331978 58.9331978 58.9331978 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 14.0030740 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 0 7 7 7 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 0 1 1 1 0 0 1 1 1 0 0 1 1 1 0 0 1 1 1 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /cluster/software/Gaussian/g16_C.01/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 7 7 9 9 11 11 13 13 15 15 15 17 17 19 19 21 21 23 23 25 25 25 27 27 29 29 31 31 33 33 35 35 35 36 36 36 40 40 40 41 41 41 45 45 45 46 46 46 50 50 50 51 51 51 69 71 71 71 71 2 3 58 60 61 63 68 69 4 55 58 59 60 62 64 4 56 58 59 61 66 70 57 59 60 61 65 67 6 7 55 8 9 10 11 12 13 14 55 16 17 56 18 19 20 21 22 23 24 56 26 27 57 28 29 30 31 32 33 34 57 36 62 63 37 38 39 41 64 65 42 43 44 46 66 67 47 48 49 51 68 70 52 53 54 75 72 73 74 75 2.809 2.8089 2.0217 1.9474 1.95 2.0737 2.064 1.8915 2.7016 1.9228 1.8876 1.8571 1.8973 1.9556 1.9423 2.7045 1.9271 1.8827 1.8583 1.8838 1.9452 1.9676 1.9422 1.865 1.8923 1.8859 1.9275 1.9302 1.0898 1.3933 1.3436 1.0909 1.3981 1.092 1.398 1.0908 1.3932 1.0895 1.3436 1.0899 1.3933 1.3436 1.0909 1.3982 1.0921 1.3981 1.0909 1.3934 1.09 1.3434 1.0903 1.3934 1.3436 1.0909 1.3982 1.0921 1.3979 1.0909 1.3936 1.0896 1.3425 1.5112 1.2666 1.2764 1.102 1.0978 1.0974 1.5127 1.2704 1.2714 1.0977 1.0973 1.1022 1.5128 1.2696 1.2726 1.0978 1.1022 1.0973 1.5101 1.2827 1.2625 1.1019 1.0966 1.0985 1.1053 1.0946 1.0953 1.0954 1.4916 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 2 2 2 2 2 3 3 3 3 58 58 58 58 60 60 60 61 61 61 63 63 68 1 1 1 1 1 4 4 4 4 55 55 55 55 58 58 58 59 59 60 60 62 1 1 1 1 1 4 4 4 4 56 56 56 56 58 58 58 59 59 61 61 66 2 2 2 2 2 3 3 3 3 57 57 57 57 59 59 59 59 60 60 61 65 6 6 7 5 5 8 7 7 10 9 9 12 11 11 14 16 16 17 15 15 18 17 17 20 19 19 22 21 21 24 26 26 27 25 25 28 27 27 30 29 29 32 31 31 34 36 36 62 35 35 35 37 37 38 41 41 64 40 40 40 42 42 43 46 46 66 45 45 45 47 47 48 51 51 68 50 50 50 52 52 53 2 2 5 3 3 15 4 4 25 2 2 1 1 2 1 2 4 3 4 1 1 3 72 72 72 73 73 74 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 7 7 7 9 9 9 11 11 11 13 13 13 15 15 15 17 17 17 19 19 19 21 21 21 23 23 23 25 25 25 27 27 27 29 29 29 31 31 31 33 33 33 35 35 35 36 36 36 36 36 36 40 40 40 41 41 41 41 41 41 45 45 45 46 46 46 46 46 46 50 50 50 51 51 51 51 51 51 55 55 55 56 56 56 57 57 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 71 71 71 71 71 3 61 63 68 69 60 63 68 69 60 61 63 68 61 63 69 63 68 69 68 69 69 4 55 59 62 64 55 58 62 64 58 59 62 64 59 60 62 60 64 62 64 64 4 56 59 66 70 56 58 66 70 58 59 66 70 59 61 70 61 66 66 70 70 3 57 61 65 67 57 60 65 67 60 61 65 67 60 61 65 67 61 65 67 67 7 55 55 8 9 9 10 11 11 12 13 13 14 55 55 17 56 56 18 19 19 20 21 21 22 23 23 24 56 56 27 57 57 28 29 29 30 31 31 32 33 33 34 57 57 62 63 63 37 38 39 38 39 39 64 65 65 42 43 44 43 44 44 66 67 67 47 48 49 48 49 49 68 70 70 52 53 54 53 54 54 5 13 13 15 23 23 25 33 33 3 3 4 4 35 35 40 40 45 45 50 75 50 73 74 75 74 75 75 59.9153 83.8341 80.1131 128.6882 139.9277 84.3174 128.1796 81.3752 139.7113 83.9994 83.4526 86.2644 86.5528 79.3933 87.0806 98.4341 163.7666 88.7452 98.6897 103.1666 92.0932 91.3834 63.9698 137.6229 89.1038 84.6412 131.1244 135.7047 89.7698 133.3835 83.0642 92.2832 92.8747 90.7834 91.2111 82.7231 89.1506 91.8666 87.4963 90.4249 88.9768 87.3874 94.7723 63.9349 137.4747 89.0831 131.2768 83.3999 136.1594 89.7842 83.1625 132.2048 92.1968 93.3641 91.1908 91.5486 82.8253 89.1717 91.2309 87.1797 90.3263 87.4939 88.0436 95.3382 62.5202 135.2261 88.095 84.3416 132.1553 135.5392 88.3414 132.57 84.1858 91.0053 91.7503 91.8845 92.6175 87.415 86.9269 89.2548 88.8146 82.4279 90.4346 90.4858 96.4143 122.9251 115.5311 121.5398 119.6469 118.9251 121.4262 120.5398 118.9117 120.5473 121.4428 118.9012 119.6537 122.7951 121.5722 115.6314 122.8032 115.6103 121.5848 119.6787 118.8934 121.4259 120.5395 118.9205 120.5385 121.4249 118.8953 119.6777 122.9124 121.5859 115.497 122.8106 115.5253 121.6559 119.6879 118.8944 121.4165 120.5609 118.8819 120.5569 121.4717 118.8668 119.6594 122.5115 121.7086 115.7799 117.0715 116.0907 126.8087 108.3254 110.3892 110.4022 108.2005 108.5108 110.9269 116.4076 116.1119 127.4611 110.3256 110.5346 108.2692 110.8827 108.2184 108.5229 116.3271 116.1454 127.5074 110.3162 108.1954 110.6274 108.1716 110.9116 108.5254 115.3337 117.5697 127.0773 108.1464 110.7635 110.0369 109.1657 107.7581 110.8756 119.6587 120.1976 120.1427 120.0789 119.8076 120.1114 119.2266 120.6358 119.9885 96.1556 98.0582 99.0169 99.1474 124.3843 123.9036 122.8685 122.0839 122.7484 122.1756 122.5149 110.3143 125.3302 115.783 116.0513 98.8886 115.8551 102.8353 103.8009 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 58 60 55 58 59 56 58 59 57 60 61 69 58 60 55 58 59 56 58 59 57 60 61 69 1 1 2 2 2 3 3 3 4 4 4 75 1 1 2 2 2 3 3 3 4 4 4 75 69 68 60 64 62 61 66 70 59 67 65 71 69 68 60 64 62 61 66 70 59 67 65 71 60 3 58 4 1 58 4 1 60 3 2 3 60 3 58 4 1 58 4 1 60 3 2 3 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 182.4335 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 165.6926 181.4337 172.8339 173.7451 181.3685 172.9467 172.483 178.4203 172.5271 172.4366 173.5246 178.232 178.2325 180.1926 177.6293 181.4451 179.6225 182.4832 179.0498 181.1268 182.4454 177.5302 183.082 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 3 3 3 3 3 61 61 61 61 61 63 63 63 63 63 68 68 68 68 68 69 69 69 69 69 2 2 2 2 2 60 60 60 60 60 63 63 63 63 63 68 68 68 68 68 69 69 69 69 69 3 58 61 63 69 2 58 60 63 68 69 2 3 58 60 61 68 69 2 3 58 61 63 69 2 3 60 61 63 68 1 1 1 1 1 55 55 55 55 55 58 58 58 58 58 62 62 62 62 62 64 64 64 64 64 1 1 4 4 58 58 59 59 62 62 64 64 4 55 59 60 62 1 55 58 60 64 1 4 55 58 60 64 1 4 55 59 60 62 1 1 1 1 1 56 56 56 56 56 58 58 58 58 58 66 66 66 66 66 70 70 70 70 70 1 1 4 4 58 58 59 59 66 66 70 70 4 56 59 61 70 1 56 58 61 66 1 4 56 59 61 70 1 4 56 58 61 66 2 2 3 3 60 60 61 61 65 65 67 67 3 57 59 61 65 2 57 59 60 67 2 3 57 59 60 67 2 3 57 59 61 65 6 6 55 55 6 6 7 7 5 5 8 8 7 7 10 10 9 9 12 12 11 11 14 14 16 16 56 56 16 16 17 17 15 15 18 18 17 17 20 20 19 19 22 22 21 21 24 24 26 26 57 57 26 26 27 27 25 25 28 28 27 27 30 30 29 29 32 32 31 31 34 34 62 62 62 63 63 63 36 63 36 62 64 64 64 65 65 65 41 65 41 64 66 66 66 67 67 67 46 67 46 66 68 68 68 70 70 70 51 70 51 68 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 7 7 7 7 9 9 9 9 11 11 11 11 13 13 13 13 15 15 15 15 15 15 15 15 17 17 17 17 19 19 19 19 21 21 21 21 23 23 23 23 25 25 25 25 25 25 25 25 27 27 27 27 29 29 29 29 31 31 31 31 33 33 33 33 35 35 35 35 35 35 35 35 35 35 40 40 40 40 40 40 40 40 40 40 45 45 45 45 45 45 45 45 45 45 50 50 50 50 50 50 50 50 50 50 69 69 69 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 60 60 60 60 60 61 61 61 61 61 61 63 63 63 63 63 63 63 68 68 68 68 68 68 69 69 69 69 69 69 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 55 55 55 55 55 55 55 55 55 55 55 55 58 58 58 58 58 59 59 59 59 59 62 62 62 62 62 62 64 64 64 64 64 64 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 56 56 56 56 56 56 56 56 56 56 56 56 58 58 58 58 58 59 59 59 59 59 66 66 66 66 66 66 70 70 70 70 70 70 57 57 57 57 57 57 57 57 57 57 57 57 60 60 60 60 60 61 61 61 61 61 65 65 65 65 65 65 67 67 67 67 67 67 7 7 7 7 55 55 55 55 9 9 9 9 11 11 11 11 13 13 13 13 55 55 55 55 17 17 17 17 56 56 56 56 19 19 19 19 21 21 21 21 23 23 23 23 56 56 56 56 27 27 27 27 57 57 57 57 29 29 29 29 31 31 31 31 33 33 33 33 57 57 57 57 36 36 36 36 36 36 62 62 63 63 41 41 41 41 41 41 64 64 65 65 46 46 46 46 46 46 66 66 67 67 51 51 51 51 51 51 68 68 70 70 71 71 71 4 55 59 62 64 4 55 59 62 64 4 55 59 62 64 4 55 59 62 64 4 55 59 62 64 4 56 59 66 70 4 56 59 66 70 4 56 59 66 70 4 56 59 66 70 4 56 59 66 70 4 4 4 4 4 4 4 4 4 4 4 35 35 35 35 35 35 35 50 50 50 50 50 50 75 75 75 75 75 75 3 57 61 65 67 3 57 61 65 67 3 57 61 65 67 3 57 61 65 67 3 57 61 65 67 5 13 5 13 5 13 5 13 5 13 5 13 3 3 3 3 3 3 3 3 3 3 35 35 35 35 35 35 40 40 40 40 40 40 2 57 60 65 67 2 57 60 65 67 2 57 60 65 67 2 57 60 65 67 2 57 60 65 67 15 23 15 23 15 23 15 23 15 23 15 23 2 2 2 2 2 2 2 2 2 2 45 45 45 45 45 45 50 50 50 50 50 50 25 33 25 33 25 33 25 33 25 33 25 33 1 1 1 1 1 1 1 1 1 1 40 40 40 40 40 40 45 45 45 45 45 45 8 9 8 9 2 13 2 13 10 11 10 11 12 13 12 13 14 55 14 55 2 5 2 5 18 19 18 19 3 23 3 23 20 21 20 21 22 23 22 23 24 56 24 56 3 15 3 15 28 29 28 29 4 33 4 33 30 31 30 31 32 33 32 33 34 57 34 57 4 25 4 25 37 38 39 37 38 39 2 2 1 1 42 43 44 42 43 44 2 2 4 4 47 48 49 47 48 49 3 3 4 4 52 53 54 52 53 54 1 1 3 3 72 73 74 -67.4134 62.8672 -30.4161 148.1388 -120.1978 -30.6902 99.5905 6.3071 -175.138 -83.4745 146.8858 -82.8335 -176.1169 2.438 94.1015 -114.102 16.1787 -77.1047 101.4502 -166.8863 65.489 -164.2303 102.4863 -78.9588 12.7047 67.3048 -63.5836 30.3947 120.024 -148.6551 30.4755 -100.4128 -6.4346 83.1948 174.5156 112.2332 -18.6551 75.3232 164.9525 -103.7267 -147.757 81.3547 175.3329 -95.0377 -3.7169 -65.8721 163.2396 -102.7821 -13.1528 78.168 -41.2445 -83.5317 0.9041 -170.0783 98.2363 41.7164 84.1842 -0.9075 33.1447 170.8578 -97.9342 -2.017 -40.3548 -44.0941 40.0765 6.6343 -129.6689 138.4193 44.7125 5.1579 47.1548 -36.3604 132.5016 -135.0241 -128.7689 -27.347 -118.4992 -38.03 154.1432 50.9118 69.2728 -58.898 31.6672 -145.863 120.5976 -63.3111 168.5181 -100.9167 81.5531 -11.9863 29.7229 -98.448 -7.8827 174.587 81.0476 122.0738 -6.097 84.4682 -93.062 173.3985 -147.9064 83.9228 174.488 -3.0422 -96.5817 37.9745 -142.3997 138.985 -41.3893 46.9733 -133.401 129.797 -50.5772 -44.9262 134.6995 -139.7166 39.9091 -39.4591 96.2795 3.6712 -83.913 -172.8615 41.9711 -95.6719 -3.7349 85.7279 173.0942 -3.9363 -49.8986 133.8594 41.5493 -47.5673 -134.8597 49.9092 3.7838 -132.1565 -39.2721 48.2021 136.956 -69.3235 58.4407 -31.3045 -120.3708 146.2501 63.1391 -169.0967 101.1581 12.0918 -81.2873 -29.8084 97.9559 8.2107 -80.8556 -174.2348 147.7084 -84.5274 -174.2726 96.6611 3.282 -121.2745 6.4898 -83.2554 -172.3217 94.2991 -41.1932 139.3306 -142.5469 37.9769 -50.5696 129.9543 -133.5073 47.0166 136.0957 -43.3804 40.7221 -138.754 39.4078 -96.784 -3.668 83.5935 171.6187 -41.9732 95.5376 3.7438 -85.7756 -173.2503 -49.2328 -3.1888 133.2053 39.8336 -47.329 -135.1277 3.8396 49.2467 -133.8099 -41.5785 47.5504 134.8488 -31.9374 143.6238 -127.1986 48.3626 -38.5423 137.0189 -120.9965 54.5647 51.9257 -132.5131 148.4369 -36.0019 42.9719 -92.5591 86.314 -0.9269 175.5484 -43.4944 91.7079 -86.8717 0.926 -175.6585 3.2734 47.1655 -132.0016 46.4276 -40.9814 135.1508 -48.5444 -4.4216 131.0999 -47.5905 39.3256 -136.7071 0.5768 -178.9417 179.8142 0.2957 -2.008 178.366 178.7014 -0.9246 179.866 0.2693 0.3563 -179.2404 179.2304 -0.2141 -0.3663 -179.8107 179.1568 -0.4109 -0.2978 -179.8655 -178.6405 0.9834 1.7626 -178.6135 -0.4422 179.0552 -179.9495 -0.4521 2.0593 -178.4662 -178.3999 1.0746 -179.8136 -0.2541 -0.3253 179.2341 -179.1242 0.3395 0.4353 179.899 -178.9034 0.274 0.5699 179.7472 178.4921 -0.9838 -2.273 178.251 -1.0409 178.5632 -179.9503 -0.3461 -2.6844 -178.2749 176.2998 0.7093 -179.7674 0.0142 -0.1704 179.6112 -179.5275 -0.0443 0.2541 179.7373 -179.6239 0.4096 -0.1312 179.9024 -176.2693 -0.7418 3.7622 179.2896 -91.5565 150.141 27.1301 86.6176 -31.6849 -154.6958 -178.2404 3.8078 -178.165 -0.1957 149.2038 26.202 -92.5423 -32.2746 -155.2764 85.9793 175.6193 -2.7082 -179.8765 -1.5448 32.649 -85.4989 155.7447 -148.8579 92.9942 -25.7622 179.2091 0.9144 -174.6329 3.6645 -75.8711 164.5421 41.5916 102.6437 -16.9431 -139.8936 173.9612 -4.3886 -179.3586 -1.0412 26.5664 -91.6568 146.3079 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 0.10000e-02 0.10000e-05 F 75 1.00e+00 60 T IExCor= 2523 DFT=T Ex+Corr=TPSSh ExCW=0 ScaHFX= 0.100000 ScaDFX= 0.900000 0.900000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. PrsmSu: requested number of processors reduced to: 10 ShMem 1 Linda. PrsmSu: requested number of processors reduced to: 30 ShMem 1 Linda. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 71253 NPrTT= 275659 LenC2= 59696 LenP2D= 144971. LDataN: DoStor=T MaxTD1= 7 Len= 274 Number of processors reduced to 7 by ecpmxn. NBasis= 839 RedAO= T EigKep= 4.12D-04 NBF= 839 NBsUse= 839 1.00D-06 EigRej= -1.00D+00 NBFU= 839 Berny optimization. saddle point Step number 3 out of a maximum of 450 All quantities printed in internal units (Hartrees-Bohrs-Radians) -0.06435 0.00007 0.00014 0.00025 0.00037 0.00075 0.00112 0.00234 0.00299 0.00464 0.00475 0.00479 0.00500 0.00519 0.00556 0.00567 0.00572 0.00617 0.00676 0.00726 0.00810 0.00983 0.01008 0.01253 0.01354 0.01402 0.01469 0.01537 0.01564 0.01594 0.01602 0.01707 0.01722 0.01723 0.01843 0.01883 0.01982 0.01991 0.02013 0.02029 0.02055 0.02103 0.02375 0.02391 0.02409 0.02497 0.02512 0.02517 0.02592 0.02643 0.02652 0.02753 0.02923 0.02964 0.02968 0.02987 0.02992 0.03007 0.03012 0.03141 0.03332 0.03388 0.03437 0.03457 0.03480 0.03725 0.03882 0.04038 0.04355 0.04410 0.04539 0.04844 0.04894 0.05333 0.05341 0.05348 0.05354 0.05464 0.05600 0.05603 0.05612 0.05625 0.05713 0.06242 0.07076 0.07345 0.07682 0.07716 0.07892 0.07909 0.08000 0.08060 0.08186 0.08379 0.08594 0.09191 0.09486 0.09677 0.09885 0.10075 0.10210 0.10371 0.10573 0.10577 0.10585 0.10963 0.10981 0.11094 0.11192 0.11430 0.11998 0.12008 0.12014 0.12194 0.12199 0.12215 0.12245 0.12283 0.12528 0.12540 0.12546 0.12598 0.12669 0.12908 0.13016 0.13072 0.13097 0.13126 0.13127 0.13176 0.13212 0.13515 0.13546 0.13552 0.13555 0.13619 0.14233 0.15033 0.16037 0.16116 0.16690 0.18400 0.18610 0.19097 0.19143 0.19147 0.19197 0.19226 0.20371 0.20515 0.20537 0.20564 0.20717 0.20736 0.21317 0.21483 0.21519 0.21727 0.26563 0.29132 0.29176 0.29562 0.29619 0.29879 0.30069 0.30088 0.33931 0.33939 0.34006 0.34028 0.34764 0.34895 0.34914 0.34916 0.34987 0.35020 0.35027 0.35149 0.35433 0.35712 0.35896 0.36119 0.36128 0.36142 0.36377 0.36380 0.36395 0.36469 0.36475 0.36486 0.36783 0.36849 0.36908 0.36935 0.36976 0.36996 0.42865 0.42876 0.42969 0.43661 0.43835 0.43839 0.48482 0.48586 0.48615 0.48706 0.49859 0.50802 0.50931 0.50955 0.51270 0.51461 0.52254 0.52473 0.54666 0.54773 0.55045 0.55091 0.55644 4.537432929e-12 0.00000000e+00 Linear search 1 2 0.00024954 0.00000020 0.00000020 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 5.30987 5.30874 3.82241 3.68102 3.68547 3.91745 3.90011 3.57243 5.10515 3.63360 3.56713 3.50999 3.58296 3.69459 3.67046 5.11067 3.64184 3.55770 3.51200 3.55828 3.67605 3.71772 3.67058 3.52500 3.57490 3.56331 3.64237 3.64810 2.05947 2.63310 2.53877 2.06148 2.64199 2.06374 2.64188 2.06145 2.63284 2.05900 2.53875 2.05957 2.63301 2.53888 2.06151 2.64216 2.06377 2.64205 2.06151 2.63316 2.05995 2.53850 2.06032 2.63311 2.53885 2.06158 2.64190 2.06388 2.64160 2.06157 2.63339 2.05907 2.53677 2.85607 2.39364 2.41129 2.08252 2.07450 2.07374 2.85903 2.40054 2.40222 2.07456 2.07353 2.08283 2.85913 2.39903 2.40451 2.07460 2.08288 2.07357 2.85411 2.42327 2.38585 2.08233 2.07240 2.07593 2.08804 2.06855 2.06977 2.06991 2.81980 1.04535 1.46250 1.39775 2.24670 2.44028 1.47068 2.23714 1.42039 2.43696 1.46485 1.45580 1.50580 1.51163 1.38546 1.51865 1.71668 2.85702 1.54803 1.72113 1.80282 1.60871 1.59617 1.11621 2.40190 1.55530 1.47741 2.28892 2.36909 1.56683 2.32789 1.44982 1.61043 1.62129 1.58397 1.59164 1.44407 1.55604 1.60334 1.52705 1.57755 1.55315 1.52568 1.65454 1.11573 2.39946 1.55525 2.29159 1.45550 2.37669 1.56712 1.45160 2.30766 1.60887 1.62948 1.59114 1.59734 1.44595 1.55666 1.59191 1.52173 1.57573 1.52746 1.53702 1.66482 1.09108 2.35890 1.53746 1.47217 2.30694 2.36479 1.54144 2.31465 1.46942 1.58764 1.60080 1.60360 1.61731 1.52523 1.51690 1.55853 1.55033 1.43914 1.57743 1.57854 1.68395 2.14603 2.01589 2.12120 2.08828 2.07563 2.11924 2.10383 2.07538 2.10396 2.11953 2.07518 2.08844 2.14376 2.12181 2.01760 2.14390 2.01727 2.12199 2.08884 2.07507 2.11924 2.10382 2.07553 2.10381 2.11921 2.07509 2.08884 2.14578 2.12202 2.01530 2.14376 2.01605 2.12321 2.08878 2.07521 2.11917 2.10423 2.07482 2.10413 2.12012 2.07459 2.08844 2.13842 2.12426 2.02051 2.04284 2.02576 2.21410 1.89031 1.92639 1.92703 1.88827 1.89404 1.93649 2.03161 2.02582 2.22542 1.92477 1.92941 1.89002 1.93540 1.88787 1.89505 2.02976 2.02686 2.22622 1.92526 1.88841 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2.10382 2.07553 2.10381 2.11921 2.07509 2.08884 2.14578 2.12202 2.01530 2.14376 2.01605 2.12321 2.08878 2.07521 2.11917 2.10423 2.07482 2.10413 2.12012 2.07459 2.08844 2.13841 2.12426 2.02051 2.04282 2.02577 2.21410 1.89031 1.92640 1.92701 1.88829 1.89401 1.93649 2.03156 2.02587 2.22542 1.92483 1.92936 1.89001 1.93541 1.88795 1.89496 2.02977 2.02685 2.22622 1.92526 1.88841 1.93074 1.88754 1.93607 1.89438 2.01269 2.05133 2.21883 1.88719 1.93312 1.92059 1.90503 1.88075 1.93569 2.08815 2.09796 2.09704 2.09556 2.09108 2.09650 2.08026 2.10602 2.09421 1.67804 1.71096 1.72807 1.73032 2.17022 2.16290 2.14407 2.13039 2.14199 2.13190 2.13782 1.92566 2.18721 2.02108 2.02601 1.72620 2.02223 1.79317 1.81156 3.18151 2.89107 3.16647 3.01664 3.03271 3.16553 3.01871 3.01075 3.11286 3.01086 3.00963 3.02685 3.11241 3.11012 3.14525 3.09951 3.16676 3.13488 3.18577 3.12462 3.16194 3.18425 3.09785 3.19538 -1.17674 1.09769 -0.53105 2.58538 -2.09727 -0.53622 1.73822 0.10948 -3.05727 -1.45674 2.56246 -1.44629 -3.07503 0.04140 1.64193 -1.99021 0.28423 -1.34451 1.77192 -2.91073 1.13952 -2.86924 1.78522 -1.38154 0.21899 1.17472 -1.10997 0.53071 2.09441 -2.59391 0.53263 -1.75207 -0.11139 1.45231 3.04718 1.95728 -0.32742 1.31327 2.87697 -1.81135 -2.57749 1.42100 3.06168 -1.65781 -0.06294 -1.14576 2.85273 -1.78977 -0.22607 1.36879 -0.72111 -1.45910 0.01408 -2.97001 1.71168 0.72893 1.46991 -0.01413 0.57781 2.98376 -1.70639 -0.03552 -0.70327 -0.76953 0.69836 0.11701 -2.26398 2.41333 0.77760 0.08853 0.82122 -0.63570 2.31108 -2.35633 -2.24637 -0.48191 -2.06954 -0.66564 2.69001 0.88597 1.20919 -1.02640 0.55342 -2.54443 2.10445 -1.10465 2.94295 -1.76042 1.42492 -0.20939 0.51888 -1.71671 -0.13690 3.04844 1.41414 2.13071 -0.10489 1.47493 -1.62292 3.02597 -2.58063 1.46696 3.04678 -0.05107 -1.68537 0.66274 -2.48652 2.42588 -0.72338 0.82008 -2.32919 2.26591 -0.88335 -0.78382 2.35010 -2.43866 0.69526 -0.68881 1.68087 0.06419 -1.46438 -3.01703 0.73262 -1.66966 -0.06530 1.49619 3.02152 -0.06549 -0.86751 2.33948 0.72859 -0.82686 -2.35089 0.86709 0.06277 -2.31047 -0.68903 0.83766 2.38694 -1.21038 1.01754 -0.54741 -2.10021 2.55152 1.10156 -2.95369 1.76454 0.21174 -1.41971 -0.52039 1.70753 0.14258 -1.41022 -3.04167 2.57703 -1.47823 -3.04318 1.68720 0.05575 -2.11636 0.11157 -1.45338 -3.00618 1.64555 -0.71877 2.43289 -2.48787 0.66379 -0.88270 2.26896 -2.33060 0.82106 2.37565 -0.75587 0.71024 -2.42128 0.68792 -1.68933 -0.06414 1.45897 2.99568 -0.73281 1.66731 0.06545 -1.49724 -3.02440 -0.85682 -0.05364 2.32721 0.69761 -0.82385 -2.35659 0.06371 0.85556 -2.33888 -0.72942 0.82651 2.35056 -0.54817 2.51452 -2.20832 0.85437 -0.66227 2.40042 -2.10184 0.96084 0.91572 -2.30478 2.60139 -0.61911 0.75140 -1.61326 1.50798 -0.01443 3.06621 -0.76025 1.59824 -1.51749 0.01442 -3.06737 0.05564 0.82076 -2.30411 0.80890 -0.71625 2.35770 -0.84521 -0.07559 2.28880 -0.82912 0.68761 -2.38525 0.01037 -3.12325 3.13881 0.00519 -0.03620 3.11306 3.11762 -0.01630 3.13974 0.00486 0.00626 -3.12861 3.12846 -0.00396 -0.00641 -3.13883 3.12731 -0.00708 -0.00527 -3.13967 -3.11661 0.01727 0.03169 -3.11762 -0.00799 3.12525 -3.14113 -0.00789 0.03694 -3.11475 -3.11252 0.01897 -3.13883 -0.00465 -0.00575 3.12844 -3.12656 0.00614 0.00763 3.14032 -3.12265 0.00478 0.01020 3.13763 3.11413 -0.01738 -0.04062 3.11105 -0.01894 3.11491 -3.14009 -0.00624 -0.04666 -3.10989 3.07590 0.01267 -3.13710 0.00029 -0.00338 3.13400 -3.13303 -0.00076 0.00436 3.13663 -3.13513 0.00722 -0.00269 3.13967 -3.07523 -0.01317 0.06707 3.12913 -1.60112 2.61783 0.47040 1.50893 -0.55530 -2.70274 -3.11521 0.06179 -3.10697 -0.00049 2.59247 0.44588 -1.62798 -0.57484 -2.72144 1.48790 3.06862 -0.04385 -3.14006 -0.02750 0.57117 -1.49036 2.71985 -2.59662 1.62503 -0.44795 3.12627 0.01435 -3.04857 0.06339 -1.32785 2.86873 0.72214 1.78781 -0.29880 -2.44539 3.03567 -0.07707 -3.12696 -0.01478 0.46745 -1.59574 2.55790 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000003 0.000000 0.003066 0.000250 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.271636e-09 Optimization completed on the basis of negligible forces. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 7 7 9 9 11 11 13 13 15 15 15 17 17 19 19 21 21 23 23 25 25 25 27 27 29 29 31 31 33 33 35 35 35 36 36 36 40 40 40 41 41 41 45 45 45 46 46 46 50 50 50 51 51 51 69 71 71 71 71 2 3 58 60 61 63 68 69 4 55 58 59 60 62 64 4 56 58 59 61 66 70 57 59 60 61 65 67 6 7 55 8 9 10 11 12 13 14 55 16 17 56 18 19 20 21 22 23 24 56 26 27 57 28 29 30 31 32 33 34 57 36 62 63 37 38 39 41 64 65 42 43 44 46 66 67 47 48 49 51 68 70 52 53 54 75 72 73 74 75 2.8099 2.8093 2.0227 1.9479 1.9503 2.073 2.0638 1.8904 2.7015 1.9228 1.8876 1.8574 1.896 1.9551 1.9423 2.7045 1.9272 1.8827 1.8585 1.883 1.9453 1.9673 1.9424 1.8653 1.8918 1.8856 1.9275 1.9305 1.0898 1.3934 1.3435 1.0909 1.3981 1.0921 1.398 1.0909 1.3932 1.0896 1.3434 1.0899 1.3933 1.3435 1.0909 1.3982 1.0921 1.3981 1.0909 1.3934 1.0901 1.3433 1.0903 1.3934 1.3435 1.0909 1.398 1.0922 1.3979 1.0909 1.3935 1.0896 1.3424 1.5114 1.2667 1.276 1.102 1.0978 1.0974 1.5129 1.2703 1.2712 1.0978 1.0973 1.1022 1.513 1.2695 1.2724 1.0978 1.1022 1.0973 1.5103 1.2823 1.2625 1.1019 1.0967 1.0985 1.1049 1.0946 1.0953 1.0953 1.4922 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 2 2 2 2 2 3 3 3 3 58 58 58 58 60 60 60 61 61 61 63 63 68 1 1 1 1 1 4 4 4 4 55 55 55 55 58 58 58 59 59 60 60 62 1 1 1 1 1 4 4 4 4 56 56 56 56 58 58 58 59 59 61 61 66 2 2 2 2 2 3 3 3 3 57 57 57 57 59 59 59 59 60 60 61 65 6 6 7 5 5 8 7 7 10 9 9 12 11 11 14 16 16 17 15 15 18 17 17 20 19 19 22 21 21 24 26 26 27 25 25 28 27 27 30 29 29 32 31 31 34 36 36 62 35 35 35 37 37 38 41 41 64 40 40 40 42 42 43 46 46 66 45 45 45 47 47 48 51 51 68 50 50 50 52 52 53 2 2 5 3 3 15 4 4 25 2 2 1 1 2 1 2 4 3 4 1 1 3 72 72 72 73 73 74 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 7 7 7 9 9 9 11 11 11 13 13 13 15 15 15 17 17 17 19 19 19 21 21 21 23 23 23 25 25 25 27 27 27 29 29 29 31 31 31 33 33 33 35 35 35 36 36 36 36 36 36 40 40 40 41 41 41 41 41 41 45 45 45 46 46 46 46 46 46 50 50 50 51 51 51 51 51 51 55 55 55 56 56 56 57 57 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 71 71 71 71 71 3 61 63 68 69 60 63 68 69 60 61 63 68 61 63 69 63 68 69 68 69 69 4 55 59 62 64 55 58 62 64 58 59 62 64 59 60 62 60 64 62 64 64 4 56 59 66 70 56 58 66 70 58 59 66 70 59 61 70 61 66 66 70 70 3 57 61 65 67 57 60 65 67 60 61 65 67 60 61 65 67 61 65 67 67 7 55 55 8 9 9 10 11 11 12 13 13 14 55 55 17 56 56 18 19 19 20 21 21 22 23 23 24 56 56 27 57 57 28 29 29 30 31 31 32 33 33 34 57 57 62 63 63 37 38 39 38 39 39 64 65 65 42 43 44 43 44 44 66 67 67 47 48 49 48 49 49 68 70 70 52 53 54 53 54 54 5 13 13 15 23 23 25 33 33 3 3 4 4 35 35 40 40 45 45 50 75 50 73 74 75 74 75 75 59.894 83.795 80.0854 128.7265 139.8178 84.264 128.1788 81.3821 139.6274 83.9297 83.4111 86.2761 86.61 79.3808 87.0122 98.3584 163.6953 88.6955 98.6137 103.2938 92.1722 91.4537 63.9544 137.6189 89.1122 84.6492 131.1457 135.7389 89.7725 133.3785 83.0684 92.2709 92.8931 90.7549 91.194 82.7394 89.1546 91.8648 87.4933 90.387 88.9887 87.4148 94.7984 63.9265 137.4788 89.1092 131.2982 83.3943 136.1743 89.7892 83.1705 132.2191 92.1815 93.3621 91.1657 91.521 82.8468 89.1899 91.2097 87.1884 90.2825 87.5172 88.0646 95.3869 62.5143 135.1553 88.0897 84.3494 132.1781 135.4927 88.3181 132.6194 84.1914 90.9652 91.7189 91.8795 92.6649 87.3893 86.912 89.2974 88.8275 82.4566 90.3803 90.4439 96.4832 122.9586 115.5017 121.5357 119.6499 118.925 121.4235 120.5406 118.9105 120.5478 121.4401 118.899 119.6588 122.8283 121.5707 115.5999 122.8363 115.5809 121.5812 119.6817 118.8929 121.4237 120.5401 118.9191 120.5394 121.422 118.8942 119.6818 122.9442 121.583 115.4683 122.8283 115.5112 121.651 119.6783 118.9006 121.4195 120.5634 118.8786 120.5575 121.4737 118.8653 119.6589 122.5224 121.7111 115.7665 117.0459 116.0673 126.8584 108.3069 110.3739 110.4104 108.1897 108.5203 110.9527 116.4026 116.0711 127.5071 110.2812 110.5471 108.2901 110.8905 108.1668 108.5784 116.2969 116.1303 127.5528 110.3093 108.198 110.6232 108.1478 110.9289 108.54 115.319 117.5322 127.1294 108.1274 110.7592 110.0422 109.1497 107.7594 110.907 119.6423 120.2045 120.1517 120.0668 119.8098 120.1208 119.1912 120.6648 119.9893 96.1444 98.0307 99.0111 99.1399 124.3446 123.9253 122.8458 122.0628 122.7268 122.1488 122.4881 110.3322 125.3178 115.7995 116.0818 98.9042 115.8654 102.7409 103.7949 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 58 60 55 58 59 56 58 59 57 60 61 69 58 60 55 58 59 56 58 59 57 60 61 1 1 2 2 2 3 3 3 4 4 4 75 1 1 2 2 2 3 3 3 4 4 4 69 68 60 64 62 61 66 70 59 67 65 71 69 68 60 64 62 61 66 70 59 67 65 60 3 58 4 1 58 4 1 60 3 2 3 60 3 58 4 1 58 4 1 60 3 2 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 182.2881 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 165.6461 181.4255 172.8409 173.7614 181.3714 172.9596 172.5035 178.3545 172.5095 172.4391 173.4255 178.3275 178.1966 180.2096 177.5885 181.4419 179.6155 182.531 179.0275 181.1656 182.4445 177.4937 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 3 3 3 3 3 61 61 61 61 61 63 63 63 63 63 68 68 68 68 68 69 69 69 69 69 2 2 2 2 2 60 60 60 60 60 63 63 63 63 63 68 68 68 68 68 69 69 69 69 69 3 58 61 63 69 2 58 60 63 68 69 2 3 58 60 61 68 69 2 3 58 61 63 69 2 3 60 61 63 68 1 1 1 1 1 55 55 55 55 55 58 58 58 58 58 62 62 62 62 62 64 64 64 64 64 1 1 4 4 58 58 59 59 62 62 64 64 4 55 59 60 62 1 55 58 60 64 1 4 55 58 60 64 1 4 55 59 60 62 1 1 1 1 1 56 56 56 56 56 58 58 58 58 58 66 66 66 66 66 70 70 70 70 70 1 1 4 4 58 58 59 59 66 66 70 70 4 56 59 61 70 1 56 58 61 66 1 4 56 59 61 70 1 4 56 58 61 66 2 2 3 3 60 60 61 61 65 65 67 67 3 57 59 61 65 2 57 59 60 67 2 3 57 59 60 67 2 3 57 59 61 65 6 6 55 55 6 6 7 7 5 5 8 8 7 7 10 10 9 9 12 12 11 11 14 14 16 16 56 56 16 16 17 17 15 15 18 18 17 17 20 20 19 19 22 22 21 21 24 24 26 26 57 57 26 26 27 27 25 25 28 28 27 27 30 30 29 29 32 32 31 31 34 34 62 62 62 63 63 63 36 63 36 62 64 64 64 65 65 65 41 65 41 64 66 66 66 67 67 67 46 67 46 66 68 68 68 70 70 70 51 70 51 68 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 7 7 7 7 9 9 9 9 11 11 11 11 13 13 13 13 15 15 15 15 15 15 15 15 17 17 17 17 19 19 19 19 21 21 21 21 23 23 23 23 25 25 25 25 25 25 25 25 27 27 27 27 29 29 29 29 31 31 31 31 33 33 33 33 35 35 35 35 35 35 35 35 35 35 40 40 40 40 40 40 40 40 40 40 45 45 45 45 45 45 45 45 45 45 50 50 50 50 50 50 50 50 50 50 69 69 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 60 60 60 60 60 61 61 61 61 61 61 63 63 63 63 63 63 63 68 68 68 68 68 68 69 69 69 69 69 69 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 55 55 55 55 55 55 55 55 55 55 55 55 58 58 58 58 58 59 59 59 59 59 62 62 62 62 62 62 64 64 64 64 64 64 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 56 56 56 56 56 56 56 56 56 56 56 56 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2 45 45 45 45 45 45 50 50 50 50 50 50 25 33 25 33 25 33 25 33 25 33 25 33 1 1 1 1 1 1 1 1 1 1 40 40 40 40 40 40 45 45 45 45 45 45 8 9 8 9 2 13 2 13 10 11 10 11 12 13 12 13 14 55 14 55 2 5 2 5 18 19 18 19 3 23 3 23 20 21 20 21 22 23 22 23 24 56 24 56 3 15 3 15 28 29 28 29 4 33 4 33 30 31 30 31 32 33 32 33 34 57 34 57 4 25 4 25 37 38 39 37 38 39 2 2 1 1 42 43 44 42 43 44 2 2 4 4 47 48 49 47 48 49 3 3 4 4 52 53 54 52 53 54 1 1 3 3 72 73 -67.4224 62.893 -30.4266 148.1315 -120.1647 -30.7227 99.5927 6.2731 -175.1688 -83.465 146.818 -82.8666 -176.1862 2.3719 94.0757 -114.0302 16.2852 -77.0344 101.5237 -166.7725 65.2903 -164.3942 102.2861 -79.1558 12.548 67.3067 -63.5968 30.4073 120.0009 -148.6202 30.5172 -100.3863 -6.3821 83.2114 174.5903 112.1437 -18.7598 75.2444 164.8379 -103.7831 -147.6794 81.4171 175.4213 -94.9852 -3.6063 -65.6484 163.4481 -102.5477 -12.9542 78.4247 -41.3162 -83.6 0.8069 -170.1686 98.0725 41.7642 84.2193 -0.8098 33.1049 170.9568 -97.7702 -2.035 -40.2944 -44.0909 40.0133 6.7047 -129.7169 138.2746 44.5532 5.0725 47.0526 -36.423 132.4152 -135.0082 -128.7105 -27.6128 -118.5785 -38.1412 154.1239 50.7593 69.2815 -58.8089 31.7083 -145.7854 120.576 -63.2915 168.6181 -100.8647 81.6416 -11.997 29.7294 -98.3609 -7.8438 174.6625 81.024 122.0804 -6.0099 84.5072 -92.9865 173.3749 -147.859 84.0506 174.5677 -2.926 -96.5645 37.9716 -142.4678 138.992 -41.4474 46.9863 -133.4531 129.8264 -50.6131 -44.9101 134.6505 -139.7257 39.8348 -39.4656 96.3071 3.6781 -83.9025 -172.8631 41.9756 -95.6644 -3.7413 85.7252 173.1205 -3.7522 -49.7044 134.0423 41.7454 -47.3757 -134.696 49.6802 3.5963 -132.3809 -39.479 47.9942 136.7612 -69.3499 58.3017 -31.3642 -120.3331 146.1913 63.1151 -169.2334 101.1007 12.1318 -81.3438 -29.8162 97.8354 8.1695 -80.7994 -174.275 147.6528 -84.6957 -174.3616 96.6695 3.1939 -121.2584 6.3932 -83.2727 -172.2416 94.2828 -41.1829 139.3943 -142.5452 38.032 -50.5756 130.0017 -133.534 47.0432 136.1144 -43.3083 40.6934 -138.7294 39.4147 -96.7918 -3.6751 83.5928 171.6397 -41.9866 95.5301 3.7504 -85.7853 -173.2856 -49.0918 -3.0729 133.3394 39.9707 -47.2028 -135.0226 3.65 49.0198 -134.0082 -41.7933 47.3551 134.6771 -31.4163 144.0639 -126.5366 48.9435 -37.954 137.5262 -120.4353 55.0448 52.4583 -132.0616 149.0401 -35.4797 43.052 -92.4337 86.4008 -0.8274 175.6801 -43.5589 91.5731 -86.9457 0.8267 -175.7474 3.1883 47.0269 -132.0156 46.347 -41.0373 135.087 -48.4267 -4.3309 131.1391 -47.5045 39.3976 -136.664 0.5942 -178.9492 179.8406 0.2972 -2.0738 178.3654 178.6268 -0.934 179.8938 0.2787 0.3587 -179.2563 179.2478 -0.2267 -0.3672 -179.8417 179.1821 -0.4058 -0.3019 -179.8898 -178.5688 0.9895 1.8152 -178.6265 -0.4576 179.0637 -179.9733 -0.452 2.1169 -178.4621 -178.3342 1.0868 -179.8419 -0.2662 -0.3293 179.2464 -179.1385 0.3516 0.4372 179.9273 -178.915 0.2738 0.5842 179.773 178.4264 -0.996 -2.3276 178.2499 -1.085 178.4716 -179.914 -0.3574 -2.6723 -178.1836 176.2374 0.7261 -179.7424 0.0164 -0.1939 179.5649 -179.5089 -0.0431 0.2499 179.7158 -179.629 0.4138 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 Grimme-D3 -0.1110872613 C-PCM UFF Total charges None Matrix inversion Chloroform 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0.61537 0.61813 0.61906 0.62672 0.62930 0.63117 0.63473 0.63936 0.64246 0.64472 0.64678 0.65000 0.65558 0.65845 0.65958 0.66251 0.66358 0.66595 0.66882 0.67058 0.67451 0.67513 0.67598 0.67738 0.68125 0.68378 0.68513 0.68664 0.68828 0.69217 0.69413 0.69817 0.70083 0.70236 0.70628 0.70996 0.71405 0.71744 0.72137 0.72435 0.73147 0.73328 0.74005 0.74443 0.75245 0.75508 0.76131 0.76163 0.76825 0.77182 0.77858 0.79236 0.79291 0.79518 0.80642 0.81354 0.81948 0.82123 0.82408 0.82516 0.83194 0.84007 0.84867 0.85441 0.86427 0.88558 0.89761 0.90430 0.91272 0.91641 0.92969 0.93091 0.94947 0.95180 0.96318 0.98855 0.99209 0.99661 1.01088 1.02037 1.03033 1.04545 1.05433 1.06153 1.06432 1.07334 1.07785 1.08363 1.08515 1.10000 1.10700 1.11543 1.12179 1.12552 1.13237 1.13621 1.13850 1.14448 1.15400 1.15845 1.16570 1.17033 1.17877 1.17977 1.18248 1.18913 1.19256 1.19922 1.20209 1.21025 1.21376 1.21978 1.22142 1.22746 1.22829 1.23618 1.23815 1.24316 1.24713 1.25134 1.25402 1.25710 1.26008 1.26195 1.27042 1.27873 1.28240 1.28636 1.28955 1.29690 1.30347 1.31408 1.31716 1.31979 1.32867 1.33502 1.33573 1.34148 1.34894 1.35667 1.36178 1.36817 1.37377 1.37772 1.38161 1.38930 1.39159 1.39779 1.40361 1.40719 1.41365 1.41816 1.42346 1.43076 1.43343 1.43763 1.44600 1.44816 1.45802 1.46610 1.47352 1.48272 1.48323 1.48801 1.49542 1.50573 1.50785 1.52432 1.52909 1.53460 1.53881 1.53969 1.54437 1.54799 1.55459 1.55749 1.56735 1.58264 1.58633 1.59131 1.59418 1.59762 1.61983 1.62314 1.62717 1.63663 1.64429 1.65646 1.66079 1.66702 1.66871 1.67356 1.67931 1.68670 1.68873 1.69129 1.69704 1.70413 1.70773 1.71456 1.72010 1.72305 1.72735 1.73106 1.73545 1.74192 1.74452 1.74627 1.74855 1.75040 1.75382 1.75466 1.75764 1.75928 1.76199 1.76592 1.77042 1.77405 1.77636 1.77918 1.78380 1.79093 1.79361 1.80053 1.80500 1.80717 1.80814 1.81214 1.81357 1.81831 1.82220 1.82711 1.82865 1.83300 1.83895 1.84850 1.85453 1.85908 1.87048 1.87634 1.88754 1.89362 1.89741 1.90198 1.90884 1.91303 1.91889 1.92744 1.93185 1.94068 1.94345 1.94933 1.95099 1.96148 1.96310 1.97036 1.97377 1.97697 1.98105 1.98553 1.98669 1.99191 1.99823 2.00025 2.00636 2.00824 2.01335 2.01922 2.02202 2.02682 2.03663 2.04396 2.04972 2.05508 2.05848 2.06749 2.07159 2.07561 2.08427 2.09470 2.09815 2.10845 2.11037 2.11769 2.12784 2.13151 2.13425 2.13895 2.14138 2.14618 2.15593 2.15888 2.16326 2.17531 2.18366 2.19785 2.20463 2.20889 2.20923 2.22124 2.22372 2.23605 2.25315 2.26581 2.28092 2.28241 2.28371 2.29192 2.29854 2.31973 2.32746 2.33451 2.33733 2.34004 2.34203 2.36108 2.38516 2.39402 2.39449 2.39649 2.40147 2.40276 2.40411 2.41554 2.42395 2.42938 2.43799 2.44204 2.44755 2.45104 2.45974 2.46066 2.46891 2.47307 2.47441 2.48226 2.49165 2.49622 2.49949 2.50260 2.53983 2.54160 2.54965 2.58869 2.59389 2.59830 2.60096 2.60946 2.62050 2.62588 2.63259 2.63514 2.64675 2.65053 2.65690 2.66697 2.67840 2.69379 2.69765 2.70213 2.70406 2.71810 2.72214 2.72394 2.72682 2.73124 2.73196 2.73854 2.74300 2.74923 2.75264 2.75619 2.76345 2.76840 2.77452 2.77886 2.78144 2.78421 2.79032 2.81178 2.82287 2.83372 2.83952 2.84058 2.85002 2.85283 2.85822 2.86270 2.88113 2.88194 2.88748 2.89446 2.90111 2.90673 2.91259 2.91474 2.91688 2.92154 2.92785 2.93006 2.94688 2.95105 2.95854 2.96247 2.96884 2.96964 2.97346 2.98132 2.98301 2.98481 2.99359 2.99458 2.99842 3.00165 3.00711 3.01408 3.01690 3.02239 3.02430 3.04608 3.05918 3.06252 3.08413 3.09104 3.11152 3.11452 3.12912 3.12979 3.13804 3.14206 3.14992 3.15330 3.15815 3.19545 3.20073 3.20577 3.21528 3.22511 3.23463 3.26833 3.30325 3.30916 3.31483 3.32293 3.33458 3.34085 3.37117 3.37584 3.38839 3.41279 3.58705 3.59412 3.60352 3.61602 3.65180 3.65930 3.66829 3.67433 3.67803 3.68190 3.68270 3.79787 4.83499 4.83649 4.83969 4.84123 4.84375 4.84440 4.84516 4.85241 4.85304 4.85511 4.85705 4.86203 4.92988 4.93796 4.93889 4.94019 4.95540 4.97049 4.97935 4.98845 5.01257 45.62180 -8.5165 -1.7188 -6.1380 10.6376 -195.3116 -273.4787 -281.4996 -3.4218 2.8012 -3.8489 54.7850 -23.3821 -31.4030 -3.4218 2.8012 -3.8489 43.1289 2.5915 -136.0346 88.3325 -9.9966 -77.0829 -55.2517 -14.8199 -11.5819 -9.3160 -9842.9465 -6701.6351 -6126.4555 167.2413 -133.9808 160.5326 263.6687 -488.7076 34.8022 -3065.2660 -3127.0076 -1844.4324 49.2463 -238.9972 32.7664 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 816.1387000000004 AuxInfo=1/1/N:9,7,11,5,13,55;19,17,21,15,23,56;29,27,31,25,33,57;36,35,62,63;41,40,64,65;46,45,66,67;51,50,68,70;71;2;3;4;69;58;59;60;61;1/E:3*(2,3)(4,5);4*(3,4);;;;;;;;;;/CRV:3*1.3,2.3,3.3,4.3,5.3,6-1;4*2.3,3-1,4-1;1.3;;;;;;;;;/rA:75RuCoCoCoC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3CHHHC3CHHHC3CHHHC3CHHHNNNO3O3O3O3OOOOOOOOOC3HHHH/rB:;;;;s5;s5;s7;s7;s9;s9;s11;s11;s13;;s15;s15;s17;s17;s19;s19;s21;s21;s23;;s25;s25;s27;s27;s29;s29;s31;s31;s33;;s35;s36;s36;s36;;s40;s41;s41;s41;;s45;s46;s46;s46;;s50;s51;s51;s51;s2s5s13;s3s15s23;s4s25s33;s1s2s3;s2s3s4;s1s2s4;s1s3s4;s2s35;s1s35;s2s40;s4s40;s3s45;s4s45;s1s50;s1;s3s50;;s71;s71;s71;s69;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.0974416 0.0662924 0.0641395 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 44. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 864 853 859 861 864 MxSgAt= 75 MxSgA2= 75. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. PrsmSu: requested number of processors reduced to: 10 ShMem 1 Linda. PrsmSu: requested number of processors reduced to: 30 ShMem 1 Linda. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 71253 NPrTT= 275659 LenC2= 59696 LenP2D= 144976. LDataN: DoStor=T MaxTD1= 7 Len= 274 Number of processors reduced to 7 by ecpmxn. NBasis= 839 RedAO= T EigKep= 4.12D-04 NBF= 839 NBsUse= 839 1.00D-06 EigRej= -1.00D+00 NBFU= 839 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 44. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 863 853 859 861 863 MxSgAt= 75 MxSgA2= 75. 1 3.7710 Using compressed storage, NAtomX= 75. Will process 76 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=1111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 4.7113, EpsInf= 2.0906) Direct CPHF calculation. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. Defaulting to unpruned grid for atomic number 44. 23114 words used for storage of precomputed grid. Two-electron integral symmetry not used. MDV= 104857600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 96. Estimated number of processors is: 12 FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 960000000 NMat= 3 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. Defaulting to unpruned grid for atomic number 44. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. There are 228 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 0. 225 vectors produced by pass 0 Test12= 2.54D-13 1.00D-09 XBig12= 7.28D-01 3.80D-01. Estimated number of processors is: 12 AX will form 3 AO Fock derivatives at one time. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 225 vectors produced by pass 1 Test12= 2.54D-13 1.00D-09 XBig12= 1.07D+00 2.62D-01. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 225 vectors produced by pass 2 Test12= 2.54D-13 1.00D-09 XBig12= 1.61D-02 1.54D-02. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 32 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. 222 vectors produced by pass 3 Test12= 2.54D-13 1.00D-09 XBig12= 3.68D-04 1.98D-03. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. 222 vectors produced by pass 4 Test12= 2.54D-13 1.00D-09 XBig12= 3.47D-06 1.35D-04. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 222 vectors produced by pass 5 Test12= 2.54D-13 1.00D-09 XBig12= 1.44D-08 6.64D-06. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 162 vectors produced by pass 6 Test12= 2.54D-13 1.00D-09 XBig12= 5.23D-11 4.36D-07. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 32 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 32 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. 26 vectors produced by pass 7 Test12= 2.54D-13 1.00D-09 XBig12= 1.62D-13 2.15D-08. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 32 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 32 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 32 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 27 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 33 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. 2 vectors produced by pass 8 Test12= 2.54D-13 1.00D-09 XBig12= 8.39D-16 1.55D-09. Estimated number of processors is: 16 CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 27 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 34 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. InvSVY: IOpt=1 It= 1 EMax= 1.55D-15 Solved reduced A of dimension 1531 with 228 vectors. End of Minotr F.D. properties file 721 does not exist. 0.000 0.000 0.000 0.000 0.000 0.000 941.180 -51.430 733.037 72.413 -5.271 799.048 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 Ru Co Co Co C H C H C H C H C H C H C H C H C H C H C H C H C H C H C H C C H H H C C H H H C C H H H C C H H H N N N O O O O O O O O O O O O O C H H H H 99 59 59 59 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 13 1 1 1 13 13 1 1 1 13 13 1 1 1 13 13 1 1 1 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 17 13 1 1 1 1 -0.00000 0.03937 0.01418 0.06179 0.00001 0.00001 0.00015 0.00001 -0.00003 0.00000 0.00008 0.00001 -0.00016 0.00000 0.00005 0.00001 0.00010 0.00000 -0.00001 0.00000 0.00003 0.00000 -0.00007 0.00001 0.00047 0.00003 -0.00014 -0.00001 0.00016 0.00000 0.00005 0.00001 0.00018 -0.00001 0.00266 -0.00017 0.00005 0.00010 -0.00000 -0.00061 -0.00012 -0.00000 0.00006 0.00000 -0.00027 -0.00007 -0.00001 0.00000 0.00001 0.00448 -0.00131 0.00030 0.00002 0.00022 0.00744 0.00303 -0.00012 0.03179 0.00065 0.02859 0.02538 0.00527 0.01517 0.00137 -0.00001 -0.00090 0.00007 0.00636 0.18341 0.00880 0.23466 -0.00826 -0.00736 -0.00693 -0.02581 0.00028 13.88204 5.00033 21.79098 0.00236 0.00852 0.05689 0.02186 -0.01104 0.00686 0.02900 0.01927 -0.05885 0.00509 0.01735 0.01908 0.03612 0.00675 -0.00320 0.00257 0.01157 0.00553 -0.02555 0.00817 0.17478 0.04179 -0.05396 -0.01382 0.06120 0.00575 0.01711 0.01306 0.06618 -0.02099 0.99734 -0.06351 0.07537 0.15240 -0.00416 -0.22675 -0.04434 -0.00486 0.08892 0.00561 -0.10265 -0.02797 -0.01518 0.00467 0.01707 1.67973 -0.49207 0.44500 0.02538 0.32284 0.80113 0.32615 -0.01332 -6.42269 -0.13228 -5.77660 -5.12898 -1.06533 -3.06515 -0.27682 0.00205 0.18106 -0.01357 -1.28595 -37.06088 -1.77780 87.93323 -12.30535 -10.96469 -10.32219 -38.45270 0.00010 4.95346 1.78424 7.77556 0.00084 0.00304 0.02030 0.00780 -0.00394 0.00245 0.01035 0.00688 -0.02100 0.00182 0.00619 0.00681 0.01289 0.00241 -0.00114 0.00092 0.00413 0.00197 -0.00912 0.00292 0.06237 0.01491 -0.01926 -0.00493 0.02184 0.00205 0.00611 0.00466 0.02362 -0.00749 0.35587 -0.02266 0.02689 0.05438 -0.00148 -0.08091 -0.01582 -0.00174 0.03173 0.00200 -0.03663 -0.00998 -0.00542 0.00167 0.00609 0.59937 -0.17558 0.15879 0.00906 0.11520 0.28586 0.11638 -0.00475 -2.29178 -0.04720 -2.06123 -1.83015 -0.38014 -1.09372 -0.09878 0.00073 0.06461 -0.00484 -0.45886 -13.22424 -0.63436 31.37676 -4.39086 -3.91247 -3.68321 -13.72088 0.00009 4.63055 1.66793 7.26869 0.00079 0.00284 0.01898 0.00729 -0.00368 0.00229 0.00967 0.00643 -0.01963 0.00170 0.00579 0.00637 0.01205 0.00225 -0.00107 0.00086 0.00386 0.00184 -0.00852 0.00273 0.05830 0.01394 -0.01800 -0.00461 0.02041 0.00192 0.00571 0.00436 0.02208 -0.00700 0.33268 -0.02118 0.02514 0.05084 -0.00139 -0.07564 -0.01479 -0.00162 0.02966 0.00187 -0.03424 -0.00933 -0.00506 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-0.000004705 0.000058698 -0.000048237 0.000002871 -0.000029124 -0.000007510 -0.000014380 0.000001525 0.000024659 0.000021088 -0.000003689 -0.000018812 -0.000016040 0.000382844 0.000231277 0.000026009 -0.000045726 -0.000046914 -0.000009257 -0.000022438 0.000027135 -0.000020064 -0.000018597 -0.000001557 0.000013124 0.000026390 0.000000937 0.000257243 0.000504609 -0.000074993 -0.000019545 -0.000052475 0.000052304 -0.000007593 0.000009251 -0.000000308 -0.000001437 -0.000020971 -0.000029081 0.000027896 0.000023642 0.000005699 -0.000074050 -0.000004688 -0.000027400 -0.000074719 -0.000002417 -0.000019270 0.000064749 0.000001281 0.000034541 -0.000244410 -0.000011211 -0.000181625 -0.000076446 -0.000017890 -0.000069256 -0.000173458 -0.000033926 -0.000196925 -0.000114360 -0.000093389 -0.000160551 -0.000186563 0.000052040 -0.000088967 -0.000189175 0.000257439 -0.000137599 -0.000040881 0.000032187 -0.000190169 -0.000020121 0.000206940 -0.000074173 -0.000025115 -0.000077918 -0.000173172 -0.000006177 -0.000252490 -0.000046967 -0.000130788 -0.000350661 -0.000050878 -0.000348591 -0.000013725 -0.000323278 -0.000157804 -0.000072857 -0.000021161 -0.000041087 0.000060336 -0.000036091 -0.000014358 -0.000035095 -0.000008133 0.000006266 0.000030529 -0.000010273 0.000001702 -0.000003325 0.000015393 0.000043882 -0.000058967 0.000079903 0.000738886 0.000123537 (Enter /cluster/software/Gaussian/g16_C.01/l716.exe) 3.7709 open 1 1 1 -6317.28652921490 -6317.28653552525 -0.000006310353 -6317.28653548299 0.000000042262 -6317.28653555751 -0.000000074520 -6317.28653556461 -0.000000007094 -6317.28653556824 -0.000000003633 -6317.28653556985 -0.000000001606 -6317.28653557027 -0.000000000422 -6317.28653557011 0.000000000160 -6317.28653557032 -0.000000000209 -6317.28653557014 0.000000000178 -6317.28653557017 -0.000000000033 -6317.28653557 12 3.7709 6.227884045959e+03 -3.503002552200e+04 1.243961728851e+04 Using DIIS extrapolation, IDIIS= 1040. NGot= 104857600 LenX= 103195927 LenY= 102386827 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 3.7709 (Enter /cluster/software/Gaussian/g16_C.01/l716.exe) 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 Ru Co Co Co C H C H C H C H C H C H C H C H C H C H C H C H C H C H C H C C H H H C C H H H C C H H H C C H H H N N N O O O O O O O O O O O O O C H H H H 99 59 59 59 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 13 1 1 1 13 13 1 1 1 13 13 1 1 1 13 13 1 1 1 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 17 13 1 1 1 1 -0.00000 0.03934 0.01422 0.06132 0.00001 0.00001 0.00015 0.00001 -0.00003 0.00000 0.00008 0.00001 -0.00015 0.00000 0.00005 0.00001 0.00010 0.00000 -0.00001 0.00000 0.00003 0.00000 -0.00007 0.00001 0.00051 0.00003 -0.00014 -0.00001 0.00016 0.00000 0.00005 0.00001 0.00017 -0.00001 0.00267 -0.00016 0.00005 0.00010 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59 -0.0535 0.0532 0.9971 0.9142 -0.399 0.0704 0.4017 0.9154 -0.0273 -0.1659 0.0259 0.1399 -20.945 3.276 17.669 -7.474 1.169 6.305 -6.986 1.093 5.894 4 Co 59 0.3546 0.9232 -0.1479 -0.2142 0.2342 0.9483 0.9101 -0.3046 0.2808 -0.0034 -0.0025 0.0059 -0.457 -0.339 0.797 -0.163 -0.121 0.284 -0.153 -0.113 0.266 5 C 13 0.2684 0.862 0.4299 -0.2586 -0.3654 0.8942 0.9279 -0.3512 0.1248 -0.0042 -0.004 0.0082 -2.238 -2.146 4.384 -0.799 -0.766 1.564 -0.747 -0.716 1.462 6 H 1 -0.1992 0.3505 0.9151 0.3287 0.9036 -0.2745 0.9232 -0.2461 0.2952 -0.0016 -0.0015 0.003 -0.211 -0.196 0.407 -0.075 -0.07 0.145 -0.07 -0.065 0.136 7 C 13 0.2623 0.9637 0.0496 -0.1715 -0.004 0.9852 0.9496 -0.267 0.1642 -0.0012 -0.0011 0.0023 -0.615 -0.606 1.222 -0.22 -0.216 0.436 -0.205 -0.202 0.408 8 H 1 0.2235 0.9709 0.0859 -0.4594 0.0272 0.8878 0.8597 -0.2379 0.4521 -0.0012 -9.0E-4 0.0022 -0.168 -0.124 0.291 -0.06 -0.044 0.104 -0.056 -0.041 0.097 9 C 13 0.2126 0.9727 0.0929 -0.4423 0.011 0.8968 0.8713 -0.2317 0.4325 -7.0E-4 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16 H 1 -0.2847 0.0497 0.9573 -0.263 0.9563 -0.1279 0.9218 0.2881 0.2592 -0.0016 -0.0014 0.003 -0.21 -0.194 0.403 -0.075 -0.069 0.144 -0.07 -0.065 0.135 17 C 13 -0.2102 0.3161 0.9251 -0.2075 0.9103 -0.3582 0.9554 0.2673 0.1258 -0.0012 -0.0011 0.0023 -0.62 -0.602 1.222 -0.221 -0.215 0.436 -0.207 -0.201 0.408 18 H 1 -0.3753 -0.1837 0.9085 -0.3361 0.9404 0.0513 0.8638 0.286 0.4147 -0.001 -0.001 0.0021 -0.141 -0.138 0.278 -0.05 -0.049 0.099 -0.047 -0.046 0.093 19 C 13 -0.4159 0.0293 0.9089 -0.2219 0.966 -0.1327 0.8819 0.2569 0.3952 -7.0E-4 -7.0E-4 0.0014 -0.372 -0.362 0.734 -0.133 -0.129 0.262 -0.124 -0.121 0.245 20 H 1 -0.5778 -0.0737 0.8128 -0.2737 0.9557 -0.108 0.7689 0.2849 0.5724 -0.0012 -0.0012 0.0024 -0.167 -0.155 0.321 -0.059 -0.055 0.115 -0.056 -0.052 0.107 21 C 13 -0.6442 -0.1274 0.7542 -0.2796 0.957 -0.0771 0.7119 0.2605 0.6521 -9.0E-4 -8.0E-4 0.0017 -0.455 -0.441 0.896 -0.162 -0.158 0.32 -0.152 -0.147 0.299 22 H 1 -0.3715 -0.6085 0.7013 -0.6193 0.7251 0.3011 0.6918 0.3224 0.6461 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AuxInfo=1/1/N:9,7,11,5,13,55;19,17,21,15,23,56;29,27,31,25,33,57;36,35,62,63;41,40,64,65;46,45,66,67;51,50,68,70;71;2;3;4;69;58;59;60;61;1/E:3*(2,3)(4,5);4*(3,4);;;;;;;;;;/CRV:3*1.3,2.3,3.3,4.3,5.3,6-1;4*2.3,3-1,4-1;1.3;;;;;;;;;/rA:75RuCoCoCoC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3CHHHC3CHHHC3CHHHC3CHHHNNNO3O3O3O3OOOOOOOOOC3HHHH/rB:;;;;s5;s5;s7;s7;s9;s9;s11;s11;s13;;s15;s15;s17;s17;s19;s19;s21;s21;s23;;s25;s25;s27;s27;s29;s29;s31;s31;s33;;s35;s36;s36;s36;;s40;s41;s41;s41;;s45;s46;s46;s46;;s50;s51;s51;s51;s2s5s13;s3s15s23;s4s25s33;s1s2s3;s2s3s4;s1s2s4;s1s3s4;s2s35;s1s35;s2s40;s4s40;s3s45;s4s45;s1s50;s1;s3s50;;s71;s71;s71;s69;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-C11-34 BASTIABS Molecule Name ES64L-G16RevC.01 27-Nov-2021 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 UTPSSh def2SVP Freq #p utpssh/def2svp symmetry=none scf=(maxcycle=128,xqc) freq scrf=(cpcm,solvent=chloroform) empiricaldispersion=gd3 iop(3/175=1219000,3/176=1223000) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 816.1387000000004 AuxInfo=1/1/N:9,7,11,5,13,55;19,17,21,15,23,56;29,27,31,25,33,57;36,35,62,63;41,40,64,65;46,45,66,67;51,50,68,70;71;2;3;4;69;58;59;60;61;1/E:3*(2,3)(4,5);4*(3,4);;;;;;;;;;/CRV:3*1.3,2.3,3.3,4.3,5.3,6-1;4*2.3,3-1,4-1;1.3;;;;;;;;;/rA:75RuCoCoCoC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3CHHHC3CHHHC3CHHHC3CHHHNNNO3O3O3O3OOOOOOOOOC3HHHH/rB:;;;;s5;s5;s7;s7;s9;s9;s11;s11;s13;;s15;s15;s17;s17;s19;s19;s21;s21;s23;;s25;s25;s27;s27;s29;s29;s31;s31;s33;;s35;s36;s36;s36;;s40;s41;s41;s41;;s45;s46;s46;s46;;s50;s51;s51;s51;s2s5s13;s3s15s23;s4s25s33;s1s2s3;s2s3s4;s1s2s4;s1s3s4;s2s35;s1s35;s2s40;s4s40;s3s45;s4s45;s1s50;s1;s3s50;;s71;s71;s71;s69;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; NProcShared=40 LindaWorkers=c11-34-ib chk=ru_ch4_4_ts.chk #p utpssh/def2svp symmetry=none scf=(maxcycle=128,xqc) freq scrf=(cpcm 1/10=4,29=2,30=1,38=1/1,3 2/12=2,15=3,40=1/2 3/5=43,7=101,11=2,14=-4,25=1,30=1,70=2101,71=2,72=7,74=-35,116=2,124=31,140=1,175=1219000,176=1223000/1,2,3 4/5=1/1 5/5=2,7=128,8=3,13=1,38=6,53=7,98=1/2,8 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1,31=1/1,2,10 10/6=1,31=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7/8=1,10=1,25=1,30=1/1,2,3,16 1/10=4,30=1/3 99//99 Molecule Name Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 102 59 59 59 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 12 1 1 1 12 12 1 1 1 12 12 1 1 1 12 12 1 1 1 14 14 14 16 16 16 16 16 16 16 16 16 16 16 16 16 12 1 1 1 1 101.9037000 58.9331978 58.9331978 58.9331978 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 14.0030740 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 0 7 7 7 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 0 1 1 1 0 0 1 1 1 0 0 1 1 1 0 0 1 1 1 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 221.7600000 25.3800000 25.3800000 25.3800000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 4.5500000 4.5500000 4.5500000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /cluster/software/Gaussian/g16_C.01/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 7 7 9 9 11 11 13 13 15 15 15 17 17 19 19 21 21 23 23 25 25 25 27 27 29 29 31 31 33 33 35 35 35 36 36 36 40 40 40 41 41 41 45 45 45 46 46 46 50 50 50 51 51 51 69 71 71 71 71 2 3 58 60 61 63 68 69 4 55 58 59 60 62 64 4 56 58 59 61 66 70 57 59 60 61 65 67 6 7 55 8 9 10 11 12 13 14 55 16 17 56 18 19 20 21 22 23 24 56 26 27 57 28 29 30 31 32 33 34 57 36 62 63 37 38 39 41 64 65 42 43 44 46 66 67 47 48 49 51 68 70 52 53 54 75 72 73 74 75 2.8099 2.8093 2.0227 1.9479 1.9503 2.073 2.0638 1.8904 2.7015 1.9228 1.8876 1.8574 1.896 1.9551 1.9423 2.7045 1.9272 1.8827 1.8585 1.883 1.9453 1.9673 1.9424 1.8653 1.8918 1.8856 1.9275 1.9305 1.0898 1.3934 1.3435 1.0909 1.3981 1.0921 1.398 1.0909 1.3932 1.0896 1.3434 1.0899 1.3933 1.3435 1.0909 1.3982 1.0921 1.3981 1.0909 1.3934 1.0901 1.3433 1.0903 1.3934 1.3435 1.0909 1.398 1.0922 1.3979 1.0909 1.3935 1.0896 1.3424 1.5114 1.2667 1.276 1.102 1.0978 1.0974 1.5129 1.2703 1.2712 1.0978 1.0973 1.1022 1.513 1.2695 1.2724 1.0978 1.1022 1.0973 1.5103 1.2823 1.2625 1.1019 1.0967 1.0985 1.1049 1.0946 1.0953 1.0953 1.4922 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 2 2 2 2 2 3 3 3 3 58 58 58 58 60 60 60 61 61 61 63 63 68 1 1 1 1 1 4 4 4 4 55 55 55 55 58 58 58 59 59 60 60 62 1 1 1 1 1 4 4 4 4 56 56 56 56 58 58 58 59 59 61 61 66 2 2 2 2 2 3 3 3 3 57 57 57 57 59 59 59 59 60 60 61 65 6 6 7 5 5 8 7 7 10 9 9 12 11 11 14 16 16 17 15 15 18 17 17 20 19 19 22 21 21 24 26 26 27 25 25 28 27 27 30 29 29 32 31 31 34 36 36 62 35 35 35 37 37 38 41 41 64 40 40 40 42 42 43 46 46 66 45 45 45 47 47 48 51 51 68 50 50 50 52 52 53 2 2 5 3 3 15 4 4 25 2 2 1 1 2 1 2 4 3 4 1 1 3 72 72 72 73 73 74 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 7 7 7 9 9 9 11 11 11 13 13 13 15 15 15 17 17 17 19 19 19 21 21 21 23 23 23 25 25 25 27 27 27 29 29 29 31 31 31 33 33 33 35 35 35 36 36 36 36 36 36 40 40 40 41 41 41 41 41 41 45 45 45 46 46 46 46 46 46 50 50 50 51 51 51 51 51 51 55 55 55 56 56 56 57 57 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 71 71 71 71 71 3 61 63 68 69 60 63 68 69 60 61 63 68 61 63 69 63 68 69 68 69 69 4 55 59 62 64 55 58 62 64 58 59 62 64 59 60 62 60 64 62 64 64 4 56 59 66 70 56 58 66 70 58 59 66 70 59 61 70 61 66 66 70 70 3 57 61 65 67 57 60 65 67 60 61 65 67 60 61 65 67 61 65 67 67 7 55 55 8 9 9 10 11 11 12 13 13 14 55 55 17 56 56 18 19 19 20 21 21 22 23 23 24 56 56 27 57 57 28 29 29 30 31 31 32 33 33 34 57 57 62 63 63 37 38 39 38 39 39 64 65 65 42 43 44 43 44 44 66 67 67 47 48 49 48 49 49 68 70 70 52 53 54 53 54 54 5 13 13 15 23 23 25 33 33 3 3 4 4 35 35 40 40 45 45 50 75 50 73 74 75 74 75 75 59.894 83.795 80.0854 128.7265 139.8178 84.264 128.1788 81.3821 139.6274 83.9297 83.4111 86.2761 86.61 79.3808 87.0122 98.3584 163.6953 88.6955 98.6137 103.2938 92.1722 91.4537 63.9544 137.6189 89.1122 84.6492 131.1457 135.7389 89.7725 133.3785 83.0684 92.2709 92.8931 90.7549 91.194 82.7394 89.1546 91.8648 87.4933 90.387 88.9887 87.4148 94.7984 63.9265 137.4788 89.1092 131.2982 83.3943 136.1743 89.7892 83.1705 132.2191 92.1815 93.3621 91.1657 91.521 82.8468 89.1899 91.2097 87.1884 90.2825 87.5172 88.0646 95.3869 62.5143 135.1553 88.0897 84.3494 132.1781 135.4927 88.3181 132.6194 84.1914 90.9652 91.7189 91.8795 92.6649 87.3893 86.912 89.2974 88.8275 82.4566 90.3803 90.4439 96.4832 122.9586 115.5017 121.5357 119.6499 118.925 121.4235 120.5406 118.9105 120.5478 121.4401 118.899 119.6588 122.8283 121.5707 115.5999 122.8363 115.5809 121.5812 119.6817 118.8929 121.4237 120.5401 118.9191 120.5394 121.422 118.8942 119.6818 122.9442 121.583 115.4683 122.8283 115.5112 121.651 119.6783 118.9006 121.4195 120.5634 118.8786 120.5575 121.4737 118.8653 119.6589 122.5224 121.7111 115.7665 117.0459 116.0673 126.8584 108.3069 110.3739 110.4104 108.1897 108.5203 110.9527 116.4026 116.0711 127.5071 110.2812 110.5471 108.2901 110.8905 108.1668 108.5784 116.2969 116.1303 127.5528 110.3093 108.198 110.6232 108.1478 110.9289 108.54 115.319 117.5322 127.1294 108.1274 110.7592 110.0422 109.1497 107.7594 110.907 119.6423 120.2045 120.1517 120.0668 119.8098 120.1208 119.1912 120.6648 119.9893 96.1444 98.0307 99.0111 99.1399 124.3446 123.9253 122.8458 122.0628 122.7268 122.1488 122.4881 110.3322 125.3178 115.7995 116.0818 98.9042 115.8654 102.7409 103.7949 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 58 60 55 58 59 56 58 59 57 60 61 69 58 60 55 58 59 56 58 59 57 60 61 69 1 1 2 2 2 3 3 3 4 4 4 75 1 1 2 2 2 3 3 3 4 4 4 75 69 68 60 64 62 61 66 70 59 67 65 71 69 68 60 64 62 61 66 70 59 67 65 71 60 3 58 4 1 58 4 1 60 3 2 3 60 3 58 4 1 58 4 1 60 3 2 3 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 182.2881 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 165.6461 181.4255 172.8409 173.7614 181.3714 172.9596 172.5035 178.3545 172.5095 172.4391 173.4255 178.3275 178.1966 180.2096 177.5885 181.4419 179.6155 182.531 179.0275 181.1656 182.4445 177.4937 183.0817 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 3 3 3 3 3 61 61 61 61 61 63 63 63 63 63 68 68 68 68 68 69 69 69 69 69 2 2 2 2 2 60 60 60 60 60 63 63 63 63 63 68 68 68 68 68 69 69 69 69 69 3 58 61 63 69 2 58 60 63 68 69 2 3 58 60 61 68 69 2 3 58 61 63 69 2 3 60 61 63 68 1 1 1 1 1 55 55 55 55 55 58 58 58 58 58 62 62 62 62 62 64 64 64 64 64 1 1 4 4 58 58 59 59 62 62 64 64 4 55 59 60 62 1 55 58 60 64 1 4 55 58 60 64 1 4 55 59 60 62 1 1 1 1 1 56 56 56 56 56 58 58 58 58 58 66 66 66 66 66 70 70 70 70 70 1 1 4 4 58 58 59 59 66 66 70 70 4 56 59 61 70 1 56 58 61 66 1 4 56 59 61 70 1 4 56 58 61 66 2 2 3 3 60 60 61 61 65 65 67 67 3 57 59 61 65 2 57 59 60 67 2 3 57 59 60 67 2 3 57 59 61 65 6 6 55 55 6 6 7 7 5 5 8 8 7 7 10 10 9 9 12 12 11 11 14 14 16 16 56 56 16 16 17 17 15 15 18 18 17 17 20 20 19 19 22 22 21 21 24 24 26 26 57 57 26 26 27 27 25 25 28 28 27 27 30 30 29 29 32 32 31 31 34 34 62 62 62 63 63 63 36 63 36 62 64 64 64 65 65 65 41 65 41 64 66 66 66 67 67 67 46 67 46 66 68 68 68 70 70 70 51 70 51 68 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 7 7 7 7 9 9 9 9 11 11 11 11 13 13 13 13 15 15 15 15 15 15 15 15 17 17 17 17 19 19 19 19 21 21 21 21 23 23 23 23 25 25 25 25 25 25 25 25 27 27 27 27 29 29 29 29 31 31 31 31 33 33 33 33 35 35 35 35 35 35 35 35 35 35 40 40 40 40 40 40 40 40 40 40 45 45 45 45 45 45 45 45 45 45 50 50 50 50 50 50 50 50 50 50 69 69 69 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 60 60 60 60 60 61 61 61 61 61 61 63 63 63 63 63 63 63 68 68 68 68 68 68 69 69 69 69 69 69 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 55 55 55 55 55 55 55 55 55 55 55 55 58 58 58 58 58 59 59 59 59 59 62 62 62 62 62 62 64 64 64 64 64 64 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 56 56 56 56 56 56 56 56 56 56 56 56 58 58 58 58 58 59 59 59 59 59 66 66 66 66 66 66 70 70 70 70 70 70 57 57 57 57 57 57 57 57 57 57 57 57 60 60 60 60 60 61 61 61 61 61 65 65 65 65 65 65 67 67 67 67 67 67 7 7 7 7 55 55 55 55 9 9 9 9 11 11 11 11 13 13 13 13 55 55 55 55 17 17 17 17 56 56 56 56 19 19 19 19 21 21 21 21 23 23 23 23 56 56 56 56 27 27 27 27 57 57 57 57 29 29 29 29 31 31 31 31 33 33 33 33 57 57 57 57 36 36 36 36 36 36 62 62 63 63 41 41 41 41 41 41 64 64 65 65 46 46 46 46 46 46 66 66 67 67 51 51 51 51 51 51 68 68 70 70 71 71 71 4 55 59 62 64 4 55 59 62 64 4 55 59 62 64 4 55 59 62 64 4 55 59 62 64 4 56 59 66 70 4 56 59 66 70 4 56 59 66 70 4 56 59 66 70 4 56 59 66 70 4 4 4 4 4 4 4 4 4 4 4 35 35 35 35 35 35 35 50 50 50 50 50 50 75 75 75 75 75 75 3 57 61 65 67 3 57 61 65 67 3 57 61 65 67 3 57 61 65 67 3 57 61 65 67 5 13 5 13 5 13 5 13 5 13 5 13 3 3 3 3 3 3 3 3 3 3 35 35 35 35 35 35 40 40 40 40 40 40 2 57 60 65 67 2 57 60 65 67 2 57 60 65 67 2 57 60 65 67 2 57 60 65 67 15 23 15 23 15 23 15 23 15 23 15 23 2 2 2 2 2 2 2 2 2 2 45 45 45 45 45 45 50 50 50 50 50 50 25 33 25 33 25 33 25 33 25 33 25 33 1 1 1 1 1 1 1 1 1 1 40 40 40 40 40 40 45 45 45 45 45 45 8 9 8 9 2 13 2 13 10 11 10 11 12 13 12 13 14 55 14 55 2 5 2 5 18 19 18 19 3 23 3 23 20 21 20 21 22 23 22 23 24 56 24 56 3 15 3 15 28 29 28 29 4 33 4 33 30 31 30 31 32 33 32 33 34 57 34 57 4 25 4 25 37 38 39 37 38 39 2 2 1 1 42 43 44 42 43 44 2 2 4 4 47 48 49 47 48 49 3 3 4 4 52 53 54 52 53 54 1 1 3 3 72 73 74 -67.4224 62.893 -30.4266 148.1315 -120.1647 -30.7227 99.5927 6.2731 -175.1688 -83.465 146.818 -82.8666 -176.1862 2.3719 94.0757 -114.0302 16.2852 -77.0344 101.5237 -166.7725 65.2903 -164.3942 102.2861 -79.1558 12.548 67.3067 -63.5968 30.4073 120.0009 -148.6202 30.5172 -100.3863 -6.3821 83.2114 174.5903 112.1437 -18.7598 75.2444 164.8379 -103.7831 -147.6794 81.4171 175.4213 -94.9852 -3.6063 -65.6484 163.4481 -102.5477 -12.9542 78.4247 -41.3162 -83.6 0.8069 -170.1686 98.0725 41.7642 84.2193 -0.8098 33.1049 170.9568 -97.7702 -2.035 -40.2944 -44.0909 40.0133 6.7047 -129.7169 138.2746 44.5532 5.0725 47.0526 -36.423 132.4152 -135.0082 -128.7105 -27.6128 -118.5785 -38.1412 154.1239 50.7593 69.2815 -58.8089 31.7083 -145.7854 120.576 -63.2915 168.6181 -100.8647 81.6416 -11.997 29.7294 -98.3609 -7.8438 174.6625 81.024 122.0804 -6.0099 84.5072 -92.9865 173.3749 -147.859 84.0506 174.5677 -2.926 -96.5645 37.9716 -142.4678 138.992 -41.4474 46.9863 -133.4531 129.8264 -50.6131 -44.9101 134.6505 -139.7257 39.8348 -39.4656 96.3071 3.6781 -83.9025 -172.8631 41.9756 -95.6644 -3.7413 85.7252 173.1205 -3.7522 -49.7044 134.0423 41.7454 -47.3757 -134.696 49.6802 3.5963 -132.3809 -39.479 47.9942 136.7612 -69.3499 58.3017 -31.3642 -120.3331 146.1913 63.1151 -169.2334 101.1007 12.1318 -81.3438 -29.8162 97.8354 8.1695 -80.7994 -174.275 147.6528 -84.6957 -174.3616 96.6695 3.1939 -121.2584 6.3932 -83.2727 -172.2416 94.2828 -41.1829 139.3943 -142.5452 38.032 -50.5756 130.0017 -133.534 47.0432 136.1144 -43.3083 40.6934 -138.7294 39.4147 -96.7918 -3.6751 83.5928 171.6397 -41.9866 95.5301 3.7504 -85.7853 -173.2856 -49.0918 -3.0729 133.3394 39.9707 -47.2028 -135.0226 3.65 49.0198 -134.0082 -41.7933 47.3551 134.6771 -31.4163 144.0639 -126.5366 48.9435 -37.954 137.5262 -120.4353 55.0448 52.4583 -132.0616 149.0401 -35.4797 43.052 -92.4337 86.4008 -0.8274 175.6801 -43.5589 91.5731 -86.9457 0.8267 -175.7474 3.1883 47.0269 -132.0156 46.347 -41.0373 135.087 -48.4267 -4.3309 131.1391 -47.5045 39.3976 -136.664 0.5942 -178.9492 179.8406 0.2972 -2.0738 178.3654 178.6268 -0.934 179.8938 0.2787 0.3587 -179.2563 179.2478 -0.2267 -0.3672 -179.8417 179.1821 -0.4058 -0.3019 -179.8898 -178.5688 0.9895 1.8152 -178.6265 -0.4576 179.0637 -179.9733 -0.452 2.1169 -178.4621 -178.3342 1.0868 -179.8419 -0.2662 -0.3293 179.2464 -179.1385 0.3516 0.4372 179.9273 -178.915 0.2738 0.5842 179.773 178.4264 -0.996 -2.3276 178.2499 -1.085 178.4716 -179.914 -0.3574 -2.6723 -178.1836 176.2374 0.7261 -179.7424 0.0164 -0.1939 179.5649 -179.5089 -0.0431 0.2499 179.7158 -179.629 0.4138 -0.1532 179.8896 -176.1993 -0.7551 3.8408 179.285 -91.7652 149.9653 26.9266 86.4279 -31.8416 -154.8803 -178.4885 3.5401 -178.0164 -0.0278 148.439 25.4492 -93.3825 -33.0334 -156.0232 85.1451 175.8215 -2.5112 -179.9146 -1.5771 32.7305 -85.3863 155.8405 -148.7708 93.1125 -25.6608 179.1218 0.822 -174.6703 3.632 -76.0909 164.3562 41.3652 102.4226 -17.1304 -140.1214 173.93 -4.4165 -179.1604 -0.8459 26.7829 -91.4292 146.5568 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 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analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. -0.06440 0.00012 0.00015 0.00026 0.00037 0.00077 0.00117 0.00238 0.00300 0.00465 0.00477 0.00480 0.00502 0.00520 0.00556 0.00568 0.00572 0.00617 0.00675 0.00732 0.00812 0.00995 0.01007 0.01254 0.01355 0.01405 0.01470 0.01538 0.01574 0.01595 0.01604 0.01708 0.01722 0.01723 0.01849 0.01892 0.01985 0.01993 0.02016 0.02046 0.02065 0.02117 0.02375 0.02392 0.02409 0.02497 0.02513 0.02518 0.02592 0.02645 0.02653 0.02763 0.02924 0.02966 0.02971 0.02988 0.02994 0.03008 0.03013 0.03139 0.03343 0.03401 0.03439 0.03462 0.03482 0.03728 0.03890 0.04044 0.04354 0.04415 0.04546 0.04850 0.04899 0.05332 0.05340 0.05349 0.05355 0.05479 0.05602 0.05605 0.05612 0.05627 0.05737 0.06228 0.07091 0.07356 0.07683 0.07726 0.07896 0.07918 0.08000 0.08071 0.08197 0.08386 0.08597 0.09196 0.09502 0.09683 0.09890 0.10076 0.10215 0.10380 0.10572 0.10578 0.10584 0.10963 0.10982 0.11093 0.11193 0.11435 0.11998 0.12008 0.12015 0.12193 0.12198 0.12217 0.12245 0.12282 0.12531 0.12542 0.12549 0.12606 0.12686 0.12907 0.13020 0.13077 0.13102 0.13130 0.13131 0.13184 0.13214 0.13523 0.13545 0.13552 0.13555 0.13638 0.14453 0.15070 0.16076 0.16282 0.16744 0.18402 0.18615 0.19098 0.19147 0.19150 0.19197 0.19226 0.20378 0.20525 0.20555 0.20582 0.20728 0.20767 0.21337 0.21501 0.21538 0.21746 0.26762 0.29111 0.29154 0.29544 0.29600 0.29887 0.30086 0.30094 0.33932 0.33939 0.34009 0.34028 0.34766 0.34889 0.34900 0.34911 0.34986 0.35022 0.35030 0.35142 0.35436 0.35720 0.35899 0.36112 0.36119 0.36133 0.36372 0.36373 0.36387 0.36465 0.36468 0.36479 0.36781 0.36842 0.36901 0.36930 0.36984 0.36990 0.42860 0.42884 0.42964 0.43673 0.43846 0.43866 0.48525 0.48622 0.48639 0.48702 0.49973 0.50833 0.50961 0.50984 0.51315 0.51516 0.52292 0.52503 0.54671 0.54798 0.55075 0.55118 0.55639 Angle between quadratic step and forces= 83.22 degrees. 1 2 0.00017402 0.00000008 0.00000008 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 A218 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 D347 5.30987 5.30874 3.82241 3.68102 3.68547 3.91745 3.90011 3.57243 5.10515 3.63360 3.56713 3.50999 3.58296 3.69459 3.67046 5.11067 3.64184 3.55770 3.51200 3.55828 3.67605 3.71772 3.67058 3.52500 3.57490 3.56331 3.64237 3.64810 2.05947 2.63310 2.53877 2.06148 2.64199 2.06374 2.64188 2.06145 2.63284 2.05900 2.53875 2.05957 2.63301 2.53888 2.06151 2.64216 2.06377 2.64205 2.06151 2.63316 2.05995 2.53850 2.06032 2.63311 2.53885 2.06158 2.64190 2.06388 2.64160 2.06157 2.63339 2.05907 2.53677 2.85607 2.39364 2.41129 2.08252 2.07450 2.07374 2.85903 2.40054 2.40222 2.07456 2.07353 2.08283 2.85913 2.39903 2.40451 2.07460 2.08288 2.07357 2.85411 2.42327 2.38585 2.08233 2.07240 2.07593 2.08804 2.06855 2.06977 2.06991 2.81980 1.04535 1.46250 1.39775 2.24670 2.44028 1.47068 2.23714 1.42039 2.43696 1.46485 1.45580 1.50580 1.51163 1.38546 1.51865 1.71668 2.85702 1.54803 1.72113 1.80282 1.60871 1.59617 1.11621 2.40190 1.55530 1.47741 2.28892 2.36909 1.56683 2.32789 1.44982 1.61043 1.62129 1.58397 1.59164 1.44407 1.55604 1.60334 1.52705 1.57755 1.55315 1.52568 1.65454 1.11573 2.39946 1.55525 2.29159 1.45550 2.37669 1.56712 1.45160 2.30766 1.60887 1.62948 1.59114 1.59734 1.44595 1.55666 1.59191 1.52173 1.57573 1.52746 1.53702 1.66482 1.09108 2.35890 1.53746 1.47217 2.30694 2.36479 1.54144 2.31465 1.46942 1.58764 1.60080 1.60360 1.61731 1.52523 1.51690 1.55853 1.55033 1.43914 1.57743 1.57854 1.68395 2.14603 2.01589 2.12120 2.08828 2.07563 2.11924 2.10383 2.07538 2.10396 2.11953 2.07518 2.08844 2.14376 2.12181 2.01760 2.14390 2.01727 2.12199 2.08884 2.07507 2.11924 2.10382 2.07553 2.10381 2.11921 2.07509 2.08884 2.14578 2.12202 2.01530 2.14376 2.01605 2.12321 2.08878 2.07521 2.11917 2.10423 2.07482 2.10413 2.12012 2.07459 2.08844 2.13842 2.12426 2.02051 2.04284 2.02576 2.21410 1.89031 1.92639 1.92703 1.88827 1.89404 1.93649 2.03161 2.02582 2.22542 1.92477 1.92941 1.89002 1.93540 1.88787 1.89505 2.02976 2.02686 2.22622 1.92526 1.88841 1.93074 1.88754 1.93607 1.89438 2.01270 2.05132 2.21883 1.88718 1.93311 1.92060 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0.06546 -1.49724 -3.02440 -0.85681 -0.05363 2.32721 0.69762 -0.82384 -2.35659 0.06370 0.85556 -2.33888 -0.72943 0.82650 2.35056 -0.54832 2.51439 -2.20848 0.85423 -0.66242 2.40028 -2.10199 0.96071 0.91557 -2.30491 2.60124 -0.61924 0.75140 -1.61327 1.50798 -0.01444 3.06620 -0.76025 1.59825 -1.51749 0.01443 -3.06737 0.05565 0.82077 -2.30411 0.80891 -0.71624 2.35771 -0.84521 -0.07559 2.28881 -0.82911 0.68762 -2.38524 0.01037 -3.12325 3.13881 0.00519 -0.03619 3.11306 3.11763 -0.01630 3.13974 0.00486 0.00626 -3.12861 3.12846 -0.00396 -0.00641 -3.13883 3.12732 -0.00708 -0.00527 -3.13967 -3.11661 0.01727 0.03168 -3.11762 -0.00799 3.12525 -3.14113 -0.00789 0.03695 -3.11475 -3.11252 0.01897 -3.13883 -0.00465 -0.00575 3.12844 -3.12656 0.00614 0.00763 3.14032 -3.12266 0.00478 0.01020 3.13763 3.11413 -0.01738 -0.04062 3.11105 -0.01894 3.11492 -3.14009 -0.00624 -0.04664 -3.10989 3.07592 0.01267 -3.13710 0.00029 -0.00338 3.13400 -3.13302 -0.00075 0.00436 3.13663 -3.13512 0.00722 -0.00267 3.13967 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2.01530 2.14376 2.01605 2.12321 2.08878 2.07521 2.11917 2.10423 2.07482 2.10413 2.12012 2.07459 2.08844 2.13841 2.12426 2.02051 2.04283 2.02577 2.21410 1.89031 1.92640 1.92702 1.88828 1.89402 1.93649 2.03158 2.02585 2.22542 1.92481 1.92938 1.89001 1.93541 1.88792 1.89499 2.02977 2.02685 2.22622 1.92526 1.88841 1.93074 1.88754 1.93607 1.89438 2.01269 2.05133 2.21883 1.88718 1.93312 1.92059 1.90503 1.88075 1.93569 2.08815 2.09796 2.09704 2.09556 2.09108 2.09650 2.08025 2.10602 2.09421 1.67804 1.71096 1.72807 1.73032 2.17022 2.16291 2.14407 2.13040 2.14199 2.13190 2.13782 1.92566 2.18721 2.02109 2.02601 1.72620 2.02223 1.79317 1.81156 3.18151 2.89107 3.16648 3.01664 3.03271 3.16553 3.01871 3.01075 3.11286 3.01086 3.00963 3.02684 3.11241 3.11012 3.14525 3.09951 3.16676 3.13488 3.18577 3.12462 3.16194 3.18425 3.09785 3.19538 -1.17674 1.09769 -0.53105 2.58538 -2.09727 -0.53622 1.73822 0.10948 -3.05728 -1.45674 2.56246 -1.44629 -3.07503 0.04140 1.64193 -1.99021 0.28422 -1.34451 1.77192 -2.91073 1.13951 -2.86924 1.78521 -1.38154 0.21899 1.17472 -1.10997 0.53071 2.09441 -2.59391 0.53263 -1.75207 -0.11139 1.45232 3.04718 1.95728 -0.32742 1.31326 2.87697 -1.81135 -2.57749 1.42100 3.06168 -1.65781 -0.06294 -1.14575 2.85274 -1.78977 -0.22607 1.36880 -0.72111 -1.45910 0.01407 -2.97001 1.71168 0.72893 1.46991 -0.01413 0.57781 2.98376 -1.70639 -0.03552 -0.70327 -0.76953 0.69836 0.11700 -2.26398 2.41333 0.77760 0.08853 0.82122 -0.63570 2.31108 -2.35633 -2.24635 -0.48190 -2.06953 -0.66563 2.69003 0.88598 1.20919 -1.02640 0.55342 -2.54443 2.10446 -1.10465 2.94295 -1.76042 1.42492 -0.20939 0.51888 -1.71671 -0.13690 3.04844 1.41414 2.13071 -0.10489 1.47493 -1.62291 3.02597 -2.58063 1.46696 3.04678 -0.05106 -1.68537 0.66274 -2.48653 2.42588 -0.72339 0.82007 -2.32919 2.26591 -0.88336 -0.78382 2.35010 -2.43867 0.69525 -0.68881 1.68087 0.06419 -1.46438 -3.01703 0.73262 -1.66966 -0.06530 1.49619 3.02152 -0.06549 -0.86751 2.33948 0.72859 -0.82686 -2.35089 0.86708 0.06277 -2.31048 -0.68904 0.83766 2.38693 -1.21038 1.01754 -0.54741 -2.10021 2.55152 1.10156 -2.95370 1.76454 0.21174 -1.41971 -0.52039 1.70753 0.14258 -1.41021 -3.04167 2.57703 -1.47823 -3.04319 1.68721 0.05575 -2.11635 0.11157 -1.45338 -3.00618 1.64555 -0.71877 2.43289 -2.48788 0.66379 -0.88270 2.26896 -2.33060 0.82106 2.37565 -0.75587 0.71024 -2.42129 0.68792 -1.68933 -0.06414 1.45897 2.99568 -0.73281 1.66731 0.06545 -1.49724 -3.02441 -0.85682 -0.05364 2.32721 0.69761 -0.82385 -2.35659 0.06371 0.85556 -2.33888 -0.72942 0.82651 2.35056 -0.54813 2.51455 -2.20828 0.85440 -0.66223 2.40045 -2.10181 0.96088 0.91575 -2.30475 2.60143 -0.61908 0.75140 -1.61326 1.50798 -0.01443 3.06621 -0.76025 1.59824 -1.51749 0.01442 -3.06737 0.05564 0.82076 -2.30411 0.80890 -0.71624 2.35770 -0.84521 -0.07559 2.28880 -0.82912 0.68761 -2.38525 0.01037 -3.12325 3.13881 0.00519 -0.03620 3.11306 3.11762 -0.01630 3.13974 0.00486 0.00626 -3.12861 3.12846 -0.00396 -0.00641 -3.13883 3.12732 -0.00708 -0.00527 -3.13967 -3.11661 0.01727 0.03169 -3.11762 -0.00799 3.12525 -3.14113 -0.00789 0.03694 -3.11475 -3.11252 0.01897 -3.13883 -0.00465 -0.00575 3.12844 -3.12656 0.00614 0.00763 3.14032 -3.12265 0.00478 0.01020 3.13763 3.11413 -0.01738 -0.04062 3.11105 -0.01895 3.11491 -3.14009 -0.00624 -0.04666 -3.10989 3.07589 0.01267 -3.13710 0.00029 -0.00338 3.13400 -3.13303 -0.00076 0.00436 3.13663 -3.13513 0.00722 -0.00269 3.13967 -3.07523 -0.01317 0.06708 3.12913 -1.60124 2.61772 0.47029 1.50881 -0.55541 -2.70284 -3.11521 0.06179 -3.10697 -0.00049 2.59184 0.44526 -1.62865 -0.57546 -2.72204 1.48723 3.06864 -0.04384 -3.14007 -0.02751 0.57117 -1.49036 2.71985 -2.59662 1.62503 -0.44795 3.12627 0.01435 -3.04857 0.06339 -1.32787 2.86871 0.72212 1.78779 -0.29882 -2.44541 3.03567 -0.07707 -3.12696 -0.01478 0.46745 -1.59574 2.55790 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000003 0.000000 0.001924 0.000174 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.087015e-09 Optimization completed on the basis of negligible forces. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 R60 R61 R62 R63 R64 R65 R66 R67 R68 R69 R70 R71 R72 R73 R74 R75 R76 R77 R78 R79 R80 R81 R82 R83 R84 R85 R86 R87 R88 R89 R90 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 7 7 9 9 11 11 13 13 15 15 15 17 17 19 19 21 21 23 23 25 25 25 27 27 29 29 31 31 33 33 35 35 35 36 36 36 40 40 40 41 41 41 45 45 45 46 46 46 50 50 50 51 51 51 69 71 71 71 71 2 3 58 60 61 63 68 69 4 55 58 59 60 62 64 4 56 58 59 61 66 70 57 59 60 61 65 67 6 7 55 8 9 10 11 12 13 14 55 16 17 56 18 19 20 21 22 23 24 56 26 27 57 28 29 30 31 32 33 34 57 36 62 63 37 38 39 41 64 65 42 43 44 46 66 67 47 48 49 51 68 70 52 53 54 75 72 73 74 75 2.8099 2.8093 2.0227 1.9479 1.9503 2.073 2.0638 1.8904 2.7015 1.9228 1.8876 1.8574 1.896 1.9551 1.9423 2.7045 1.9272 1.8827 1.8585 1.883 1.9453 1.9673 1.9424 1.8653 1.8918 1.8856 1.9275 1.9305 1.0898 1.3934 1.3435 1.0909 1.3981 1.0921 1.398 1.0909 1.3932 1.0896 1.3434 1.0899 1.3933 1.3435 1.0909 1.3982 1.0921 1.3981 1.0909 1.3934 1.0901 1.3433 1.0903 1.3934 1.3435 1.0909 1.398 1.0922 1.3979 1.0909 1.3935 1.0896 1.3424 1.5114 1.2667 1.276 1.102 1.0978 1.0974 1.5129 1.2703 1.2712 1.0978 1.0973 1.1022 1.513 1.2695 1.2724 1.0978 1.1022 1.0973 1.5103 1.2823 1.2625 1.1019 1.0967 1.0985 1.1049 1.0946 1.0953 1.0953 1.4922 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 A120 A121 A122 A123 A124 A125 A126 A127 A128 A129 A130 A131 A132 A133 A134 A135 A136 A137 A138 A139 A140 A141 A142 A143 A144 A145 A146 A147 A148 A149 A150 A151 A152 A153 A154 A155 A156 A157 A158 A159 A160 A161 A162 A163 A164 A165 A166 A167 A168 A169 A170 A171 A172 A173 A174 A175 A176 A177 A178 A179 A180 A181 A182 A183 A184 A185 A186 A187 A188 A189 A190 A191 A192 A193 A194 2 2 2 2 2 3 3 3 3 58 58 58 58 60 60 60 61 61 61 63 63 68 1 1 1 1 1 4 4 4 4 55 55 55 55 58 58 58 59 59 60 60 62 1 1 1 1 1 4 4 4 4 56 56 56 56 58 58 58 59 59 61 61 66 2 2 2 2 2 3 3 3 3 57 57 57 57 59 59 59 59 60 60 61 65 6 6 7 5 5 8 7 7 10 9 9 12 11 11 14 16 16 17 15 15 18 17 17 20 19 19 22 21 21 24 26 26 27 25 25 28 27 27 30 29 29 32 31 31 34 36 36 62 35 35 35 37 37 38 41 41 64 40 40 40 42 42 43 46 46 66 45 45 45 47 47 48 51 51 68 50 50 50 52 52 53 2 2 5 3 3 15 4 4 25 2 2 1 1 2 1 2 4 3 4 1 1 3 72 72 72 73 73 74 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 7 7 7 9 9 9 11 11 11 13 13 13 15 15 15 17 17 17 19 19 19 21 21 21 23 23 23 25 25 25 27 27 27 29 29 29 31 31 31 33 33 33 35 35 35 36 36 36 36 36 36 40 40 40 41 41 41 41 41 41 45 45 45 46 46 46 46 46 46 50 50 50 51 51 51 51 51 51 55 55 55 56 56 56 57 57 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 71 71 71 71 71 3 61 63 68 69 60 63 68 69 60 61 63 68 61 63 69 63 68 69 68 69 69 4 55 59 62 64 55 58 62 64 58 59 62 64 59 60 62 60 64 62 64 64 4 56 59 66 70 56 58 66 70 58 59 66 70 59 61 70 61 66 66 70 70 3 57 61 65 67 57 60 65 67 60 61 65 67 60 61 65 67 61 65 67 67 7 55 55 8 9 9 10 11 11 12 13 13 14 55 55 17 56 56 18 19 19 20 21 21 22 23 23 24 56 56 27 57 57 28 29 29 30 31 31 32 33 33 34 57 57 62 63 63 37 38 39 38 39 39 64 65 65 42 43 44 43 44 44 66 67 67 47 48 49 48 49 49 68 70 70 52 53 54 53 54 54 5 13 13 15 23 23 25 33 33 3 3 4 4 35 35 40 40 45 45 50 75 50 73 74 75 74 75 75 59.894 83.795 80.0854 128.7265 139.8178 84.264 128.1788 81.3821 139.6274 83.9297 83.4111 86.2761 86.61 79.3808 87.0122 98.3584 163.6953 88.6955 98.6137 103.2938 92.1722 91.4537 63.9544 137.6189 89.1122 84.6492 131.1457 135.7389 89.7725 133.3785 83.0684 92.2709 92.8931 90.7549 91.194 82.7394 89.1546 91.8648 87.4933 90.387 88.9887 87.4148 94.7984 63.9265 137.4788 89.1092 131.2982 83.3943 136.1743 89.7892 83.1705 132.2191 92.1815 93.3621 91.1657 91.521 82.8468 89.1899 91.2097 87.1884 90.2825 87.5172 88.0646 95.3869 62.5143 135.1553 88.0897 84.3494 132.1781 135.4927 88.3181 132.6194 84.1914 90.9652 91.7189 91.8795 92.6649 87.3893 86.912 89.2974 88.8275 82.4566 90.3803 90.4439 96.4832 122.9586 115.5017 121.5357 119.6499 118.925 121.4235 120.5406 118.9105 120.5478 121.4401 118.899 119.6588 122.8283 121.5707 115.5999 122.8363 115.5809 121.5812 119.6817 118.8929 121.4237 120.5401 118.9191 120.5394 121.422 118.8942 119.6818 122.9442 121.583 115.4683 122.8283 115.5112 121.651 119.6783 118.9006 121.4195 120.5634 118.8786 120.5575 121.4737 118.8653 119.6589 122.5224 121.7111 115.7665 117.0459 116.0673 126.8584 108.3069 110.3739 110.4104 108.1897 108.5203 110.9527 116.4026 116.0711 127.5071 110.2812 110.5471 108.2901 110.8905 108.1668 108.5784 116.2969 116.1303 127.5528 110.3093 108.198 110.6232 108.1478 110.9289 108.54 115.319 117.5322 127.1294 108.1274 110.7592 110.0422 109.1497 107.7594 110.907 119.6423 120.2045 120.1517 120.0668 119.8098 120.1208 119.1912 120.6648 119.9893 96.1444 98.0307 99.0111 99.1399 124.3446 123.9253 122.8458 122.0628 122.7268 122.1488 122.4881 110.3322 125.3178 115.7995 116.0818 98.9042 115.8654 102.7409 103.7949 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A195 A196 A197 A198 A199 A200 A201 A202 A203 A204 A205 A206 A207 A208 A209 A210 A211 A212 A213 A214 A215 A216 A217 58 60 55 58 59 56 58 59 57 60 61 69 58 60 55 58 59 56 58 59 57 60 61 1 1 2 2 2 3 3 3 4 4 4 75 1 1 2 2 2 3 3 3 4 4 4 69 68 60 64 62 61 66 70 59 67 65 71 69 68 60 64 62 61 66 70 59 67 65 60 3 58 4 1 58 4 1 60 3 2 3 60 3 58 4 1 58 4 1 60 3 2 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 -2 182.2881 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 165.6461 181.4255 172.8409 173.7614 181.3714 172.9596 172.5035 178.3545 172.5095 172.4391 173.4255 178.3275 178.1966 180.2096 177.5885 181.4419 179.6155 182.531 179.0275 181.1656 182.4445 177.4937 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 D195 D196 D197 D198 D199 D200 D201 D202 D203 D204 D205 D206 D207 D208 D209 D210 D211 D212 D213 D214 D215 D216 D217 D218 D219 D220 D221 D222 D223 D224 D225 D226 D227 D228 D229 D230 D231 D232 D233 D234 D235 D236 D237 D238 D239 D240 D241 D242 D243 D244 D245 D246 D247 D248 D249 D250 D251 D252 D253 D254 D255 D256 D257 D258 D259 D260 D261 D262 D263 D264 D265 D266 D267 D268 D269 D270 D271 D272 D273 D274 D275 D276 D277 D278 D279 D280 D281 D282 D283 D284 D285 D286 D287 D288 D289 D290 D291 D292 D293 D294 D295 D296 D297 D298 D299 D300 D301 D302 D303 D304 D305 D306 D307 D308 D309 D310 D311 D312 D313 D314 D315 D316 D317 D318 D319 D320 D321 D322 D323 D324 D325 D326 D327 D328 D329 D330 D331 D332 D333 D334 D335 D336 D337 D338 D339 D340 D341 D342 D343 D344 D345 D346 3 3 3 3 3 61 61 61 61 61 63 63 63 63 63 68 68 68 68 68 69 69 69 69 69 2 2 2 2 2 60 60 60 60 60 63 63 63 63 63 68 68 68 68 68 69 69 69 69 69 3 58 61 63 69 2 58 60 63 68 69 2 3 58 60 61 68 69 2 3 58 61 63 69 2 3 60 61 63 68 1 1 1 1 1 55 55 55 55 55 58 58 58 58 58 62 62 62 62 62 64 64 64 64 64 1 1 4 4 58 58 59 59 62 62 64 64 4 55 59 60 62 1 55 58 60 64 1 4 55 58 60 64 1 4 55 59 60 62 1 1 1 1 1 56 56 56 56 56 58 58 58 58 58 66 66 66 66 66 70 70 70 70 70 1 1 4 4 58 58 59 59 66 66 70 70 4 56 59 61 70 1 56 58 61 66 1 4 56 59 61 70 1 4 56 58 61 66 2 2 3 3 60 60 61 61 65 65 67 67 3 57 59 61 65 2 57 59 60 67 2 3 57 59 60 67 2 3 57 59 61 65 6 6 55 55 6 6 7 7 5 5 8 8 7 7 10 10 9 9 12 12 11 11 14 14 16 16 56 56 16 16 17 17 15 15 18 18 17 17 20 20 19 19 22 22 21 21 24 24 26 26 57 57 26 26 27 27 25 25 28 28 27 27 30 30 29 29 32 32 31 31 34 34 62 62 62 63 63 63 36 63 36 62 64 64 64 65 65 65 41 65 41 64 66 66 66 67 67 67 46 67 46 66 68 68 68 70 70 70 51 70 51 68 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 7 7 7 7 9 9 9 9 11 11 11 11 13 13 13 13 15 15 15 15 15 15 15 15 17 17 17 17 19 19 19 19 21 21 21 21 23 23 23 23 25 25 25 25 25 25 25 25 27 27 27 27 29 29 29 29 31 31 31 31 33 33 33 33 35 35 35 35 35 35 35 35 35 35 40 40 40 40 40 40 40 40 40 40 45 45 45 45 45 45 45 45 45 45 50 50 50 50 50 50 50 50 50 50 69 69 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 60 60 60 60 60 61 61 61 61 61 61 63 63 63 63 63 63 63 68 68 68 68 68 68 69 69 69 69 69 69 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 55 55 55 55 55 55 55 55 55 55 55 55 58 58 58 58 58 59 59 59 59 59 62 62 62 62 62 62 64 64 64 64 64 64 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 56 56 56 56 56 56 56 56 56 56 56 56 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2 45 45 45 45 45 45 50 50 50 50 50 50 25 33 25 33 25 33 25 33 25 33 25 33 1 1 1 1 1 1 1 1 1 1 40 40 40 40 40 40 45 45 45 45 45 45 8 9 8 9 2 13 2 13 10 11 10 11 12 13 12 13 14 55 14 55 2 5 2 5 18 19 18 19 3 23 3 23 20 21 20 21 22 23 22 23 24 56 24 56 3 15 3 15 28 29 28 29 4 33 4 33 30 31 30 31 32 33 32 33 34 57 34 57 4 25 4 25 37 38 39 37 38 39 2 2 1 1 42 43 44 42 43 44 2 2 4 4 47 48 49 47 48 49 3 3 4 4 52 53 54 52 53 54 1 1 3 3 72 73 -67.4224 62.893 -30.4266 148.1315 -120.1647 -30.7227 99.5927 6.2731 -175.1688 -83.465 146.818 -82.8666 -176.1862 2.3719 94.0757 -114.0302 16.2852 -77.0344 101.5237 -166.7725 65.2903 -164.3942 102.2861 -79.1558 12.548 67.3067 -63.5968 30.4073 120.0009 -148.6202 30.5172 -100.3863 -6.3821 83.2114 174.5903 112.1437 -18.7598 75.2444 164.8379 -103.7831 -147.6794 81.4171 175.4213 -94.9852 -3.6063 -65.6484 163.4481 -102.5477 -12.9542 78.4247 -41.3162 -83.6 0.8069 -170.1686 98.0725 41.7642 84.2193 -0.8098 33.1049 170.9568 -97.7702 -2.035 -40.2944 -44.0909 40.0133 6.7047 -129.7169 138.2746 44.5532 5.0725 47.0526 -36.423 132.4152 -135.0082 -128.7105 -27.6128 -118.5785 -38.1412 154.1239 50.7593 69.2815 -58.8089 31.7083 -145.7854 120.576 -63.2915 168.6181 -100.8647 81.6416 -11.997 29.7294 -98.3609 -7.8438 174.6625 81.024 122.0804 -6.0099 84.5072 -92.9865 173.3749 -147.859 84.0506 174.5677 -2.926 -96.5645 37.9716 -142.4678 138.992 -41.4474 46.9863 -133.4531 129.8264 -50.6131 -44.9101 134.6505 -139.7257 39.8348 -39.4656 96.3071 3.6781 -83.9025 -172.8631 41.9756 -95.6644 -3.7413 85.7252 173.1205 -3.7522 -49.7044 134.0423 41.7454 -47.3757 -134.696 49.6802 3.5963 -132.3809 -39.479 47.9942 136.7612 -69.3499 58.3017 -31.3642 -120.3331 146.1913 63.1151 -169.2334 101.1007 12.1318 -81.3438 -29.8162 97.8354 8.1695 -80.7994 -174.275 147.6528 -84.6957 -174.3616 96.6695 3.1939 -121.2584 6.3932 -83.2727 -172.2416 94.2828 -41.1829 139.3943 -142.5452 38.032 -50.5756 130.0017 -133.534 47.0432 136.1144 -43.3083 40.6934 -138.7294 39.4147 -96.7918 -3.6751 83.5928 171.6397 -41.9866 95.5301 3.7504 -85.7853 -173.2856 -49.0918 -3.0729 133.3394 39.9707 -47.2028 -135.0226 3.65 49.0198 -134.0082 -41.7933 47.3551 134.6771 -31.4163 144.0639 -126.5366 48.9435 -37.954 137.5262 -120.4353 55.0448 52.4583 -132.0616 149.0401 -35.4797 43.052 -92.4337 86.4008 -0.8274 175.6801 -43.5589 91.5731 -86.9457 0.8267 -175.7474 3.1883 47.0269 -132.0156 46.347 -41.0373 135.087 -48.4267 -4.3309 131.1391 -47.5045 39.3976 -136.664 0.5942 -178.9492 179.8406 0.2972 -2.0738 178.3654 178.6268 -0.934 179.8938 0.2787 0.3587 -179.2563 179.2478 -0.2267 -0.3672 -179.8417 179.1821 -0.4058 -0.3019 -179.8898 -178.5688 0.9895 1.8152 -178.6265 -0.4576 179.0637 -179.9733 -0.452 2.1169 -178.4621 -178.3342 1.0868 -179.8419 -0.2662 -0.3293 179.2464 -179.1385 0.3516 0.4372 179.9273 -178.915 0.2738 0.5842 179.773 178.4264 -0.996 -2.3276 178.2499 -1.085 178.4716 -179.914 -0.3574 -2.6723 -178.1836 176.2374 0.7261 -179.7424 0.0164 -0.1939 179.5649 -179.5089 -0.0431 0.2499 179.7158 -179.629 0.4138 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 75 75 75 1.00e+00 60 T IExCor= 2523 DFT=T Ex+Corr=TPSSh ExCW=0 ScaHFX= 0.100000 ScaDFX= 0.900000 0.900000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.1111210004 C-PCM UFF Total charges None Matrix inversion Chloroform 4.711300 2.090627 0.0974416 0.0662924 0.0641395 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. PrsmSu: requested number of processors reduced to: 10 ShMem 1 Linda. PrsmSu: requested number of processors reduced to: 30 ShMem 1 Linda. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 71253 NPrTT= 275659 LenC2= 59696 LenP2D= 144976. LDataN: DoStor=T MaxTD1= 7 Len= 274 Number of processors reduced to 7 by ecpmxn. NBasis= 839 RedAO= T EigKep= 4.12D-04 NBF= 839 NBsUse= 839 1.00D-06 EigRej= -1.00D+00 NBFU= 839 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 44. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 863 853 859 861 863 MxSgAt= 75 MxSgA2= 75. 1 open 1 1 1 -6317.28653557012 -6317.28653557 1 3.7709 6.227884045552e+03 -3.503002552807e+04 1.243961729500e+04 Using DIIS extrapolation, IDIIS= 1040. NGot= 104857600 LenX= 103195927 LenY= 102386827 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 3.7709 Using compressed storage, NAtomX= 75. Will process 76 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=1111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 4.7113, EpsInf= 2.0906) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. Defaulting to unpruned grid for atomic number 44. 23114 words used for storage of precomputed grid. Two-electron integral symmetry not used. MDV= 104857600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 96. Estimated number of processors is: 12 FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 960000000 NMat= 3 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. Defaulting to unpruned grid for atomic number 44. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. There are 228 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 228 vectors produced by pass 0 Test12= 2.54D-13 1.00D-09 XBig12= 2.04D+03 1.76D+01. Estimated number of processors is: 12 AX will form 3 AO Fock derivatives at one time. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 228 vectors produced by pass 1 Test12= 2.54D-13 1.00D-09 XBig12= 1.49D+03 7.07D+00. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 228 vectors produced by pass 2 Test12= 2.54D-13 1.00D-09 XBig12= 2.41D+01 6.66D-01. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 32 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. 225 vectors produced by pass 3 Test12= 2.54D-13 1.00D-09 XBig12= 4.30D-01 6.00D-02. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 225 vectors produced by pass 4 Test12= 2.54D-13 1.00D-09 XBig12= 3.33D-03 3.51D-03. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 225 vectors produced by pass 5 Test12= 2.54D-13 1.00D-09 XBig12= 1.30D-05 2.54D-04. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 158 vectors produced by pass 6 Test12= 2.54D-13 1.00D-09 XBig12= 4.71D-08 1.17D-05. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 29 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 32 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 32 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 32 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 20 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 27 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 33 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 27 ShMem 1 Linda. 28 vectors produced by pass 7 Test12= 2.54D-13 1.00D-09 XBig12= 1.77D-10 7.57D-07. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 30 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 32 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 32 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 32 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 27 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 35 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 35 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 33 ShMem 1 Linda. 5 vectors produced by pass 8 Test12= 2.54D-13 1.00D-09 XBig12= 8.47D-13 5.50D-08. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 14 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 16 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 27 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. 3 vectors produced by pass 9 Test12= 2.54D-13 1.00D-09 XBig12= 5.14D-15 3.19D-09. Estimated number of processors is: 12 CoulSu: requested number of processors reduced to: 19 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 31 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 24 ShMem 1 Linda. InvSVY: IOpt=1 It= 1 EMax= 1.07D-13 Solved reduced A of dimension 1553 with 228 vectors. Estimated number of processors is: 12 FullF1: Do perturbations 1 to 3. CoulSu: requested number of processors reduced to: 18 ShMem 1 Linda. CalDSu: requested number of processors reduced to: 22 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 28 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 21 ShMem 1 Linda. Isotropic polarizability for W= 0.000000 623.95 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 757.083 -62.044 545.064 81.958 -28.655 569.697 941.037 -51.549 732.955 72.353 -4.420 798.745 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 Ru Co Co Co C H C H C H C H C H C H C H C H C H C H C H C H C H C H C H C C H H H C C H H H C C H H H C C H H H N N N O O O O O O O O O O O O O C H H H H 99 59 59 59 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 13 1 1 1 13 13 1 1 1 13 13 1 1 1 13 13 1 1 1 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 17 13 1 1 1 1 -0.00000 0.03934 0.01422 0.06132 0.00001 0.00001 0.00015 0.00001 -0.00003 0.00000 0.00008 0.00001 -0.00015 0.00000 0.00005 0.00001 0.00010 0.00000 -0.00001 0.00000 0.00003 0.00000 -0.00007 0.00001 0.00051 0.00003 -0.00014 -0.00001 0.00016 0.00000 0.00005 0.00001 0.00017 -0.00001 0.00267 -0.00016 0.00005 0.00010 -0.00000 -0.00060 -0.00012 -0.00000 0.00006 0.00000 -0.00027 -0.00008 -0.00001 0.00000 0.00001 0.00448 -0.00132 0.00030 0.00002 0.00022 0.00741 0.00299 -0.00010 0.03154 0.00064 0.02837 0.02528 0.00526 0.01521 0.00137 -0.00002 -0.00090 0.00006 0.00635 0.18360 0.00881 0.23457 -0.00828 -0.00738 -0.00695 -0.02573 0.00028 13.87170 5.01295 21.62447 0.00264 0.00873 0.05647 0.02177 -0.01081 0.00682 0.02909 0.01941 -0.05777 0.00518 0.01833 0.01958 0.03615 0.00662 -0.00314 0.00257 0.01138 0.00547 -0.02519 0.00821 0.19258 0.04378 -0.05288 -0.01409 0.06153 0.00607 0.01920 0.01257 0.06549 -0.02005 0.99981 -0.05840 0.07460 0.15236 -0.00016 -0.22591 -0.04541 -0.00603 0.08896 0.00702 -0.10208 -0.02837 -0.01530 0.00466 0.01687 1.68018 -0.49278 0.44820 0.02649 0.32122 0.79844 0.32222 -0.01112 -6.37335 -0.12970 -5.73226 -5.10896 -1.06312 -3.07353 -0.27694 0.00467 0.18280 -0.01205 -1.28275 -37.10005 -1.78089 87.90022 -12.33784 -10.99984 -10.35282 -38.33572 0.00010 4.94977 1.78875 7.71615 0.00094 0.00311 0.02015 0.00777 -0.00386 0.00243 0.01038 0.00693 -0.02061 0.00185 0.00654 0.00699 0.01290 0.00236 -0.00112 0.00092 0.00406 0.00195 -0.00899 0.00293 0.06872 0.01562 -0.01887 -0.00503 0.02196 0.00217 0.00685 0.00448 0.02337 -0.00715 0.35676 -0.02084 0.02662 0.05437 -0.00006 -0.08061 -0.01620 -0.00215 0.03174 0.00251 -0.03643 -0.01012 -0.00546 0.00166 0.00602 0.59953 -0.17584 0.15993 0.00945 0.11462 0.28490 0.11498 -0.00397 -2.27417 -0.04628 -2.04541 -1.82300 -0.37935 -1.09671 -0.09882 0.00167 0.06523 -0.00430 -0.45772 -13.23822 -0.63546 31.36499 -4.40245 -3.92502 -3.69414 -13.67914 0.00009 4.62710 1.67214 7.21315 0.00088 0.00291 0.01884 0.00726 -0.00361 0.00227 0.00970 0.00648 -0.01927 0.00173 0.00611 0.00653 0.01206 0.00221 -0.00105 0.00086 0.00380 0.00183 -0.00840 0.00274 0.06424 0.01460 -0.01764 -0.00470 0.02052 0.00203 0.00641 0.00419 0.02185 -0.00669 0.33350 -0.01948 0.02489 0.05082 -0.00005 -0.07535 -0.01515 -0.00201 0.02967 0.00234 -0.03405 -0.00946 -0.00510 0.00156 0.00563 0.56045 -0.16437 0.14950 0.00884 0.10715 0.26633 0.10748 -0.00371 -2.12592 -0.04326 -1.91208 -1.70416 -0.35462 -1.02522 -0.09238 0.00156 0.06098 -0.00402 -0.42788 -12.37524 -0.59404 29.32036 -4.11546 -3.66915 -3.45333 -12.78742 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 -0.059086 0.043778 0.004374 0.006504 0.002365 0.001952 0.001348 0.000866 0.000889 0.000383 0.000910 -0.000298 0.004319 0.006495 0.002327 0.001991 0.001283 0.000916 0.000915 0.000433 0.000973 -0.000183 0.002907 0.001016 0.002978 0.002309 0.003777 0.003082 0.002956 0.002395 0.000798 -0.001695 -0.000491 -0.002178 -0.002711 -0.001750 -0.000454 -0.003867 -0.001573 -0.001232 -0.001311 -0.001142 -0.003717 -0.001732 -0.001158 -0.001633 -0.001301 0.007455 0.000224 -0.001287 0.000042 -0.000548 0.008618 0.005621 -0.000396 -0.136751 0.013897 0.104154 -0.059864 0.028733 -0.087184 -0.004974 -0.006275 -0.000037 -0.006789 -0.016373 -0.635423 0.052503 -0.306416 -0.014755 -0.034668 0.053456 -0.054668 0.084792 0.120903 -0.002493 -0.002641 -0.001201 -0.000908 -0.001056 -0.000573 -0.000989 -0.000720 -0.002082 -0.001816 -0.002032 -0.002395 -0.001074 -0.000888 -0.000772 -0.000543 -0.000865 -0.000658 -0.001480 -0.001517 -0.003853 -0.001859 -0.002529 -0.000889 -0.002715 -0.001799 -0.003427 -0.002333 -0.004580 -0.002934 0.011703 0.005698 0.005415 0.002786 0.002764 -0.001214 -0.000344 -0.000382 0.000255 -0.000605 -0.000103 0.000220 0.000157 0.000555 -0.000414 0.006207 0.002746 0.003935 0.002235 0.000504 -0.005281 -0.003354 -0.008174 -0.022179 -0.034219 0.136949 0.267026 -0.012502 -0.064477 0.006087 -0.010703 0.001168 -0.005036 -0.053953 0.731792 -0.017150 0.688506 0.009264 0.002708 -0.004399 0.180943 -0.025706 -0.164681 -0.001881 -0.003863 -0.001164 -0.001044 -0.000292 -0.000293 0.000100 0.000337 0.001172 0.002114 -0.002287 -0.004100 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AuxInfo=1/1/N:9,7,11,5,13,55;19,17,21,15,23,56;29,27,31,25,33,57;36,35,62,63;41,40,64,65;46,45,66,67;51,50,68,70;71;2;3;4;69;58;59;60;61;1/E:3*(2,3)(4,5);4*(3,4);;;;;;;;;;/CRV:3*1.3,2.3,3.3,4.3,5.3,6-1;4*2.3,3-1,4-1;1.3;;;;;;;;;/rA:75RuCoCoCoC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3CHHHC3CHHHC3CHHHC3CHHHNNNO3O3O3O3OOOOOOOOOC3HHHH/rB:;;;;s5;s5;s7;s7;s9;s9;s11;s11;s13;;s15;s15;s17;s17;s19;s19;s21;s21;s23;;s25;s25;s27;s27;s29;s29;s31;s31;s33;;s35;s36;s36;s36;;s40;s41;s41;s41;;s45;s46;s46;s46;;s50;s51;s51;s51;s2s5s13;s3s15s23;s4s25s33;s1s2s3;s2s3s4;s1s2s4;s1s3s4;s2s35;s1s35;s2s40;s4s40;s3s45;s4s45;s1s50;s1;s3s50;;s71;s71;s71;s69;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 28-Nov-2021 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 UTPSSh def2SVP Stability #p utpssh/def2svp symmetry=none scf=(maxcycle=128,xqc) scrf=(cpcm,solvent=chloroform) empiricaldispersion=gd3 iop(3/175=1219000,3/176=1223000) geom=check guess=read stable=opt 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 816.1387000000004 AuxInfo=1/1/N:9,7,11,5,13,55;19,17,21,15,23,56;29,27,31,25,33,57;36,35,62,63;41,40,64,65;46,45,66,67;51,50,68,70;71;2;3;4;69;58;59;60;61;1/E:3*(2,3)(4,5);4*(3,4);;;;;;;;;;/CRV:3*1.3,2.3,3.3,4.3,5.3,6-1;4*2.3,3-1,4-1;1.3;;;;;;;;;/rA:75RuCoCoCoC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3CHHHC3CHHHC3CHHHC3CHHHNNNO3O3O3O3OOOOOOOOOC3HHHH/rB:;;;;s5;s5;s7;s7;s9;s9;s11;s11;s13;;s15;s15;s17;s17;s19;s19;s21;s21;s23;;s25;s25;s27;s27;s29;s29;s31;s31;s33;;s35;s36;s36;s36;;s40;s41;s41;s41;;s45;s46;s46;s46;;s50;s51;s51;s51;s2s5s13;s3s15s23;s4s25s33;s1s2s3;s2s3s4;s1s2s4;s1s3s4;s2s35;s1s35;s2s40;s4s40;s3s45;s4s45;s1s50;s1;s3s50;;s71;s71;s71;s69;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; NProcShared=40 LindaWorkers=c11-34-ib chk=ru_ch4_4_ts.chk #p utpssh/def2svp symmetry=none scf=(maxcycle=128,xqc) scrf=(cpcm,solv 1/29=2,38=1,172=1/1 2/12=2,15=3,40=1/2 3/5=43,7=101,11=2,14=-4,25=1,30=1,70=2101,72=7,74=-35,116=2,124=31,175=1219000,176=1223000/1,2,3 4/5=1/1 5/5=2,7=128,8=3,13=1,38=6,53=7/2,8 6/7=2,8=2,9=2,10=2,28=1/1 8/6=1,10=90,11=11/1 9/8=-3,42=1,46=1/14 5/5=2,7=128,8=3,17=40,38=6,53=7/8(-2) 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Molecule Name Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 102 59 59 59 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 12 1 1 1 12 12 1 1 1 12 12 1 1 1 12 12 1 1 1 14 14 14 16 16 16 16 16 16 16 16 16 16 16 16 16 12 1 1 1 1 101.9037000 58.9331978 58.9331978 58.9331978 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 14.0030740 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 0 7 7 7 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 0 1 1 1 0 0 1 1 1 0 0 1 1 1 0 0 1 1 1 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 221.7600000 25.3800000 25.3800000 25.3800000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 4.5500000 4.5500000 4.5500000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /cluster/software/Gaussian/g16_C.01/l101.exe) def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 75 75 75 1.00e+00 60 T IExCor= 2523 DFT=T Ex+Corr=TPSSh ExCW=0 ScaHFX= 0.100000 ScaDFX= 0.900000 0.900000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.1111210004 C-PCM UFF Total charges None On-the-fly selection Chloroform 4.711300 2.090627 0.0974416 0.0662924 0.0641395 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. PrsmSu: requested number of processors reduced to: 10 ShMem 1 Linda. PrsmSu: requested number of processors reduced to: 30 ShMem 1 Linda. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 71253 NPrTT= 275659 LenC2= 59696 LenP2D= 144976. LDataN: DoStor=T MaxTD1= 7 Len= 274 Number of processors reduced to 7 by ecpmxn. NBasis= 839 RedAO= T EigKep= 4.12D-04 NBF= 839 NBsUse= 839 1.00D-06 EigRej= -1.00D+00 NBFU= 839 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 44. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 863 853 859 861 863 MxSgAt= 75 MxSgA2= 75. -32.73981 -28.37052 -28.37006 -28.36996 -28.36885 -28.36835 -28.36830 -28.36823 -28.36677 -28.36649 -19.07008 -19.06803 -19.06641 -19.06324 -19.06227 -19.06177 -19.06153 -19.06140 -19.05588 -19.05499 -19.04407 -19.04168 -19.04103 -14.31109 -14.30999 -14.30415 -10.25051 -10.24610 -10.24470 -10.24408 -10.18244 -10.18212 -10.18209 -10.18206 -10.17719 -10.17595 -10.16275 -10.16266 -10.15720 -10.15369 -10.15362 -10.15360 -10.15349 -10.14809 -10.14738 -10.13036 -10.12971 -10.12917 -10.12855 -10.11848 -3.69733 -3.69682 -3.69512 -3.05393 -2.37983 -2.37916 -2.37814 -2.37769 -2.37708 -2.37635 -2.37571 -2.37547 -2.37481 -1.92300 -1.90464 -1.88736 -1.04080 -1.03779 -1.03634 -1.03488 -0.95732 -0.95443 -0.95276 -0.95097 -0.94679 -0.94283 -0.93921 -0.90390 -0.88832 -0.87426 -0.86966 -0.85523 -0.79516 -0.79332 -0.78861 -0.75725 -0.75407 -0.74972 -0.71011 -0.70781 -0.70758 -0.70709 -0.64811 -0.63182 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-0.03661 -0.03114 -0.02930 -0.00684 -0.00092 -0.00023 0.00198 0.00548 0.03852 0.05421 0.05604 0.05973 0.07158 0.07442 0.07593 0.08907 0.09177 0.09646 0.09740 0.10324 0.10726 0.11119 0.11375 0.11602 0.11788 0.12012 0.12147 0.12814 0.13203 0.13294 0.13517 0.13684 0.13867 0.13996 0.14300 0.14394 0.14670 0.15131 0.15863 0.16083 0.16485 0.16763 0.17206 0.17621 0.17920 0.19252 0.19764 0.21069 0.21316 0.21843 0.22334 0.22624 0.23049 0.23688 0.24621 0.25087 0.25466 0.26222 0.26634 0.26694 0.27128 0.27825 0.28198 0.28344 0.28785 0.28914 0.29358 0.29756 0.30115 0.31161 0.32477 0.32770 0.33030 0.33315 0.33625 0.33991 0.34252 0.34436 0.35449 0.36688 0.37492 0.37847 0.38410 0.39501 0.39722 0.39899 0.40566 0.41069 0.41324 0.41792 0.42445 0.42535 0.42846 0.43285 0.44072 0.44354 0.44372 0.44883 0.45243 0.45701 0.45953 0.46291 0.46374 0.46811 0.47208 0.47303 0.47886 0.48415 0.48466 0.48835 0.49352 0.49640 0.50093 0.50205 0.50455 0.51448 0.51669 0.51731 0.51872 0.52283 0.52474 0.52814 0.52980 0.53247 0.53472 0.53696 0.53815 0.54235 0.54649 0.54822 0.54998 0.55685 0.55987 0.56522 0.57060 0.57447 0.57751 0.57893 0.58639 0.58733 0.59143 0.59703 0.59862 0.60413 0.60753 0.61375 0.61509 0.61749 0.62431 0.62706 0.62971 0.63380 0.63523 0.64054 0.64344 0.64517 0.64830 0.65304 0.65458 0.65806 0.66183 0.66234 0.66517 0.66842 0.66991 0.67316 0.67366 0.67546 0.67688 0.68016 0.68338 0.68482 0.68609 0.68700 0.69123 0.69278 0.69693 0.69793 0.70073 0.70506 0.70617 0.71152 0.71458 0.72024 0.72365 0.72861 0.73132 0.73894 0.74246 0.74810 0.74958 0.75490 0.75587 0.76590 0.76755 0.77396 0.78876 0.79022 0.79365 0.80238 0.81068 0.81646 0.81997 0.82237 0.82368 0.83063 0.83454 0.84697 0.85257 0.86306 0.88359 0.89713 0.90365 0.90996 0.91376 0.92164 0.92904 0.94934 0.95136 0.95940 0.98715 0.98928 0.99509 1.01033 1.01932 1.02804 1.04011 1.05174 1.06076 1.06294 1.07229 1.07543 1.08210 1.08422 1.09904 1.10408 1.11183 1.12025 1.12266 1.13090 1.13258 1.13666 1.14064 1.15166 1.15698 1.16251 1.16548 1.17544 1.17684 1.18018 1.18289 1.18722 1.19735 1.19907 1.20774 1.21122 1.21835 1.22033 1.22361 1.22823 1.22984 1.23617 1.24120 1.24360 1.25015 1.25179 1.25548 1.25783 1.26012 1.26914 1.27763 1.27822 1.28141 1.28912 1.29575 1.29946 1.31072 1.31558 1.31812 1.32705 1.33077 1.33500 1.33887 1.34569 1.35329 1.35683 1.36418 1.37237 1.37579 1.37953 1.38408 1.39103 1.39451 1.40111 1.40429 1.41094 1.41682 1.42117 1.42817 1.43198 1.43712 1.44256 1.44634 1.45714 1.46412 1.47140 1.48129 1.48191 1.48617 1.49268 1.50317 1.50565 1.52162 1.52225 1.53200 1.53637 1.53663 1.54132 1.54648 1.55221 1.55430 1.55902 1.57938 1.58268 1.58875 1.59248 1.59682 1.61682 1.62018 1.62341 1.63080 1.64082 1.64644 1.65575 1.65755 1.66136 1.66564 1.67092 1.67901 1.68315 1.68382 1.69294 1.69982 1.70413 1.71085 1.71651 1.72122 1.72474 1.72948 1.73362 1.74107 1.74145 1.74476 1.74677 1.74917 1.75195 1.75399 1.75649 1.75733 1.76067 1.76356 1.76431 1.76951 1.77548 1.77735 1.78261 1.78652 1.78862 1.79763 1.80108 1.80641 1.80647 1.80842 1.80916 1.81325 1.81968 1.82037 1.82399 1.82864 1.83553 1.84334 1.84887 1.85251 1.85675 1.86090 1.86668 1.87791 1.88336 1.89387 1.90476 1.90507 1.91098 1.91423 1.92613 1.93375 1.93789 1.94520 1.94932 1.95595 1.96276 1.96698 1.97011 1.97437 1.97813 1.98404 1.98509 1.98818 1.99696 1.99806 2.00349 2.00606 2.00956 2.01244 2.02041 2.02365 2.03451 2.03649 2.04818 2.04975 2.05689 2.06300 2.06496 2.07404 2.07919 2.09132 2.09594 2.10609 2.10991 2.11238 2.11814 2.12700 2.12926 2.13455 2.13857 2.14178 2.15042 2.15449 2.16006 2.16952 2.17640 2.19399 2.20196 2.20719 2.20898 2.22044 2.22179 2.22781 2.24977 2.26313 2.27604 2.28033 2.28283 2.29143 2.29528 2.31812 2.32689 2.33452 2.33687 2.33765 2.34131 2.35903 2.38522 2.39316 2.39418 2.39598 2.40095 2.40226 2.40406 2.41404 2.41827 2.42326 2.42623 2.42909 2.43440 2.43769 2.44452 2.45936 2.46775 2.47206 2.47365 2.48130 2.49126 2.49514 2.49787 2.50193 2.53746 2.54021 2.54877 2.58824 2.59357 2.59798 2.60024 2.60918 2.61783 2.62437 2.63056 2.63348 2.64369 2.64809 2.65359 2.66647 2.67575 2.69096 2.69655 2.70052 2.70225 2.71746 2.72094 2.72342 2.72592 2.73049 2.73158 2.73784 2.74229 2.74850 2.75120 2.75491 2.76146 2.76781 2.77437 2.77694 2.78070 2.78273 2.78439 2.80784 2.82035 2.83205 2.83616 2.83838 2.84478 2.84981 2.85510 2.85692 2.87917 2.88005 2.88147 2.88711 2.89425 2.89859 2.89959 2.91166 2.91547 2.91863 2.92122 2.92845 2.93459 2.93508 2.94536 2.95352 2.95657 2.96326 2.96798 2.97221 2.97440 2.98161 2.98229 2.98384 2.99425 2.99729 3.00213 3.00874 3.01426 3.01986 3.02359 3.04182 3.05319 3.05814 3.08002 3.08854 3.11094 3.11305 3.12707 3.12757 3.13514 3.14150 3.14243 3.15332 3.15799 3.19492 3.20009 3.20483 3.20981 3.21918 3.23194 3.26542 3.30230 3.30937 3.31497 3.32273 3.33325 3.33906 3.37005 3.37483 3.38720 3.41167 3.58632 3.59332 3.60324 3.61586 3.65168 3.65865 3.66836 3.67444 3.67817 3.68202 3.68285 3.76623 4.83461 4.83622 4.83894 4.84090 4.84253 4.84513 4.84530 4.85258 4.85332 4.85454 4.85570 4.86143 4.93077 4.93812 4.93884 4.93966 4.95446 4.96994 4.97993 4.98975 5.01159 45.59915 -277.33963 -277.33897 -277.33715 -32.74228 -32.74136 -32.73957 -28.37038 -28.37000 -28.36989 -28.36865 -28.36838 -28.36823 -28.36791 -28.36666 -28.36600 -19.06920 -19.06678 -19.06595 -19.06320 -19.06217 -19.06171 -19.06152 -19.06126 -19.05307 -19.05253 -19.04394 -19.03984 -19.02577 -14.31099 -14.30995 -14.30413 -10.25037 -10.24611 -10.24471 -10.24409 -10.18244 -10.18212 -10.18209 -10.18206 -10.17719 -10.17595 -10.16276 -10.16266 -10.15720 -10.15369 -10.15362 -10.15359 -10.15349 -10.14809 -10.14738 -10.13039 -10.12971 -10.12917 -10.12855 -10.10678 -3.69739 -3.69607 -3.69457 -3.00330 -2.37921 -2.37886 -2.37827 -2.37730 -2.37665 -2.37625 -2.37531 -2.37469 -2.37395 -1.85286 -1.84803 -1.84376 -1.03960 -1.03691 -1.03595 -1.03469 -0.95598 -0.95366 -0.95220 -0.95052 -0.94663 -0.94274 -0.93911 -0.89872 -0.86844 -0.86738 -0.85977 -0.84666 -0.79513 -0.79329 -0.78859 -0.75724 -0.75406 -0.74970 -0.70996 -0.70777 -0.70748 -0.70704 -0.63181 -0.62957 -0.62494 -0.62242 -0.62203 -0.62001 -0.61527 -0.53974 -0.53910 -0.53448 -0.52897 -0.52627 -0.52181 -0.52090 -0.48646 -0.48566 -0.48419 -0.48227 -0.47814 -0.47394 -0.46863 -0.46638 -0.46308 -0.45956 -0.45139 -0.44977 -0.44955 -0.44713 -0.44469 -0.44303 -0.44067 -0.43955 -0.43264 -0.42986 -0.42752 -0.42387 -0.42230 -0.42012 -0.41815 -0.41147 -0.40593 -0.39976 -0.39473 -0.38780 -0.38623 -0.38486 -0.38436 -0.38042 -0.37885 -0.37647 -0.37516 -0.37315 -0.37121 -0.37061 -0.36847 -0.36765 -0.36236 -0.36180 -0.35961 -0.35720 -0.34916 -0.34213 -0.33707 -0.33104 -0.32658 -0.32134 -0.31824 -0.31721 -0.31359 -0.31161 -0.30889 -0.30696 -0.30187 -0.30175 -0.30078 -0.29681 -0.29453 -0.29180 -0.28663 -0.28521 -0.28404 -0.28251 -0.27789 -0.27478 -0.26557 -0.26377 -0.26009 -0.25374 -0.24938 -0.24087 -0.23513 -0.22392 -0.22179 -0.22118 -0.21981 -0.21673 -0.20908 -0.20840 -0.20603 -0.17439 -0.12363 -0.09890 -0.09170 -0.07500 -0.06824 -0.06518 -0.06046 -0.05968 -0.05786 -0.05557 -0.05521 -0.05409 -0.05027 -0.03638 -0.03111 -0.01257 -0.00245 0.00040 0.00230 0.00582 0.02236 0.03919 0.05499 0.05649 0.06059 0.07171 0.07492 0.07643 0.08961 0.09218 0.09709 0.09930 0.10426 0.10773 0.11146 0.11420 0.11745 0.11894 0.12117 0.12191 0.12868 0.13245 0.13433 0.13528 0.13744 0.13906 0.14059 0.14342 0.14473 0.14680 0.15415 0.15930 0.16124 0.16514 0.16908 0.17556 0.17854 0.17941 0.19494 0.20020 0.21184 0.21369 0.22027 0.22489 0.22711 0.23191 0.23751 0.24760 0.25118 0.25662 0.26572 0.26650 0.26741 0.27826 0.27949 0.28219 0.28385 0.28797 0.29217 0.29525 0.30227 0.30239 0.31398 0.32532 0.32800 0.33162 0.33419 0.34053 0.34331 0.34450 0.34689 0.35828 0.36876 0.37669 0.38090 0.38484 0.39725 0.39886 0.40273 0.40660 0.41188 0.41528 0.41917 0.42582 0.42647 0.42974 0.43366 0.44178 0.44400 0.44431 0.45113 0.45466 0.45840 0.46196 0.46421 0.46465 0.46984 0.47449 0.47601 0.47929 0.48502 0.48611 0.48955 0.49391 0.50010 0.50304 0.50801 0.50930 0.51621 0.51801 0.51955 0.52047 0.52694 0.52850 0.52955 0.53115 0.53610 0.53721 0.53869 0.54302 0.54321 0.54820 0.55077 0.55175 0.56014 0.56428 0.57006 0.57488 0.57494 0.57928 0.58086 0.58833 0.58971 0.59454 0.59951 0.60040 0.60629 0.60856 0.61560 0.61821 0.61905 0.62672 0.62920 0.63100 0.63456 0.63939 0.64250 0.64450 0.64676 0.65007 0.65546 0.65845 0.65964 0.66256 0.66371 0.66592 0.66878 0.67051 0.67454 0.67505 0.67607 0.67730 0.68135 0.68372 0.68521 0.68659 0.68822 0.69220 0.69405 0.69823 0.70091 0.70239 0.70631 0.70997 0.71401 0.71752 0.72148 0.72435 0.73137 0.73340 0.74008 0.74427 0.75233 0.75495 0.76134 0.76162 0.76809 0.77182 0.77865 0.79223 0.79280 0.79515 0.80649 0.81346 0.81952 0.82099 0.82365 0.82488 0.83198 0.83958 0.84866 0.85405 0.86437 0.88554 0.89765 0.90407 0.91277 0.91635 0.92944 0.93091 0.94957 0.95182 0.96340 0.98851 0.99227 0.99686 1.01084 1.02015 1.03033 1.04591 1.05437 1.06159 1.06439 1.07332 1.07812 1.08367 1.08519 1.10007 1.10692 1.11557 1.12179 1.12586 1.13240 1.13639 1.13868 1.14425 1.15439 1.15853 1.16601 1.17033 1.17890 1.17954 1.18246 1.18906 1.19239 1.19962 1.20196 1.21022 1.21406 1.21980 1.22166 1.22759 1.22834 1.23626 1.23832 1.24331 1.24747 1.25179 1.25411 1.25707 1.26027 1.26194 1.27037 1.27880 1.28271 1.28660 1.28983 1.29707 1.30345 1.31412 1.31710 1.32030 1.32860 1.33514 1.33584 1.34159 1.34887 1.35653 1.36204 1.36837 1.37380 1.37754 1.38170 1.38923 1.39171 1.39799 1.40413 1.40736 1.41408 1.41823 1.42365 1.43112 1.43351 1.43772 1.44595 1.44856 1.45831 1.46579 1.47349 1.48313 1.48328 1.48807 1.49547 1.50584 1.50794 1.52428 1.52919 1.53468 1.53908 1.53978 1.54465 1.54791 1.55457 1.55768 1.56739 1.58278 1.58662 1.59146 1.59406 1.59761 1.61994 1.62331 1.62710 1.63683 1.64433 1.65658 1.66089 1.66708 1.66864 1.67368 1.67946 1.68668 1.68857 1.69134 1.69721 1.70414 1.70777 1.71451 1.72014 1.72305 1.72742 1.73116 1.73549 1.74198 1.74466 1.74633 1.74868 1.75031 1.75372 1.75464 1.75759 1.75925 1.76194 1.76612 1.77051 1.77399 1.77647 1.77903 1.78372 1.79099 1.79362 1.80070 1.80509 1.80721 1.80817 1.81247 1.81351 1.81826 1.82163 1.82692 1.82869 1.83304 1.83895 1.84823 1.85441 1.85868 1.87048 1.87613 1.88790 1.89363 1.89740 1.90202 1.90898 1.91320 1.91881 1.92757 1.93189 1.94093 1.94353 1.94929 1.95108 1.96121 1.96306 1.97026 1.97389 1.97682 1.98146 1.98551 1.98655 1.99210 1.99828 2.00057 2.00654 2.00814 2.01304 2.01914 2.02249 2.02677 2.03656 2.04393 2.04970 2.05511 2.05840 2.06747 2.07146 2.07562 2.08444 2.09462 2.09804 2.10841 2.11035 2.11758 2.12787 2.13159 2.13438 2.13909 2.14160 2.14624 2.15620 2.15881 2.16336 2.17537 2.18376 2.19791 2.20457 2.20883 2.20918 2.22135 2.22359 2.23604 2.25278 2.26578 2.28105 2.28234 2.28346 2.29205 2.29845 2.31930 2.32748 2.33458 2.33737 2.34011 2.34197 2.36113 2.38525 2.39416 2.39447 2.39645 2.40152 2.40277 2.40410 2.41568 2.42399 2.42930 2.43807 2.44194 2.44723 2.45099 2.45958 2.46034 2.46874 2.47291 2.47433 2.48224 2.49169 2.49626 2.49938 2.50266 2.53980 2.54178 2.54959 2.58878 2.59392 2.59841 2.60101 2.60983 2.62035 2.62578 2.63243 2.63520 2.64668 2.65044 2.65692 2.66692 2.67831 2.69373 2.69757 2.70219 2.70403 2.71821 2.72218 2.72395 2.72678 2.73120 2.73186 2.73862 2.74314 2.74928 2.75263 2.75620 2.76356 2.76817 2.77475 2.77905 2.78166 2.78446 2.79039 2.81200 2.82313 2.83385 2.83969 2.84078 2.84998 2.85305 2.85833 2.86274 2.88111 2.88203 2.88750 2.89455 2.90121 2.90673 2.91252 2.91467 2.91686 2.92167 2.92778 2.93022 2.94735 2.95131 2.95864 2.96260 2.96896 2.96994 2.97335 2.98130 2.98334 2.98481 2.99365 2.99460 2.99844 3.00181 3.00723 3.01428 3.01714 3.02257 3.02434 3.04634 3.05949 3.06270 3.08438 3.09143 3.11164 3.11471 3.12942 3.12998 3.13834 3.14214 3.15036 3.15340 3.15821 3.19599 3.20118 3.20606 3.21534 3.22564 3.23495 3.26851 3.30343 3.30948 3.31509 3.32315 3.33459 3.34122 3.37108 3.37573 3.38860 3.41278 3.58708 3.59418 3.60358 3.61617 3.65231 3.65979 3.66877 3.67457 3.67842 3.68211 3.68291 3.79783 4.83505 4.83658 4.83978 4.84132 4.84385 4.84447 4.84526 4.85250 4.85312 4.85520 4.85713 4.86212 4.93014 4.93818 4.93897 4.94020 4.95544 4.97061 4.97968 4.98870 5.01258 45.62178 -8.4822 -1.7172 -6.0727 10.5724 -195.4580 -273.4780 -281.4472 -3.4206 2.9524 -3.7386 54.6698 -23.3503 -31.3195 -3.4206 2.9524 -3.7386 43.0575 2.5833 -135.3508 88.3827 -10.1625 -76.3803 -54.5455 -14.8221 -11.3535 -8.9905 -9847.4662 -6705.9232 -6118.1516 164.8667 -134.2729 159.6610 263.4685 -491.2710 34.3404 -3065.3878 -3124.9211 -1845.0116 50.6651 -238.9071 32.7078 1 open 1 1 1 -6317.28653557023 -6317.28653557001 0.000000000222 -6317.28653557011 -0.000000000104 -6317.28653557 3 3.7709 6.227884047835e+03 -3.503002552477e+04 1.243961728941e+04 Using DIIS extrapolation, IDIIS= 1040. NGot= 104857600 LenX= 103195927 LenY= 102386827 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 3.7709 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 Ru Co Co Co C H C H C H C H C H C H C H C H C H C H C H C H C H C H C H C C H H H C C H H H C C H H H C C H H H N N N O O O O O O O O O O O O O C H H H H 99 59 59 59 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 13 1 1 1 13 13 1 1 1 13 13 1 1 1 13 13 1 1 1 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 17 13 1 1 1 1 -0.00000 0.03934 0.01422 0.06132 0.00001 0.00001 0.00015 0.00001 -0.00003 0.00000 0.00008 0.00001 -0.00015 0.00000 0.00005 0.00001 0.00010 0.00000 -0.00001 0.00000 0.00003 0.00000 -0.00007 0.00001 0.00051 0.00003 -0.00014 -0.00001 0.00016 0.00000 0.00005 0.00001 0.00017 -0.00001 0.00267 -0.00016 0.00005 0.00010 -0.00000 -0.00060 -0.00012 -0.00000 0.00006 0.00000 -0.00027 -0.00008 -0.00001 0.00000 0.00001 0.00448 -0.00132 0.00030 0.00002 0.00022 0.00741 0.00299 -0.00010 0.03154 0.00064 0.02837 0.02528 0.00526 0.01521 0.00137 -0.00002 -0.00090 0.00006 0.00635 0.18360 0.00881 0.23457 -0.00828 -0.00738 -0.00695 -0.02573 0.00028 13.87166 5.01294 21.62452 0.00264 0.00873 0.05647 0.02177 -0.01081 0.00682 0.02909 0.01941 -0.05777 0.00518 0.01833 0.01958 0.03616 0.00662 -0.00314 0.00257 0.01139 0.00547 -0.02519 0.00821 0.19258 0.04378 -0.05289 -0.01409 0.06154 0.00607 0.01920 0.01257 0.06551 -0.02005 0.99981 -0.05840 0.07461 0.15236 -0.00016 -0.22591 -0.04540 -0.00603 0.08896 0.00702 -0.10208 -0.02837 -0.01530 0.00466 0.01687 1.68019 -0.49278 0.44820 0.02649 0.32122 0.79845 0.32222 -0.01113 -6.37335 -0.12973 -5.73225 -5.10897 -1.06312 -3.07352 -0.27694 0.00467 0.18280 -0.01206 -1.28275 -37.10002 -1.78089 87.90020 -12.33783 -10.99984 -10.35281 -38.33576 0.00010 4.94975 1.78874 7.71617 0.00094 0.00311 0.02015 0.00777 -0.00386 0.00243 0.01038 0.00693 -0.02061 0.00185 0.00654 0.00699 0.01290 0.00236 -0.00112 0.00092 0.00406 0.00195 -0.00899 0.00293 0.06872 0.01562 -0.01887 -0.00503 0.02196 0.00217 0.00685 0.00448 0.02337 -0.00716 0.35676 -0.02084 0.02662 0.05437 -0.00006 -0.08061 -0.01620 -0.00215 0.03174 0.00251 -0.03642 -0.01012 -0.00546 0.00166 0.00602 0.59953 -0.17584 0.15993 0.00945 0.11462 0.28491 0.11498 -0.00397 -2.27417 -0.04629 -2.04541 -1.82301 -0.37935 -1.09671 -0.09882 0.00167 0.06523 -0.00430 -0.45772 -13.23821 -0.63546 31.36498 -4.40245 -3.92502 -3.69414 -13.67915 0.00009 4.62709 1.67214 7.21316 0.00088 0.00291 0.01884 0.00726 -0.00361 0.00227 0.00970 0.00647 -0.01927 0.00173 0.00611 0.00653 0.01206 0.00221 -0.00105 0.00086 0.00380 0.00183 -0.00840 0.00274 0.06424 0.01460 -0.01764 -0.00470 0.02053 0.00202 0.00640 0.00419 0.02185 -0.00669 0.33350 -0.01948 0.02489 0.05082 -0.00005 -0.07536 -0.01515 -0.00201 0.02967 0.00234 -0.03405 -0.00946 -0.00510 0.00156 0.00563 0.56045 -0.16437 0.14950 0.00884 0.10715 0.26633 0.10748 -0.00371 -2.12592 -0.04327 -1.91207 -1.70417 -0.35462 -1.02522 -0.09238 0.00156 0.06098 -0.00402 -0.42788 -12.37524 -0.59404 29.32035 -4.11546 -3.66915 -3.45333 -12.78743 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 -0.059088 0.043777 0.004374 0.006504 0.002365 0.001952 0.001348 0.000866 0.000889 0.000383 0.000910 -0.000298 0.004319 0.006495 0.002327 0.001991 0.001283 0.000916 0.000915 0.000433 0.000973 -0.000183 0.002907 0.001016 0.002978 0.002309 0.003777 0.003082 0.002956 0.002395 0.000797 -0.001695 -0.000491 -0.002178 -0.002711 -0.001750 -0.000454 -0.003867 -0.001573 -0.001232 -0.001311 -0.001142 -0.003717 -0.001732 -0.001158 -0.001633 -0.001301 0.007455 0.000224 -0.001287 0.000042 -0.000548 0.008618 0.005621 -0.000396 -0.136751 0.013897 0.104153 -0.059864 0.028733 -0.087184 -0.004974 -0.006275 -0.000037 -0.006789 -0.016373 -0.635424 0.052503 -0.306416 -0.014755 -0.034668 0.053456 -0.054668 0.084794 0.120903 -0.002493 -0.002641 -0.001201 -0.000908 -0.001056 -0.000573 -0.000989 -0.000720 -0.002082 -0.001816 -0.002032 -0.002395 -0.001074 -0.000888 -0.000772 -0.000543 -0.000865 -0.000658 -0.001480 -0.001517 -0.003853 -0.001859 -0.002529 -0.000889 -0.002715 -0.001799 -0.003427 -0.002333 -0.004580 -0.002934 0.011703 0.005698 0.005415 0.002786 0.002764 -0.001214 -0.000344 -0.000382 0.000255 -0.000605 -0.000103 0.000220 0.000157 0.000555 -0.000414 0.006207 0.002746 0.003935 0.002235 0.000504 -0.005281 -0.003354 -0.008174 -0.022179 -0.034220 0.136951 0.267026 -0.012502 -0.064477 0.006087 -0.010703 0.001168 -0.005036 -0.053953 0.731792 -0.017150 0.688506 0.009264 0.002708 -0.004399 0.180943 -0.025706 -0.164680 -0.001881 -0.003863 -0.001164 -0.001044 -0.000292 -0.000293 0.000100 0.000337 0.001172 0.002114 -0.002287 -0.004100 -0.001254 -0.001103 -0.000511 -0.000373 -0.000049 0.000225 0.000506 0.001700 0.000946 0.000843 -0.000450 -0.001419 -0.001062 -0.001283 0.000472 -0.000061 0.003782 0.004630 -0.011213 -0.003520 -0.002704 -0.001036 -0.002310 0.005081 0.001917 0.001614 0.001056 0.001746 0.003820 0.001512 0.001001 0.001079 0.001715 -0.013662 -0.002970 -0.002648 -0.002277 0.000044 -0.003337 -0.002268 0.008570 0.158931 0.020323 -0.241103 -0.207162 -0.016231 0.151661 -0.001113 0.016978 -0.001131 0.011825 0.070326 -0.096368 -0.035353 -0.382089 0.005491 0.031961 -0.049057 -0.126275 0.6019 0.747 0.2823 0.7983 -0.5725 -0.1873 -0.0217 -0.3381 0.9409 -0.2241 0.009 0.2151 5.49 -0.22 -5.27 1.959 -0.079 -1.88 1.831 -0.074 -1.758 1 Ru 99 0.8517 0.1447 -0.5037 0.3548 0.5483 0.7573 -0.3857 0.8237 -0.4156 -0.2605 0.0527 0.2078 -32.9 6.658 26.242 -11.74 2.376 9.364 -10.974 2.221 8.753 2 Co 59 0.8078 -0.2627 -0.5277 0.4716 -0.2491 0.8459 0.3536 0.9322 0.0773 -0.1134 0.0073 0.1061 -14.317 0.924 13.393 -5.109 0.33 4.779 -4.776 0.308 4.468 3 Co 59 -0.0535 0.0532 0.9971 0.9142 -0.399 0.0704 0.4016 0.9154 -0.0273 -0.1659 0.0259 0.1399 -20.944 3.276 17.669 -7.474 1.169 6.305 -6.986 1.093 5.894 4 Co 59 0.3546 0.9232 -0.1479 -0.2142 0.2342 0.9483 0.9101 -0.3046 0.2808 -0.0034 -0.0025 0.0059 -0.457 -0.339 0.797 -0.163 -0.121 0.284 -0.153 -0.113 0.266 5 C 13 0.2684 0.862 0.4299 -0.2586 -0.3654 0.8942 0.9279 -0.3512 0.1248 -0.0042 -0.004 0.0082 -2.238 -2.146 4.384 -0.799 -0.766 1.564 -0.747 -0.716 1.462 6 H 1 -0.1992 0.3504 0.9152 0.3287 0.9037 -0.2745 0.9232 -0.2461 0.2952 -0.0016 -0.0015 0.003 -0.211 -0.196 0.407 -0.075 -0.07 0.145 -0.07 -0.065 0.136 7 C 13 0.2623 0.9637 0.0496 -0.1715 -0.0041 0.9852 0.9496 -0.267 0.1642 -0.0012 -0.0011 0.0023 -0.615 -0.606 1.222 -0.22 -0.216 0.436 -0.205 -0.202 0.408 8 H 1 0.2235 0.9709 0.0859 -0.4594 0.0272 0.8878 0.8597 -0.2379 0.4521 -0.0012 -9.0E-4 0.0022 -0.168 -0.124 0.291 -0.06 -0.044 0.104 -0.056 -0.041 0.097 9 C 13 0.2126 0.9727 0.0928 -0.4422 0.0111 0.8968 0.8713 -0.2317 0.4325 -7.0E-4 -7.0E-4 0.0014 -0.364 -0.358 0.722 -0.13 -0.128 0.258 -0.121 -0.119 0.241 10 H 1 -0.6466 -0.4032 0.6476 -0.0795 0.8799 0.4684 0.7587 -0.2514 0.601 -0.0013 -0.0012 0.0025 -0.168 -0.163 0.331 -0.06 -0.058 0.118 -0.056 -0.054 0.111 11 C 13 0.6508 0.583 -0.4864 -0.2975 0.7852 0.5431 0.6986 -0.2088 0.6844 -8.0E-4 -8.0E-4 0.0017 -0.447 -0.439 0.886 -0.16 -0.157 0.316 -0.149 -0.146 0.296 12 H 1 0.1339 0.961 0.242 0.7345 0.0677 -0.6753 0.6653 -0.2681 0.6968 -0.0026 -0.002 0.0046 -0.35 -0.273 0.622 -0.125 -0.097 0.222 -0.117 -0.091 0.208 13 C 13 0.7394 -0.337 -0.5828 0.4071 0.9133 -0.0117 0.5362 -0.2286 0.8125 -0.0022 -0.0022 0.0043 -1.154 -1.149 2.303 -0.412 -0.41 0.822 -0.385 -0.383 0.768 14 H 1 -0.4126 0.7251 0.5514 -0.0075 -0.608 0.7939 0.9109 0.3234 0.2563 -0.0031 -0.0027 0.0058 -0.416 -0.368 0.784 -0.148 -0.131 0.28 -0.139 -0.123 0.261 15 C 13 -0.1182 0.107 0.9872 -0.338 0.9305 -0.1414 0.9337 0.3504 0.0738 -0.0042 -0.0038 0.008 -2.227 -2.054 4.28 -0.795 -0.733 1.527 -0.743 -0.685 1.428 16 H 1 -0.2847 0.0497 0.9573 -0.263 0.9563 -0.1279 0.9218 0.2881 0.2592 -0.0016 -0.0014 0.003 -0.21 -0.194 0.403 -0.075 -0.069 0.144 -0.07 -0.065 0.135 17 C 13 -0.2102 0.3161 0.9251 -0.2075 0.9103 -0.3582 0.9554 0.2673 0.1258 -0.0012 -0.0011 0.0023 -0.62 -0.602 1.222 -0.221 -0.215 0.436 -0.207 -0.201 0.408 18 H 1 -0.3753 -0.1838 0.9085 -0.3361 0.9404 0.0514 0.8638 0.286 0.4147 -0.001 -0.001 0.0021 -0.141 -0.138 0.278 -0.05 -0.049 0.099 -0.047 -0.046 0.093 19 C 13 -0.4159 0.0293 0.9089 -0.2219 0.966 -0.1327 0.8819 0.2569 0.3952 -7.0E-4 -7.0E-4 0.0014 -0.372 -0.362 0.734 -0.133 -0.129 0.262 -0.124 -0.121 0.245 20 H 1 -0.5778 -0.0736 0.8128 -0.2737 0.9557 -0.108 0.7689 0.2849 0.5724 -0.0012 -0.0012 0.0024 -0.167 -0.155 0.321 -0.059 -0.055 0.115 -0.056 -0.052 0.107 21 C 13 -0.6442 -0.1274 0.7542 -0.2796 0.957 -0.0771 0.7119 0.2605 0.6521 -9.0E-4 -8.0E-4 0.0017 -0.455 -0.441 0.896 -0.162 -0.158 0.32 -0.152 -0.147 0.299 22 H 1 -0.3714 -0.6085 0.7013 -0.6193 0.7251 0.3012 0.6918 0.3224 0.6461 -0.0023 -0.0021 0.0043 -0.306 -0.277 0.584 -0.109 -0.099 0.208 -0.102 -0.093 0.195 23 C 13 0.7392 0.2479 -0.6262 -0.3804 0.921 -0.0845 0.5558 0.3006 0.7751 -0.0022 -0.0021 0.0043 -1.181 -1.113 2.294 -0.421 -0.397 0.819 -0.394 -0.371 0.765 24 H 1 0.3691 0.6255 0.6874 -0.6112 0.7205 -0.3275 0.7001 0.2993 -0.6483 -0.0068 -0.0042 0.011 -0.918 -0.559 1.477 -0.328 -0.199 0.527 -0.306 -0.186 0.493 25 C 13 0.0246 0.7664 0.6419 0.8048 -0.3962 0.4421 -0.5931 -0.5057 0.6265 -0.0071 -0.005 0.0121 -3.784 -2.658 6.442 -1.35 -0.949 2.299 -1.262 -0.887 2.149 26 H 1 0.0983 0.785 0.6116 0.6221 -0.5282 0.5779 0.7767 0.3237 -0.5403 -0.0039 -0.0031 0.007 -0.522 -0.415 0.937 -0.186 -0.148 0.334 -0.174 -0.138 0.313 27 C 13 0.0539 0.5953 0.8017 -0.6067 0.6572 -0.4472 0.7931 0.4623 -0.3966 -0.0027 -0.0023 0.005 -1.452 -1.239 2.69 -0.518 -0.442 0.96 -0.484 -0.413 0.897 28 H 1 0.384 0.4735 0.7927 -0.3174 0.8739 -0.3682 0.867 0.1102 -0.4859 -0.0034 -0.0027 0.006 -0.455 -0.356 0.811 -0.162 -0.127 0.289 -0.152 -0.119 0.271 29 C 13 0.266 0.4863 0.8323 -0.2809 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30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 Ru Co Co Co C H C H C H C H C H C H C H C H C H C H C H C H C H C H C H C C H H H C C H H H C C H H H C C H H H N N N O O O O O O O O O O O O O C H H H H 99 59 59 59 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 13 1 1 1 13 13 1 1 1 13 13 1 1 1 13 13 1 1 1 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 17 13 1 1 1 1 -0.00000 0.03934 0.01422 0.06132 0.00001 0.00001 0.00015 0.00001 -0.00003 0.00000 0.00008 0.00001 -0.00015 0.00000 0.00005 0.00001 0.00010 0.00000 -0.00001 0.00000 0.00003 0.00000 -0.00007 0.00001 0.00051 0.00003 -0.00014 -0.00001 0.00016 0.00000 0.00005 0.00001 0.00017 -0.00001 0.00267 -0.00016 0.00005 0.00010 -0.00000 -0.00060 -0.00012 -0.00000 0.00006 0.00000 -0.00027 -0.00008 -0.00001 0.00000 0.00001 0.00448 -0.00132 0.00030 0.00002 0.00022 0.00741 0.00299 -0.00010 0.03154 0.00064 0.02837 0.02528 0.00526 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164.8667 -134.2729 159.6610 263.4685 -491.2710 34.3404 -3065.3878 -3124.9211 -1845.0116 50.6651 -238.9071 32.7078 GINC-C11-34 BASTIABS 2021-11-28T00:00:00.000 0 Molecule Name 0 4 Version=ES64L-G16RevC.01 HF=-6317.2865356 S2=3.770917 S2-1=0. S2A=3.750216 RMSD=1.483e-09 Dipole=-3.3371725,-0.6755945,-2.3891858 Quadrupole=40.645624,-17.3603672,-23.2852568,-2.5431112,2.1950053,-2.7795412 PG=Unknown 0 0.6421713337 0.2170750993 1.9130782501 0 -0.828387486 1.4616464237 -0.1323583336 0 -0.8318583789 -1.3343342187 0.0930999803 0 1.2948445768 -0.009102638 -0.9242252539 0 -3.6238477065 1.7403543531 0.2739381126 0 -3.2748788348 1.7048790184 1.3057729779 0 -4.966927703 1.885467819 -0.0674844808 0 -5.7167476523 1.9786830407 0.7193572003 0 -5.3234088602 1.8984299311 -1.4192913683 0 -6.3684205858 2.0089415219 -1.7165932088 0 -4.3211069518 1.7594360174 -2.3839374672 0 -4.5541491935 1.7516884184 -3.4495997614 0 -2.9995917338 1.6173949748 -1.9661655627 0 -2.1704424228 1.4917509785 -2.6617979405 0 -3.6269907878 -1.6241284323 0.5586491117 0 -3.2745324028 -1.4791157827 1.579714102 0 -4.9682767903 -1.8337312313 0.2449763448 0 -5.7112977519 -1.8643911528 1.0431322145 0 -5.3319499066 -1.9906171792 -1.0959223317 0 -6.3758203328 -2.1536905973 -1.372372539 0 -4.3387090931 -1.9263788135 -2.0777874285 0 -4.5785696127 -2.0293846983 -3.1370013516 0 -3.0180333725 -1.715480207 -1.6867274472 0 -2.1948030264 -1.6370427874 -2.3969464292 0 3.8036099398 1.2038319458 -0.3256488605 0 3.1596537178 2.0811281572 -0.3917432816 0 5.153498476 1.2812758323 0.0109777181 0 5.6072222144 2.2545349322 0.2034602623 0 5.8956578782 0.1001055855 0.1033394725 0 6.954537034 0.1289093508 0.3693400004 0 5.2583169049 -1.1188752217 -0.1455391247 0 5.7947509947 -2.0663819241 -0.0776646179 0 3.9046247778 -1.1150192022 -0.4763386608 0 3.3478086887 -2.0300452908 -0.6761926314 0 -0.6291696812 2.8755389208 2.354067549 0 -0.9223751207 4.0768994263 3.2229714092 0 -0.0752299241 4.7771584416 3.1427412633 0 -1.0184460918 3.7742194852 4.2738151495 0 -1.8302694561 4.5870320506 2.8769599365 0 0.6982322221 2.3393775682 -2.3598744155 0 0.9485308079 3.2996889667 -3.5018577347 0 2.0185152589 3.3305812895 -3.7455012069 0 0.5750565001 4.300754848 -3.2521148235 0 0.4048280053 2.9329372728 -4.387689424 0 0.6923579003 -2.5611185501 -1.9654926769 0 1.0107571133 -3.7367141758 -2.863115925 0 0.0926119866 -4.2831422965 -3.1154170775 0 1.6766241659 -4.4204124591 -2.3117046779 0 1.5289796142 -3.4011357246 -3.770236662 0 -0.5925536456 -2.3212381767 2.7958811779 0 -0.8191397297 -3.3865924381 3.8421951414 0 0.1275839563 -3.9314602539 3.9873135068 0 -1.5938871957 -4.0916440482 3.5176227518 0 -1.0885801839 -2.9218934972 4.8004423739 0 -2.6695386817 1.6193064251 -0.6638922964 0 -2.6804306942 -1.578865226 -0.3937247359 0 3.2041628101 0.026380183 -0.5691006945 0 -1.2376205061 0.1566164325 1.1686518473 0 -0.5496258464 -0.0312984404 -1.2016383897 0 0.9976234059 1.3437105903 0.3643027018 0 0.9834941022 -1.1386008872 0.5532303967 0 -1.0504297207 2.9117347656 1.1600565108 0 0.0519379674 1.943348735 2.8974720199 0 -0.2673867959 2.6229240739 -1.5847123346 0 1.4625753261 1.3251175725 -2.3051036117 0 -0.2777745589 -2.7142318493 -1.1610903418 0 1.4479014266 -1.5442672596 -2.0846734187 0 0.0508868225 -1.2869677852 3.1967082693 0 2.3625680037 0.2735728062 2.6946421665 0 -1.0217743018 -2.5473611699 1.6302729904 0 3.2075528998 -2.1756994383 2.7705772625 0 2.620323954 -2.5371424945 1.9204404315 0 2.8684671715 -2.5050315816 3.758598547 0 4.2926286228 -2.1389259758 2.6255014022 0 2.7960291409 -0.7416681488 2.7425299763 Gaussian 16 28-Nov-2021 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 UTPSSh def2TZVP SP #p utpssh/def2tzvp symmetry=none scf=(maxcycle=128,xqc) scrf=(cpcm,solvent=chloroform) empiricaldispersion=gd3 iop(3/175=1219000,3/176=1223000) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 816.1387000000004 AuxInfo=1/1/N:9,7,11,5,13,55;19,17,21,15,23,56;29,27,31,25,33,57;36,35,62,63;41,40,64,65;46,45,66,67;51,50,68,70;71;2;3;4;69;58;59;60;61;1/E:3*(2,3)(4,5);4*(3,4);;;;;;;;;;/CRV:3*1.3,2.3,3.3,4.3,5.3,6-1;4*2.3,3-1,4-1;1.3;;;;;;;;;/rA:75RuCoCoCoC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3HC3CHHHC3CHHHC3CHHHC3CHHHNNNO3O3O3O3OOOOOOOOOC3HHHH/rB:;;;;s5;s5;s7;s7;s9;s9;s11;s11;s13;;s15;s15;s17;s17;s19;s19;s21;s21;s23;;s25;s25;s27;s27;s29;s29;s31;s31;s33;;s35;s36;s36;s36;;s40;s41;s41;s41;;s45;s46;s46;s46;;s50;s51;s51;s51;s2s5s13;s3s15s23;s4s25s33;s1s2s3;s2s3s4;s1s2s4;s1s3s4;s2s35;s1s35;s2s40;s4s40;s3s45;s4s45;s1s50;s1;s3s50;;s71;s71;s71;s69;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; NProcShared=40 LindaWorkers=c11-34-ib chk=ru_ch4_4_ts.chk #p utpssh/def2tzvp symmetry=none scf=(maxcycle=128,xqc) scrf=(cpcm,sol 1/29=2,38=1,172=1/1 2/12=2,15=3,40=1/2 3/5=44,7=101,11=2,14=-4,25=1,30=1,70=2101,72=7,74=-35,116=2,124=31,175=1219000,176=1223000/1,2,3 4/5=1/1 5/5=2,7=128,8=3,13=1,38=6,53=7/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Molecule Name Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 102 59 59 59 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 1 12 12 1 1 1 12 12 1 1 1 12 12 1 1 1 12 12 1 1 1 14 14 14 16 16 16 16 16 16 16 16 16 16 16 16 16 12 1 1 1 1 101.9037000 58.9331978 58.9331978 58.9331978 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 14.0030740 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 0 7 7 7 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 1 0 0 1 1 1 0 0 1 1 1 0 0 1 1 1 0 0 1 1 1 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 221.7600000 25.3800000 25.3800000 25.3800000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 4.5500000 4.5500000 4.5500000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /cluster/software/Gaussian/g16_C.01/l101.exe) def2TZVP (5D, 7F) 0.10000e-02 0.10000e-05 F 75 75 75 1.00e+00 60 T IExCor= 2523 DFT=T Ex+Corr=TPSSh ExCW=0 ScaHFX= 0.100000 ScaDFX= 0.900000 0.900000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.1111210004 C-PCM UFF Total charges None On-the-fly selection Chloroform 4.711300 2.090627 0.0974416 0.0662924 0.0641395 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. PrsmSu: requested number of processors reduced to: 7 ShMem 1 Linda. PrsmSu: requested number of processors reduced to: 17 ShMem 1 Linda. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 194376 NPrTT= 622215 LenC2= 153607 LenP2D= 317815. LDataN: DoStor=T MaxTD1= 7 Len= 274 Number of processors reduced to 4 by ecpmxn. NBasis= 1601 RedAO= T EigKep= 1.72D-05 NBF= 1601 NBsUse= 1601 1.00D-06 EigRej= -1.00D+00 NBFU= 1601 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 44. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1729 1724 1726 1727 1729 MxSgAt= 75 MxSgA2= 75. 1 open 1 1 1 -6319.07551362012 -6319.20978237264 -0.134268752514 -6320.15344124212 -0.943658869481 -6320.14854382978 0.004897412338 -6320.15398047761 -0.005436647834 -6320.15399607401 -0.000015596397 -6320.15414578720 -0.000149713193 -6320.15423424211 -0.000088454906 -6320.15423740863 -0.000003166522 -6320.15423897519 -0.000001566556 -6320.15423950332 -0.000000528127 -6320.15423968892 -0.000000185604 -6320.15423980102 -0.000000112101 -6320.15423985124 -0.000000050220 -6320.15423988495 -0.000000033713 -6320.15423992921 -0.000000044256 -6320.15423997850 -0.000000049289 -6320.15424003199 -0.000000053493 -6320.15424007271 -0.000000040716 -6320.15424008780 -0.000000015087 -6320.15424009199 -0.000000004193 -6320.15424009405 -0.000000002066 -6320.15424009530 -0.000000001246 -6320.15424009558 -0.000000000278 -6320.15424009556 0.000000000022 -6320.15424009558 -0.000000000025 -6320.15424009570 -0.000000000113 -6320.15424010 27 3.7715 6.242984769844e+03 -3.505149703784e+04 1.244312037595e+04 Using DIIS extrapolation, IDIIS= 1040. NGot= 104857600 LenX= 98087356 LenY= 94743944 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 3.7715 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 Ru Co Co Co C H C H C H C H C H C H C H C H C H C H C H C H C H C H C H C C H H H C C H H H C C H H H C C H H H N N N O O O O O O O O O O O O O C H H H H 99 59 59 59 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 1 13 13 1 1 1 13 13 1 1 1 13 13 1 1 1 13 13 1 1 1 14 14 14 17 17 17 17 17 17 17 17 17 17 17 17 17 13 1 1 1 1 0.00000 0.04077 0.01562 0.06001 0.00004 0.00000 0.00011 0.00002 -0.00000 0.00000 0.00004 0.00002 -0.00011 0.00000 0.00006 0.00001 0.00007 0.00001 -0.00001 0.00000 0.00002 0.00001 -0.00005 0.00001 0.00041 0.00004 -0.00014 -0.00001 0.00015 0.00000 0.00003 0.00001 0.00014 -0.00002 0.00255 -0.00026 0.00008 0.00012 -0.00001 -0.00045 -0.00013 -0.00001 0.00007 0.00001 -0.00019 -0.00010 -0.00001 0.00001 0.00002 0.00326 -0.00099 0.00035 0.00001 0.00025 0.00598 0.00264 -0.00021 0.01629 -0.00045 0.00019 0.00020 0.00349 0.00156 0.00080 -0.00071 -0.00075 -0.00034 -0.00307 0.02003 0.00381 0.11949 -0.00679 -0.00588 -0.00549 -0.02689 -0.00022 14.37687 5.50715 21.16058 0.01625 0.00539 0.04296 0.02871 -0.00076 0.00612 0.01658 0.02304 -0.04101 0.00454 0.02089 0.02070 0.02783 0.01199 -0.00219 0.00319 0.00841 0.00781 -0.01977 0.01052 0.15221 0.06510 -0.05266 -0.01867 0.05491 0.00485 0.01125 0.00928 0.05280 -0.03267 0.95639 -0.09760 0.11711 0.17459 -0.01526 -0.16759 -0.04757 -0.00882 0.10258 0.00970 -0.07096 -0.03924 -0.01740 0.00863 0.02394 1.22041 -0.37027 0.52513 0.01194 0.37437 0.64402 0.28457 -0.02307 -3.29221 0.09178 -0.03791 -0.04025 -0.70457 -0.31426 -0.16195 0.14382 0.15189 0.06815 0.62124 -4.04800 -0.77067 44.77796 -10.12410 -8.75473 -8.17771 -40.06409 -0.00008 5.13003 1.96509 7.55062 0.00580 0.00192 0.01533 0.01025 -0.00027 0.00218 0.00592 0.00822 -0.01463 0.00162 0.00745 0.00739 0.00993 0.00428 -0.00078 0.00114 0.00300 0.00279 -0.00705 0.00375 0.05431 0.02323 -0.01879 -0.00666 0.01959 0.00173 0.00401 0.00331 0.01884 -0.01166 0.34126 -0.03483 0.04179 0.06230 -0.00545 -0.05980 -0.01697 -0.00315 0.03660 0.00346 -0.02532 -0.01400 -0.00621 0.00308 0.00854 0.43547 -0.13212 0.18738 0.00426 0.13359 0.22980 0.10154 -0.00823 -1.17474 0.03275 -0.01353 -0.01436 -0.25141 -0.11214 -0.05779 0.05132 0.05420 0.02432 0.22167 -1.44443 -0.27499 15.97789 -3.61253 -3.12390 -2.91801 -14.29587 -0.00007 4.79561 1.83699 7.05841 0.00542 0.00180 0.01433 0.00958 -0.00025 0.00204 0.00553 0.00769 -0.01368 0.00151 0.00697 0.00691 0.00928 0.00400 -0.00073 0.00106 0.00280 0.00261 -0.00659 0.00351 0.05077 0.02171 -0.01757 -0.00623 0.01831 0.00162 0.00375 0.00309 0.01761 -0.01090 0.31902 -0.03256 0.03906 0.05824 -0.00509 -0.05590 -0.01587 -0.00294 0.03422 0.00323 -0.02367 -0.01309 -0.00580 0.00288 0.00799 0.40709 -0.12351 0.17517 0.00398 0.12488 0.21482 0.09492 -0.00769 -1.09816 0.03061 -0.01264 -0.01343 -0.23502 -0.10483 -0.05402 0.04797 0.05066 0.02273 0.20722 -1.35027 -0.25707 14.93632 -3.37704 -2.92026 -2.72779 -13.36394 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 -0.069850 0.049115 0.004462 0.006582 0.002409 0.001970 0.001378 0.000872 0.000899 0.000384 0.000909 -0.000312 0.004383 0.006552 0.002351 0.002006 0.001311 0.000921 0.000922 0.000431 0.000980 -0.000203 0.003053 0.001158 0.002963 0.002327 0.003773 0.003065 0.002982 0.002376 0.000910 -0.001580 0.000074 -0.002113 -0.002736 -0.001772 -0.000476 -0.003955 -0.001579 -0.001235 -0.001321 -0.001148 -0.003792 -0.001731 -0.001166 -0.001630 -0.001302 0.008187 0.000294 -0.001353 -0.000000 -0.000615 0.009148 0.006029 -0.000372 -0.153793 0.016102 0.119386 -0.054348 0.030844 -0.089837 -0.005080 -0.006570 -0.000103 -0.006833 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