Gaussian 09 GINC-KIMIK2026 CBGUSER 000053695 EM64L-G09RevD.01 22-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 314.23619999999977 1 1 AuxInfo=1/0/N:20,21,23,25,16,19,22,24,13,14,12,17,7,10,8,15,18,11,9,6,3,4,5,2,1/E:(9,10)(21,22)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,14.3,15.3,16.3,17.3,18.3,19.3,20.2/rA:47ONNNNN2CC3C3C3C3CCCC3C3CC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s7;s2s3s4;s8;s5s8;s2;s3;s4s13;s5s10;s10;s1s12;s6s11;s15;s16;s19s20;s18;s22;s6;s23s24;s7;s7;s12;s12;s13;s13;s14;s14;s3;s4;s5;s16;s17;s17;s19;s20;s21;s22;s1;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-17377.inp" -scrdir="/scratch/" chk=000053695.chk nprocshared=4 mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000053695 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 16 14 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 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 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 10 10 11 12 12 12 13 13 13 14 14 15 16 16 17 17 18 19 19 20 20 21 22 22 23 23 24 24 25 17 44 7 9 12 9 13 34 9 14 35 11 15 36 18 24 8 26 27 10 11 15 16 18 17 28 29 14 30 31 32 33 19 20 37 38 39 22 21 40 21 41 42 23 43 25 45 25 46 47 1.4214 0.9725 1.4659 1.3965 1.4645 1.3965 1.4625 1.0154 1.3966 1.4625 1.0143 1.3692 1.3766 1.0111 1.3496 1.3519 1.479 1.095 1.0962 1.423 1.3758 1.3965 1.4091 1.4444 1.5173 1.0943 1.0961 1.5366 1.0936 1.0935 1.0934 1.0935 1.3994 1.3996 1.0861 1.0943 1.0946 1.3827 1.3977 1.0848 1.3935 1.0867 1.087 1.3905 1.0852 1.3905 1.0858 1.3857 1.085 1.0839 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 17 7 7 9 9 9 13 9 9 14 11 11 15 18 2 2 2 8 8 26 7 7 10 2 2 3 8 8 15 5 5 8 2 2 2 17 17 28 3 3 3 14 14 30 4 4 4 13 13 32 5 5 10 10 10 20 1 1 1 12 12 38 6 6 11 15 15 21 16 16 21 19 19 20 18 18 23 22 22 25 6 6 25 23 23 24 1 2 2 2 3 3 3 4 4 4 5 5 5 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 44 9 12 12 13 34 34 14 35 35 15 36 36 24 8 26 27 26 27 27 10 11 11 3 4 4 15 16 16 8 18 18 17 28 29 28 29 29 14 30 31 30 31 31 13 32 33 32 33 33 10 19 19 20 37 37 12 38 39 38 39 39 11 22 22 21 40 40 21 41 41 20 42 42 23 43 43 25 45 45 25 46 46 24 47 47 107.5321 120.4504 118.9908 120.5588 108.1152 125.118 126.754 108.1198 125.3265 126.4248 110.1768 125.2085 124.6147 116.161 109.6546 107.8505 109.845 112.7566 109.7985 106.8656 125.9702 126.3087 107.7211 123.7156 123.7207 112.5637 107.0643 134.162 118.7738 107.9221 121.6062 130.4716 111.2591 110.6936 109.4168 111.0487 109.2626 104.9535 105.6051 109.1288 109.1766 111.5531 111.5949 109.6627 105.5963 109.1823 109.0978 111.6353 111.5406 109.6672 107.1158 130.226 122.6582 119.1969 121.0786 119.7245 109.1582 108.3473 108.8892 110.9963 111.4398 107.9342 114.4322 124.442 121.1258 117.5513 121.4638 120.9849 120.7766 119.5236 119.6998 121.0433 119.4041 119.5527 117.7171 122.0299 120.253 119.7366 120.1368 120.1266 124.0417 115.142 120.8163 117.9017 121.0148 121.0835 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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 44 44 44 9 9 9 12 12 12 7 7 12 12 7 7 7 9 9 9 13 13 34 34 9 9 9 34 34 34 14 14 35 35 9 9 9 35 35 35 15 15 36 36 11 11 36 36 24 24 18 18 2 2 26 26 27 27 7 7 11 11 7 7 10 10 8 8 16 16 8 8 15 15 5 5 8 8 2 2 2 28 28 28 29 29 29 3 3 3 30 30 30 31 31 31 5 5 10 10 10 10 37 37 6 6 11 11 15 15 40 40 16 16 41 41 18 18 43 43 22 22 45 45 6 6 46 46 1 1 1 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 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 23 23 23 23 24 24 24 24 17 17 17 7 7 7 7 7 7 9 9 9 9 12 12 12 12 12 12 9 9 9 9 13 13 13 13 13 13 9 9 9 9 14 14 14 14 14 14 11 11 11 11 15 15 15 15 18 18 24 24 8 8 8 8 8 8 10 10 10 10 11 11 11 11 15 15 15 15 16 16 16 16 18 18 18 18 17 17 17 17 17 17 17 17 17 14 14 14 14 14 14 14 14 14 19 19 19 19 20 20 20 20 22 22 22 22 21 21 21 21 21 21 21 21 23 23 23 23 25 25 25 25 25 25 25 25 12 38 39 8 26 27 8 26 27 3 4 3 4 17 28 29 17 28 29 2 4 2 4 14 30 31 14 30 31 2 3 2 3 13 32 33 13 32 33 8 18 8 18 10 19 10 19 11 22 25 46 10 11 10 11 10 11 15 16 15 16 5 18 5 18 5 19 5 19 20 37 20 37 6 22 6 22 1 38 39 1 38 39 1 38 39 4 32 33 4 32 33 4 32 33 21 40 21 40 21 41 21 41 23 43 23 43 20 42 20 42 19 42 19 42 25 45 25 45 24 47 24 47 23 47 23 47 60.6089 -178.4038 -61.2516 61.9854 -61.1445 -177.2656 -118.1106 118.7595 2.6384 -179.9959 0.0136 0.1016 -179.8889 -88.5363 147.4819 32.2924 91.3676 -32.6142 -147.8037 -179.9955 -0.004 -1.2265 178.7649 0.0269 -120.012 120.1403 -178.7163 61.2448 -58.6029 179.9693 -0.0221 3.8837 -176.1078 0.0373 -120.1218 120.0403 176.0682 55.9091 -63.9288 0.003 179.9356 -179.9941 -0.0615 -0.0092 -179.9924 179.9879 0.0047 -179.9902 -0.014 0.0095 -179.8769 -135.0029 45.0494 -14.8181 165.2343 104.22 -75.7277 -179.9656 0.0392 -0.0099 179.9949 179.9599 0.0353 0.0044 -179.9202 0.0116 179.9964 -179.9924 -0.0076 -179.9975 -0.0149 0.0078 179.9903 90.0685 -89.9086 -90.0157 90.0072 178.7501 59.3919 -60.9432 -57.4697 -176.8279 62.837 57.8309 -61.5273 178.1376 -0.039 118.4966 -118.4229 118.394 -123.0703 0.0102 -118.5517 -0.016 123.0644 179.9893 -0.0191 0.0083 180.0 -0.0092 179.9991 -179.992 0.0163 0.0172 179.9212 179.9919 -0.1041 -0.0094 179.9959 179.9989 0.0041 0.0102 -179.9951 -179.9982 -0.0035 -0.0153 179.9324 -179.9211 0.0267 0.0114 179.9265 -179.9364 -0.0212 -0.0086 -179.9237 179.8717 -0.0434 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 273 282 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 18915 NPrTT= 96732 LenC2= 16778 LenP2D= 52830. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 294 RedAO= T EigKep= 5.49D-04 NBF= 294 NBsUse= 294 1.00D-06 EigRej= -1.00D+00 NBFU= 294 Using GEDIIS/GDIIS optimizer. local minimum Step number 42 out of a maximum of 273 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00052 0.00064 0.00175 0.00292 0.00601 0.00735 0.00816 0.00917 0.01200 0.01276 0.01471 0.01499 0.01676 0.01952 0.02010 0.02025 0.02057 0.02091 0.02105 0.02116 0.02130 0.02140 0.02151 0.02165 0.02222 0.02236 0.02250 0.02280 0.02306 0.02333 0.02391 0.02643 0.03002 0.03556 0.04221 0.04269 0.04513 0.05410 0.05624 0.05952 0.05993 0.06163 0.06579 0.07343 0.08149 0.08175 0.08269 0.09754 0.10538 0.10716 0.11180 0.12355 0.13477 0.14398 0.15149 0.15787 0.15953 0.15989 0.15997 0.15997 0.16002 0.16004 0.16023 0.16101 0.16266 0.16737 0.19842 0.21804 0.21994 0.22008 0.22480 0.22612 0.23328 0.23927 0.23970 0.24222 0.24474 0.24832 0.25138 0.25397 0.25746 0.27239 0.28029 0.29480 0.31963 0.33668 0.33941 0.34047 0.34101 0.34289 0.34345 0.34360 0.34412 0.34416 0.34475 0.34635 0.34699 0.35010 0.35160 0.35191 0.35306 0.35341 0.35405 0.35431 0.35522 0.35605 0.36699 0.37454 0.38540 0.39621 0.41073 0.41524 0.43137 0.43776 0.44103 0.44585 0.44880 0.44953 0.45149 0.45248 0.45473 0.45703 0.46256 0.46285 0.46869 0.47231 0.47894 0.48537 0.49911 0.51892 0.52798 0.53736 0.54181 0.68893 0.75699 RFO step: Lambda=-1.67951826D-08. 1 2 0.00123145 0.00000050 0.00000097 0.00000094 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 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 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 2.76578 1.86928 2.85790 2.55202 2.80450 2.59342 2.80698 1.92161 2.57672 2.80697 1.93527 2.65716 2.63565 1.92300 2.60337 2.57377 2.84748 2.09269 2.07921 2.74486 2.67278 2.71940 2.69608 2.78139 2.91472 2.08992 2.07777 2.95601 2.08721 2.08185 2.08647 2.08189 2.66729 2.66057 2.07286 2.09704 2.10149 2.69209 2.66167 2.06915 2.69719 2.06897 2.06854 2.66217 2.06878 2.67039 2.06794 2.66957 2.07179 2.06607 1.93434 2.13063 2.05322 2.09542 1.95264 2.17334 2.15503 1.95411 2.17259 2.15396 1.92774 2.18393 2.17145 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0.00016 0.00016 0.00024 0.00099 0.00096 0.00105 0.00101 -0.00023 -0.00028 -0.00027 -0.00020 -0.00025 -0.00024 -0.00028 -0.00033 -0.00032 0.00061 0.00065 0.00058 0.00067 0.00071 0.00064 0.00062 0.00065 0.00059 0.00018 0.00010 0.00009 0.00000 -0.00004 0.00000 -0.00012 -0.00008 0.00024 0.00045 0.00028 0.00049 0.00004 -0.00002 0.00013 0.00007 -0.00006 -0.00001 -0.00010 -0.00005 -0.00011 -0.00004 -0.00032 -0.00025 -0.00012 -0.00004 -0.00019 -0.00011 0.00026 0.00018 0.00013 0.00006 2.76570 1.86926 2.85798 2.55203 2.80448 2.59342 2.80699 1.92161 2.57671 2.80696 1.93524 2.65717 2.63568 1.92300 2.60330 2.57378 2.84746 2.09269 2.07920 2.74481 2.67279 2.71941 2.69607 2.78143 2.91473 2.08995 2.07778 2.95600 2.08720 2.08186 2.08646 2.08190 2.66729 2.66057 2.07285 2.09704 2.10149 2.69215 2.66167 2.06915 2.69718 2.06897 2.06854 2.66216 2.06877 2.67039 2.06794 2.66957 2.07178 2.06607 1.93436 2.13063 2.05308 2.09554 1.95269 2.17329 2.15500 1.95416 2.17250 2.15399 1.92773 2.18395 2.17143 2.06805 2.02932 1.88362 1.82595 1.90868 1.92023 1.89057 2.16933 2.24254 1.87039 2.17533 2.19856 1.90929 1.87449 2.33617 2.07238 1.88456 2.11025 2.28737 1.97702 1.92720 1.86215 1.89689 1.94343 1.85327 1.78722 1.93190 1.93658 1.95389 1.95318 1.89974 1.79472 1.92944 1.93396 1.95410 1.95335 1.89728 1.86720 2.27492 2.14098 2.07307 2.11922 2.08982 1.81074 1.95523 1.94073 1.93008 1.93571 1.89129 2.04078 2.11298 2.12924 2.04789 2.12581 2.10943 2.11617 2.08870 2.07817 2.11567 2.08554 2.08186 2.08828 2.12298 2.07187 2.07973 2.09803 2.10542 2.15802 2.02383 2.10133 2.05927 2.12162 2.10229 -2.93665 -0.85439 1.26487 1.03387 -1.11712 -3.12777 -2.20295 1.92924 -0.08140 3.01367 -0.12107 -0.03044 3.11801 -1.51858 2.63255 0.62593 1.52979 -0.60227 -2.60889 3.04603 -0.10145 -0.02609 3.10962 0.19582 -1.88953 2.28252 -3.01440 1.18344 -0.92769 3.08623 -0.04938 -0.12982 3.01776 0.16570 -1.92292 2.25561 -2.90236 1.29221 -0.81245 -0.01598 3.08239 3.13830 -0.04652 -0.00089 -3.12852 3.12812 0.00049 3.12043 -0.00134 0.00756 -3.13592 -1.85094 1.34306 0.28696 -2.80222 2.36144 -0.72775 -3.12521 -0.00331 -0.02654 3.09536 3.12229 0.02989 0.02601 -3.06640 0.01693 -3.13731 -3.10847 0.02048 -3.13833 -0.04661 -0.01816 3.07355 3.13825 -0.02336 -0.05788 3.06370 -2.94343 1.24036 -0.85834 -0.79456 -2.89396 1.29053 1.24088 -0.85851 -2.95721 -0.20480 1.86664 -2.28122 1.86508 -2.34666 -0.21134 -2.27986 -0.20841 1.92691 3.11931 -0.01078 -0.00642 -3.13651 0.00294 3.12606 -3.08963 0.03348 -0.00532 3.12477 -3.12608 0.00401 -0.00957 -3.13472 3.12064 -0.00451 0.01148 3.13667 -3.11174 0.01344 0.00595 -3.14118 -3.12448 0.01157 -0.00022 3.13925 -3.13625 0.00322 -0.00680 3.13689 3.13677 -0.00273 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000039 0.000005 0.005347 0.001231 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -3.699251e-08 Optimization completed. -- 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 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 10 10 11 12 12 12 13 13 13 14 14 15 16 16 17 17 18 19 19 20 20 21 22 22 23 23 24 24 25 17 44 7 9 12 9 13 34 9 14 35 11 15 36 18 24 8 26 27 10 11 15 16 18 17 28 29 14 30 31 32 33 19 20 37 38 39 22 21 40 21 41 42 23 43 25 45 25 46 47 1.4636 0.9892 1.5123 1.3505 1.4841 1.3724 1.4854 1.0169 1.3635 1.4854 1.0241 1.4061 1.3947 1.0176 1.3776 1.362 1.5068 1.1074 1.1003 1.4525 1.4144 1.439 1.4267 1.4718 1.5424 1.1059 1.0995 1.5643 1.1045 1.1017 1.1041 1.1017 1.4115 1.4079 1.0969 1.1097 1.1121 1.4246 1.4085 1.0949 1.4273 1.0949 1.0946 1.4088 1.0948 1.4131 1.0943 1.4127 1.0963 1.0933 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 17 7 7 9 9 9 13 9 9 14 11 11 15 18 2 2 2 8 8 26 7 7 10 2 2 3 8 8 15 5 5 8 2 2 2 17 17 28 3 3 3 14 14 30 4 4 4 13 13 32 5 5 10 10 10 20 1 1 1 12 12 38 6 6 11 15 15 21 16 16 21 19 19 20 18 18 23 22 22 25 6 6 25 23 23 24 1 2 2 2 3 3 3 4 4 4 5 5 5 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 44 9 12 12 13 34 34 14 35 35 15 36 36 24 8 26 27 26 27 27 10 11 11 3 4 4 15 16 16 8 18 18 17 28 29 28 29 29 14 30 31 30 31 31 13 32 33 32 33 33 10 19 19 20 37 37 12 38 39 38 39 39 11 22 22 21 40 40 21 41 41 20 42 42 23 43 43 25 45 45 25 46 46 24 47 47 110.8298 122.076 117.641 120.0587 111.8778 124.5233 123.4741 111.9621 124.48 123.4127 110.4512 125.1298 124.4148 118.4896 116.2747 107.9256 104.6212 109.3545 110.0249 108.3144 124.2813 128.5027 107.1631 124.6342 125.9695 109.3954 107.4005 133.8532 118.7374 107.9785 120.9066 131.0568 113.2738 110.4196 106.6907 108.6841 111.3514 106.1879 102.3985 110.6874 110.958 111.9504 111.911 108.848 102.8274 110.5475 110.8067 111.9638 111.9199 108.7073 106.9827 130.343 122.6694 118.7789 121.424 119.7355 103.7439 112.0275 111.1987 110.5817 110.9102 108.3643 116.9264 121.0649 121.9986 117.3356 121.7997 120.8614 121.2477 119.674 119.07 121.2187 119.4937 119.281 119.6501 121.6361 118.7104 119.1599 120.2083 120.631 123.6462 115.9568 120.3969 117.9871 121.5587 120.4541 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 44 44 44 9 9 9 12 12 12 7 7 12 12 7 7 7 9 9 9 13 13 34 34 9 9 9 34 34 34 14 14 35 35 9 9 9 35 35 35 15 15 36 36 11 11 36 36 24 24 18 18 2 2 26 26 27 27 7 7 11 11 7 7 10 10 8 8 16 16 8 8 15 15 5 5 8 8 2 2 2 28 28 28 29 29 29 3 3 3 30 30 30 31 31 31 5 5 10 10 10 10 37 37 6 6 11 11 15 15 40 40 16 16 41 41 18 18 43 43 22 22 45 45 6 6 46 1 1 1 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 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 23 23 23 23 24 24 24 17 17 17 7 7 7 7 7 7 9 9 9 9 12 12 12 12 12 12 9 9 9 9 13 13 13 13 13 13 9 9 9 9 14 14 14 14 14 14 11 11 11 11 15 15 15 15 18 18 24 24 8 8 8 8 8 8 10 10 10 10 11 11 11 11 15 15 15 15 16 16 16 16 18 18 18 18 17 17 17 17 17 17 17 17 17 14 14 14 14 14 14 14 14 14 19 19 19 19 20 20 20 20 22 22 22 22 21 21 21 21 21 21 21 21 23 23 23 23 25 25 25 25 25 25 25 12 38 39 8 26 27 8 26 27 3 4 3 4 17 28 29 17 28 29 2 4 2 4 14 30 31 14 30 31 2 3 2 3 13 32 33 13 32 33 8 18 8 18 10 19 10 19 11 22 25 46 10 11 10 11 10 11 15 16 15 16 5 18 5 18 5 19 5 19 20 37 20 37 6 22 6 22 1 38 39 1 38 39 1 38 39 4 32 33 4 32 33 4 32 33 21 40 21 40 21 41 21 41 23 43 23 43 20 42 20 42 19 42 19 42 25 45 25 45 24 47 24 47 23 47 23 -168.2625 -48.9641 72.4656 59.2787 -63.9617 -179.157 -126.1638 110.5958 -4.5995 172.6665 -6.9431 -1.7626 178.6278 -87.0267 150.8164 35.8435 87.6454 -34.5115 -149.4844 174.5133 -5.8216 -1.5371 178.128 11.2479 -108.2322 130.8088 -172.6531 67.8667 -53.0922 176.8135 -2.846 -7.4478 172.8927 9.5272 -110.1428 129.2696 -166.2646 74.0654 -46.5222 -0.9139 176.6067 179.8022 -2.6772 -0.0596 -179.2547 179.2305 0.0354 178.7961 -0.0704 0.441 -179.6741 -106.0284 76.9624 16.466 -160.5432 135.3153 -41.6939 -179.0823 -0.215 -1.5316 177.3358 178.9096 1.7311 1.4958 -175.6828 0.9815 -179.7472 -178.087 1.1842 -179.8173 -2.6799 -1.05 176.0874 179.7518 -1.393 -3.3763 175.4789 -168.633 71.0837 -49.1638 -45.5138 -165.7971 73.9554 71.1133 -49.17 -169.4175 -11.7695 106.9137 -130.7377 106.8227 -134.494 -12.1455 -130.6617 -11.9784 110.3702 178.7127 -0.6235 -0.3728 -179.7091 0.171 179.1099 -177.0158 1.923 -0.3187 179.0104 -179.1271 0.202 -0.5504 -179.605 178.7924 -0.2622 0.6616 179.7182 -178.2836 0.773 0.3477 -179.9738 -179.001 0.6775 -0.0057 179.8684 -179.6828 0.1913 -0.4042 179.7202 179.7158 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 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 0 314.23619999999977 AuxInfo=1/0/N:20,21,23,25,16,19,22,24,13,14,12,17,7,10,8,15,18,11,9,6,3,4,5,2,1/E:(9,10)(21,22)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,14.3,15.3,16.3,17.3,18.3,19.3,20.2/rA:47ONNNNN2CC3C3C3C3CCCC3C3CC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s7;s2s3s4;s8;s5s8;s2;s3;s4s13;s5s10;s10;s1s12;s6s11;s15;s16;s19s20;s18;s22;s6;s23s24;s7;s7;s12;s12;s13;s13;s14;s14;s3;s4;s5;s16;s17;s17;s19;s20;s21;s22;s1;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.695097 0.000000 4.554323 2.462750 0.000000 5.859000 2.462878 2.323180 0.000000 7.432788 4.212030 5.474669 4.259227 0.000000 5.493085 3.134547 3.504196 3.876179 3.205071 0.000000 4.529786 1.465901 3.791625 2.916440 3.656176 3.772561 0.000000 5.752694 2.407253 4.293514 3.005187 2.219659 3.315180 1.479027 0.000000 4.541997 1.396456 1.396475 1.396554 4.455506 3.214887 2.484719 2.991455 0.000000 7.074686 3.655768 5.286392 3.476282 2.230878 4.412150 2.585469 1.422957 3.961165 0.000000 6.064014 2.956047 4.468088 3.593025 1.369207 2.349535 2.547573 1.375794 3.426100 2.260397 0.000000 2.395422 1.464499 2.917881 3.791353 5.122379 3.355910 2.524799 3.522526 2.484835 4.891354 3.763568 0.000000 5.954362 3.661736 1.462509 2.389191 5.956027 4.316851 4.776871 5.039833 2.314979 5.743107 5.212680 4.352802 0.000000 6.666264 3.661856 2.389345 1.462490 5.258702 4.522752 4.351556 4.379809 2.315093 4.742851 4.744489 4.777386 1.536556 0.000000 7.985270 4.561817 5.923814 4.222244 1.376593 4.344498 3.702601 2.267445 4.742607 1.396514 2.251658 5.699301 6.264341 5.275148 0.000000 7.769505 4.460996 6.039172 3.976013 3.557539 5.736919 3.278658 2.608459 4.686421 1.409068 3.655167 5.762288 6.358417 5.173381 2.414564 0.000000 1.421378 2.461371 3.565639 4.547905 6.474494 4.852154 3.313202 4.623060 3.309134 5.876659 5.130336 1.517300 4.936941 5.444562 6.878229 6.489507 0.000000 5.485807 3.059377 4.291363 4.194871 2.456374 1.349647 3.190430 2.560974 3.601285 3.683190 1.444362 3.328473 5.224415 5.172738 3.623085 5.055802 4.822971 0.000000 9.358834 5.893759 7.114459 5.230902 2.518256 5.596554 4.985525 3.611781 5.959893 2.453131 3.621676 7.080972 7.269530 6.121332 1.399427 2.830511 8.220814 4.933951 0.000000 9.164654 5.800051 7.198943 5.014835 4.121480 6.728103 4.657829 3.812513 5.899702 2.422507 4.612659 7.119552 7.338987 6.018177 2.764041 1.399630 7.885105 6.056060 2.429913 0.000000 9.866744 6.396686 7.665309 5.551263 3.722785 6.667180 5.349624 4.193889 6.438564 2.800248 4.597149 7.680664 7.742431 6.439604 2.391965 2.428370 8.641707 6.003889 1.397723 1.393542 0.000000 5.450382 3.863757 5.335056 5.442135 3.321431 2.417536 3.866667 3.436888 4.695953 4.548711 2.462301 3.702034 6.420285 6.479828 4.477871 5.876809 5.080982 1.382744 5.729971 6.872369 6.808617 0.000000 5.386965 4.592563 5.670374 6.275061 4.555776 2.795257 4.921700 4.692845 5.345678 5.877436 3.714061 4.047598 6.804585 7.147398 5.789680 7.210337 5.340987 2.373560 7.024848 8.231349 8.149555 1.390450 0.000000 5.414581 3.964399 3.993672 4.956414 4.421680 1.351879 4.803372 4.554568 4.084853 5.724249 3.586112 3.704496 4.874703 5.428319 5.639162 7.050927 5.102239 2.293033 6.871162 8.066144 7.986932 2.728701 2.378437 0.000000 5.373550 4.646919 5.087571 6.077809 5.020759 2.417619 5.335874 5.166166 5.094732 6.390120 4.166366 4.058246 6.126353 6.697042 6.296060 7.738210 5.358518 2.723349 7.538337 8.775876 8.687324 2.405205 1.390539 1.385656 0.000000 4.933532 2.081374 4.084086 2.877360 4.351183 4.725219 1.095050 2.153981 2.760625 2.756143 3.434753 3.212354 4.893973 4.288842 4.077262 2.957348 3.605077 4.237068 5.196206 4.346301 5.278232 4.955273 6.012874 5.784001 6.388700 0.000000 4.198409 2.107515 4.569163 3.992667 4.109930 4.206674 1.096225 2.118389 3.387199 3.192012 2.971756 2.560610 5.701780 5.407976 4.238369 3.844398 3.189479 3.399755 5.510375 5.194087 5.884573 3.672743 4.690652 5.071310 5.322697 1.759941 0.000000 2.649549 2.115376 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314.23619999999977 AuxInfo=1/0/N:20,21,23,25,16,19,22,24,13,14,12,17,7,10,8,15,18,11,9,6,3,4,5,2,1/E:(9,10)(21,22)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,14.3,15.3,16.3,17.3,18.3,19.3,20.2/rA:47ONNNNN2CC3C3C3C3CCCC3C3CC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s7;s2s3s4;s8;s5s8;s2;s3;s4s13;s5s10;s10;s1s12;s6s11;s15;s16;s19s20;s18;s22;s6;s23s24;s7;s7;s12;s12;s13;s13;s14;s14;s3;s4;s5;s16;s17;s17;s19;s20;s21;s22;s1;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.716628 0.000000 4.312275 2.411193 0.000000 5.756193 2.417878 2.232829 0.000000 7.898407 4.586451 6.127892 4.641756 0.000000 4.999132 3.298255 5.232045 5.101500 3.724072 0.000000 4.648941 1.512336 3.793859 2.963320 3.754643 3.053253 0.000000 5.978736 2.564220 4.485592 3.118589 2.281512 3.029749 1.506821 0.000000 4.429340 1.350469 1.372381 1.363540 4.947745 4.357555 2.506012 3.153598 0.000000 7.204965 3.625580 5.126630 3.223220 2.277846 4.416683 2.616466 1.452516 3.808511 0.000000 6.536815 3.425055 5.242078 4.104371 1.406108 2.429132 2.631452 1.414374 4.050690 2.307105 0.000000 2.365114 1.484076 2.878227 3.752497 5.602443 3.210668 2.563620 3.724936 2.456420 4.971119 4.285656 0.000000 5.732416 3.665832 1.485388 2.384314 6.621052 6.394417 4.853350 5.258154 2.368338 5.561625 6.001150 4.344804 0.000000 6.519550 3.668165 2.377189 1.485384 5.820777 6.396957 4.426118 4.559991 2.362321 4.489598 5.435872 4.786982 1.564251 0.000000 8.275429 4.712047 6.096843 4.227730 1.394726 4.723026 3.783700 2.330414 4.860664 1.439047 2.300626 5.967300 6.408549 5.332791 0.000000 7.721792 4.222630 5.415016 3.313199 3.618387 5.675824 3.296786 2.648913 4.168424 1.426705 3.719199 5.645398 5.655265 4.362151 2.465885 0.000000 1.463588 2.527927 3.493320 4.546302 6.880337 4.492386 3.379104 4.797286 3.303081 5.917692 5.571840 1.542405 4.928486 5.440484 7.087163 6.323524 0.000000 6.229447 3.830913 5.666025 5.058310 2.503898 1.377643 3.320071 2.627049 4.660672 3.758224 1.471846 4.196306 6.600223 6.346044 3.690113 5.148551 5.554530 0.000000 9.604550 5.975521 7.127187 5.086700 2.546827 6.111682 5.068931 3.683950 5.950759 2.501184 3.683238 7.298498 7.211965 5.960398 1.411471 2.887694 8.370174 5.010569 0.000000 9.113862 5.571304 6.531055 4.323963 4.169628 6.854540 4.685490 3.857762 5.373206 2.439630 4.673732 7.016157 6.529941 5.083010 2.796640 1.407915 7.713380 6.142866 2.470818 0.000000 9.958653 6.313514 7.295353 5.101539 3.758119 7.037825 5.411497 4.257291 6.144510 2.835329 4.660037 7.732365 7.244165 5.825648 2.408722 2.470666 8.622755 6.086734 1.408495 1.427289 0.000000 7.396537 5.207266 6.865138 6.269508 2.949117 2.439835 4.733902 3.889032 5.947278 4.787188 2.533370 5.482013 7.703124 7.462726 4.326259 6.211000 6.864103 1.424595 5.449334 7.021959 6.702751 0.000000 7.505442 5.970248 7.567388 7.314594 4.357046 2.832742 5.663153 5.072197 6.797380 6.108669 3.811999 5.911810 8.505614 8.473529 5.729437 7.524139 7.236575 2.449433 6.854362 8.397664 8.110006 1.408760 0.000000 5.158924 4.367144 6.097880 6.300272 4.855640 1.361980 4.308792 4.390673 5.424846 5.766603 3.681405 3.875558 7.313073 7.514605 5.976747 7.035462 5.028402 2.354337 7.335237 8.204009 8.333349 2.762510 2.422007 0.000000 6.484931 5.624677 7.231910 7.337206 5.164790 2.445960 5.496648 5.287025 6.579202 6.536080 4.273031 5.230106 8.335806 8.505574 6.451995 7.895644 6.427234 2.802058 7.709014 8.937529 8.857308 2.433402 1.413110 1.412676 0.000000 4.997872 2.131768 4.083641 3.035248 4.385724 4.116057 1.107405 2.145433 2.822712 2.715453 3.476217 3.205205 5.022830 4.422566 4.083994 2.895004 3.591959 4.337620 5.197082 4.290799 5.255925 5.727151 6.701092 5.344276 6.546954 0.000000 4.300388 2.082743 4.491352 4.009335 4.137157 2.566730 1.100270 2.148613 3.341468 3.401860 2.867974 2.492971 5.707056 5.447311 4.408467 4.173882 3.194583 3.137300 5.741660 5.536751 6.192953 4.518694 5.259300 3.672549 4.920480 1.789605 0.000000 2.463486 2.137956 2.578329 3.968680 6.032557 3.591500 3.450590 4.392137 2.632088 5.606303 4.773175 1.105940 3.998274 4.750768 6.481220 6.328126 2.166801 4.550741 7.790080 7.643660 8.282585 5.699060 6.012942 4.055314 5.295375 4.149138 3.489020 0.000000 2.715410 2.085351 3.859587 4.456333 5.295935 2.341566 2.621817 3.618788 3.275428 5.011029 3.904494 1.099506 5.286378 5.623986 5.862789 5.875972 2.196093 3.520721 7.253035 7.243014 7.835482 4.741393 5.041303 2.874972 4.268688 3.446295 2.153670 1.763526 0.000000 6.236069 4.248479 2.141369 3.054120 6.738063 6.542699 5.460174 5.681129 3.034899 6.015057 6.195394 4.820619 1.104504 2.226761 6.658463 6.269675 5.594439 6.675758 7.434158 7.068683 7.601410 7.629468 8.367083 7.363503 8.251832 5.794456 6.274873 4.277550 5.662695 0.000000 5.971715 4.420575 2.142587 3.222580 7.660632 7.324316 5.630328 6.182915 3.179446 6.445627 7.018771 4.956901 1.101667 2.224117 7.374274 6.374044 5.245743 7.618703 8.128752 7.213277 8.033657 8.756899 9.527784 8.205621 9.281465 5.658262 6.454132 4.602318 5.981291 1.794378 0.000000 6.943591 4.272125 3.047921 2.139318 6.529180 7.212818 4.902286 5.145974 3.040817 4.905737 6.182076 5.396403 2.226634 1.104112 5.859908 4.454241 5.796565 7.187568 6.359376 5.065231 5.982144 8.359582 9.408419 8.368802 9.421412 4.649368 5.935281 5.470963 6.289323 3.046445 2.397841 0.000000 7.429987 4.407687 3.216984 2.140714 5.697218 6.751013 5.042409 4.861207 3.163013 4.610572 5.548881 5.568266 2.224245 1.101689 5.182594 4.537531 6.387431 6.502137 5.632708 5.019111 5.535043 7.471729 8.531892 7.869361 8.721067 5.129569 6.083628 5.462950 6.305986 2.398184 2.917612 1.792499 0.000000 3.600965 2.730047 1.016873 3.205810 6.762707 5.298928 4.226093 5.083123 2.121150 5.903577 5.746768 2.635899 2.215089 3.361320 6.872872 6.273055 3.078943 5.942910 7.981865 7.451549 8.216925 7.117047 7.647968 5.974405 7.138263 4.585576 4.717553 2.078751 3.643770 2.657624 2.585511 3.965043 4.174815 0.000000 6.348924 2.750622 3.211327 1.024100 3.918628 5.004915 2.747572 2.524663 2.118744 2.288211 3.574192 4.214393 3.366574 2.220467 3.313561 2.339725 5.061459 4.745694 4.119724 3.345178 4.104651 5.923675 7.092462 6.297907 7.264701 2.746448 3.842290 4.593706 4.734377 3.945521 4.195728 2.693064 2.556688 4.146400 0.000000 8.636255 5.457247 6.915126 5.519678 1.017610 4.135782 4.697037 3.261610 5.809638 3.259214 2.158565 6.368386 7.363331 6.612393 2.141284 4.540912 7.709370 2.781620 2.893258 4.916194 4.256564 2.701768 4.066226 5.075584 5.103322 5.380086 4.982344 6.713324 5.976777 7.362048 8.430446 7.371264 6.380624 7.515774 4.833226 0.000000 7.218575 3.970335 5.111358 3.174008 4.483434 5.910288 3.128042 3.007342 3.915688 2.206931 4.299369 5.342267 5.422312 4.199595 3.473281 1.096911 5.772928 5.626703 3.983350 2.171965 3.459244 6.825207 8.060323 7.251946 8.258018 2.403054 4.003710 6.094010 5.692742 6.194944 6.002952 4.103498 4.611169 5.926457 2.399649 5.457219 0.000000 2.142853 2.892144 4.329738 4.955670 6.865160 4.558585 3.236746 4.719232 3.862989 5.802186 5.563980 2.194055 5.724343 6.000824 7.018503 6.144092 1.109707 5.600206 8.287528 7.539591 8.493575 6.931072 7.336005 5.135800 6.545794 3.268023 2.846671 3.084891 2.485738 6.463725 6.056626 6.263253 6.951260 4.073325 5.287716 7.720762 5.534562 0.000000 2.134445 2.732174 3.040132 4.213222 7.280591 5.329310 3.721863 5.128282 3.075079 6.055548 6.068940 2.200010 4.335625 4.886955 7.308489 6.247969 1.112059 6.256815 8.500224 7.586232 8.599493 7.605446 8.090660 5.984771 7.370077 3.708053 3.823973 2.614517 3.113363 5.127728 4.469428 5.092335 5.913841 2.670227 4.847104 8.162091 5.586733 1.801590 0.000000 10.445223 6.850934 7.965645 5.998587 2.894399 6.613502 5.976622 4.522751 6.835415 3.497798 4.227735 8.114811 8.008615 6.802432 2.195439 3.982555 9.269339 5.385228 1.094947 3.465704 2.182884 5.546079 6.912223 7.739045 7.923652 6.201353 6.576957 8.544928 7.994870 8.116376 8.959205 7.261561 6.360093 8.801969 5.075921 2.850650 5.077905 9.210617 9.450602 0.000000 9.671506 6.250700 7.035964 4.855324 5.263211 7.816446 5.423414 4.792660 5.960929 3.435132 5.715910 7.693881 6.926210 5.425543 3.891049 2.169601 8.235245 7.179862 3.450096 1.094852 2.180456 8.099648 9.467021 9.173115 9.963957 4.853196 6.285878 8.339386 8.008399 7.543228 7.476131 5.185022 5.396676 7.970475 3.969054 6.005447 2.494207 8.028654 7.993795 4.354316 0.000000 11.029122 7.378337 8.238171 6.025703 4.689363 8.094935 6.497134 5.350252 7.140325 3.929727 5.695210 8.809338 8.064423 6.594554 3.406767 3.451244 9.681919 7.094702 2.167988 2.182571 1.094623 7.611339 9.017082 9.373529 9.836908 6.297265 7.277899 9.340761 8.928140 8.390889 8.809660 6.669781 6.206675 9.185572 5.058395 5.047810 4.346461 9.548652 9.618091 2.509112 2.494660 0.000000 8.373320 5.880310 7.444710 6.593408 2.651835 3.435580 5.307047 4.208445 6.483652 4.801452 2.796675 6.346872 8.127045 7.729774 4.026248 6.203342 7.747789 2.205451 4.937033 6.812422 6.280519 1.094750 2.159819 3.857168 3.419825 6.221061 5.231835 6.568024 5.688829 8.012702 9.208461 8.613048 7.602024 7.806157 6.129775 2.052872 6.959423 7.800630 8.417428 4.842231 7.905021 7.092663 0.000000 0.989181 4.512248 5.077974 6.496289 8.718990 5.818068 5.325473 6.726668 5.212935 7.912130 7.354270 3.251471 6.451026 7.226733 9.043334 8.331792 2.037202 7.068779 10.357345 9.724756 10.643096 8.242329 8.321953 5.933517 7.253450 5.530630 4.921825 3.438685 3.560090 7.022356 6.570651 7.541736 8.189496 4.364940 7.078140 9.480546 7.738518 2.375689 2.503849 11.229709 10.216508 11.705553 9.228439 0.000000 8.530771 7.035700 8.550462 8.269641 5.020924 3.927033 6.718285 6.031808 7.810498 6.959862 4.704403 6.984120 9.422667 9.380740 6.412997 8.382764 8.313699 3.444748 7.410830 9.155752 8.732343 2.175645 1.094307 3.424599 2.184071 7.744358 6.331215 7.032637 6.117626 9.209202 10.460221 10.338182 9.357809 8.634322 8.019740 4.534520 8.989473 8.419534 9.169850 7.317923 10.239678 9.570628 2.485324 9.341992 0.000000 4.409514 4.448683 6.091280 6.607012 5.787911 2.089039 4.575421 4.985159 5.561917 6.419234 4.517985 3.609458 7.414361 7.780598 6.810365 7.587486 4.530800 3.327124 8.199839 8.839595 9.106412 3.858343 3.425077 1.096344 2.182876 5.539755 3.831276 3.754646 2.580793 7.517646 8.208559 8.589031 8.253818 5.801748 6.728838 6.096462 7.659202 4.654090 5.559864 8.681302 9.752341 10.171194 4.952945 5.115397 4.347545 0.000000 6.855660 6.495611 8.002967 8.297528 6.244308 3.423041 6.457660 6.348642 7.458761 7.620050 5.364924 5.918381 9.137293 9.424456 7.541929 8.969502 7.008648 3.894636 8.787619 10.026478 9.947259 3.436816 2.193036 2.180973 1.093315 7.496149 5.814208 5.897017 4.941707 9.012260 10.045402 10.350878 9.658436 7.801808 8.284716 6.134435 9.299288 7.145314 7.994947 8.970528 11.048423 10.921515 4.338455 7.565624 2.542898 2.521560 0.000000 0.2255743 0.2001116 0.1230448 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 285 285 285 285 285 MxSgAt= 47 MxSgA2= 47. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 18915 NPrTT= 96732 LenC2= 16463 LenP2D= 51152. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 294 RedAO= T EigKep= 5.87D-04 NBF= 294 NBsUse= 294 1.00D-06 EigRej= -1.00D+00 NBFU= 294 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 284 284 284 284 284 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 0 1 -1084.20783856935 -1084.22005827268 -0.012219703327 -1084.47258263919 -0.252524366505 -1084.52388351624 -0.051300877049 -1084.53865850133 -0.014774985090 -1084.54565952707 -0.007001025745 -1084.54577755050 -0.000118023424 -1084.54580516200 -0.000027611504 -1084.54593905632 -0.000133894315 -1084.54594678768 -0.000007731367 -1084.54594241694 0.000004370742 -1084.54594911219 -0.000006695245 -1084.54594924579 -0.000000133605 -1084.54594924845 -0.000000002660 -1084.54594924883 -0.000000000379 -1084.54594924886 -0.000000000034 -1084.54594924886 0.000000000000 -1084.54594925 17 1.080767006808e+03 -7.001866191141e+03 2.587087014574e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 281480 IEndB= 281480 NGot= 939524096 MDV= 939345987 LenX= 939345987 LenY= 939259110 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. Integral accuracy reduced to 1.0D-05 until final iterations. -1.75263873e+00 -1.30296871e+00 -1.49073834e+00 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 8 7 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.011268317 0.009292479 0.023018390 -0.010631362 -0.024739487 -0.037035053 0.040904628 0.009643910 0.028327044 -0.054242538 0.011876774 0.016052516 0.008828582 0.018757824 -0.015832808 -0.008059819 -0.005967447 -0.012728322 0.001810334 -0.001389413 -0.000404951 0.002022025 -0.010328058 0.012352770 0.002361707 0.019277475 0.028183955 0.004859484 -0.018686730 0.014680626 0.006977388 -0.000576058 0.007273219 0.007238552 0.000484078 -0.001064461 -0.016003138 -0.004427734 -0.012464133 0.017051245 -0.006346500 -0.006448998 0.018368731 0.013561262 -0.014074741 0.000052282 -0.008291457 0.003768191 0.003489855 -0.009424066 -0.000896117 0.010877724 -0.008430455 -0.002961417 0.002687516 0.004343050 -0.004142215 -0.005954468 -0.015818730 0.012837349 0.011219342 0.013027574 -0.012335035 -0.002273693 0.012905084 0.012389743 -0.009942377 0.017264772 0.011649276 -0.003753125 -0.014174359 -0.017596130 -0.012655649 0.007874443 -0.000014362 0.008150387 -0.003928685 0.004762540 -0.008361983 -0.001239770 0.004656145 -0.004811797 0.000906823 -0.007562040 0.002065012 0.003729073 0.002876353 -0.000518937 -0.000692963 -0.007402140 -0.001938583 -0.006563068 -0.004046263 0.002266752 -0.006790498 -0.003575607 0.002844162 -0.000674432 -0.006489224 0.001068806 -0.000266504 -0.001881665 0.004462754 0.004699912 -0.000051037 -0.001416966 0.005336105 -0.004988891 -0.001600017 -0.004567816 0.006004398 0.000460466 0.000938750 0.005755075 0.005239334 -0.011464887 -0.006074535 0.002864095 0.004960440 -0.004277964 0.003551502 -0.003385063 0.002437106 0.005109747 0.000807577 -0.001209282 0.005240093 0.000552468 0.003535163 -0.016068690 0.002807597 -0.008802339 -0.002379742 0.004836163 0.003291870 -0.004338774 -0.001795353 -0.006932598 -0.005852532 0.002085900 -0.002559399 0.054242538 0.011269599 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1084.59326988595 -1084.59329242511 -0.000022539160 -1084.59329239275 0.000000032352 -1084.59329258991 -0.000000197154 -1084.59329261287 -0.000000022960 -1084.59329261640 -0.000000003535 -1084.59329261666 -0.000000000253 -1084.59329261671 -0.000000000057 -1084.59329261676 -0.000000000044 -1084.59329262 9 1.079288286969e+03 -6.840924272226e+03 2.508063211503e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 281480 IEndB= 281480 NGot= 939524096 MDV= 939345987 LenX= 939345987 LenY= 939259110 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. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 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 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.865217 -14.173155 -14.166527 -14.159542 -14.153247 -14.105921 -10.162910 -10.074683 -10.072904 -10.062092 -10.060563 -10.058474 -10.058372 -10.048948 -10.047785 -10.039847 -10.025185 -10.023486 -10.019196 -10.016978 -10.015287 -10.009821 -10.008927 -10.002793 -10.002160 -1.080199 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0.105775 0.110445 0.118263 0.121331 0.129295 0.130646 0.135747 0.136223 0.138582 0.144508 0.150650 0.154975 0.161255 0.169888 0.170980 0.173744 0.179783 0.185406 0.189305 0.191071 0.196805 0.203191 0.207679 0.211338 0.220746 0.221210 0.230083 0.232176 0.238528 0.244850 0.248318 0.255322 0.257993 0.261591 0.268238 0.270985 0.275563 0.278943 0.284545 0.286365 0.295406 0.297709 0.300410 0.301282 0.308572 0.310886 0.316712 0.322001 0.330216 0.331456 0.336494 0.345234 0.350066 0.356049 0.365478 0.380933 0.383725 0.389377 0.403754 0.408896 0.430529 0.437649 0.450965 0.457959 0.473120 0.481157 0.482907 0.492356 0.502847 0.504458 0.517598 0.525194 0.532759 0.550732 0.558048 0.563915 0.573994 0.579229 0.592168 0.603502 0.609206 0.620025 0.644707 0.655716 0.670758 0.681105 0.719380 0.734897 0.741888 0.748618 0.756552 0.772696 0.784481 0.787995 0.796861 0.802887 0.811490 0.817000 0.827925 0.830708 0.840627 0.855905 0.860641 0.867601 0.878013 0.888539 0.896917 0.906670 0.923024 0.937237 0.949064 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AuxInfo=1/0/N:20,21,23,25,16,19,22,24,13,14,12,17,7,10,8,15,18,11,9,6,3,4,5,2,1/E:(9,10)(21,22)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,14.3,15.3,16.3,17.3,18.3,19.3,20.2/rA:47ONNNNN2CC3C3C3C3CCCC3C3CC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s7;s2s3s4;s8;s5s8;s2;s3;s4s13;s5s10;s10;s1s12;s6s11;s15;s16;s19s20;s18;s22;s6;s23s24;s7;s7;s12;s12;s13;s13;s14;s14;s3;s4;s5;s16;s17;s17;s19;s20;s21;s22;s1;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2026 CBGUSER 000053695 EM64L-G09RevD.01 22-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 135 C1[X(C19H22N5O)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 314.23619999999977 1 1 AuxInfo=1/0/N:20,21,23,25,16,19,22,24,13,14,12,17,7,10,8,15,18,11,9,6,3,4,5,2,1/E:(9,10)(21,22)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,14.3,15.3,16.3,17.3,18.3,19.3,20.2/rA:47ONNNNN2CC3C3C3C3CCCC3C3CC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s7;s2s3s4;s8;s5s8;s2;s3;s4s13;s5s10;s10;s1s12;s6s11;s15;s16;s19s20;s18;s22;s6;s23s24;s7;s7;s12;s12;s13;s13;s14;s14;s3;s4;s5;s16;s17;s17;s19;s20;s21;s22;s1;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-19381.inp" -scrdir="/scratch/" chk=000053695-Freq.chk nprocshared=4 mem=7GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000053695 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 16 14 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000146 0.000035 0.089352 0.021202 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -4.397732e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2168.9795679765 294 688 294 89 89 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F 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 0 314.23619999999977 AuxInfo=1/0/N:20,21,23,25,16,19,22,24,13,14,12,17,7,10,8,15,18,11,9,6,3,4,5,2,1/E:(9,10)(21,22)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,14.3,15.3,16.3,17.3,18.3,19.3,20.2/rA:47ONNNNN2CC3C3C3C3CCCC3C3CC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s7;s2s3s4;s8;s5s8;s2;s3;s4s13;s5s10;s10;s1s12;s6s11;s15;s16;s19s20;s18;s22;s6;s23s24;s7;s7;s12;s12;s13;s13;s14;s14;s3;s4;s5;s16;s17;s17;s19;s20;s21;s22;s1;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.716628 0.000000 4.312274 2.411193 0.000000 5.756192 2.417878 2.232829 0.000000 7.898407 4.586450 6.127892 4.641755 0.000000 4.999132 3.298256 5.232046 5.101500 3.724072 0.000000 4.648941 1.512335 3.793859 2.963320 3.754642 3.053253 0.000000 5.978736 2.564220 4.485592 3.118589 2.281511 3.029749 1.506822 0.000000 4.429340 1.350469 1.372381 1.363539 4.947744 4.357556 2.506011 3.153598 0.000000 7.204965 3.625580 5.126631 3.223220 2.277845 4.416683 2.616466 1.452516 3.808510 0.000000 6.536816 3.425056 5.242078 4.104371 1.406107 2.429132 2.631452 1.414374 4.050690 2.307105 0.000000 2.365114 1.484075 2.878226 3.752496 5.602443 3.210669 2.563619 3.724936 2.456420 4.971119 4.285656 0.000000 5.732416 3.665832 1.485388 2.384314 6.621051 6.394417 4.853349 5.258153 2.368337 5.561625 6.001150 4.344804 0.000000 6.519549 3.668165 2.377188 1.485384 5.820777 6.396957 4.426118 4.559992 2.362321 4.489599 5.435873 4.786981 1.564250 0.000000 8.275429 4.712047 6.096843 4.227730 1.394726 4.723026 3.783700 2.330413 4.860663 1.439046 2.300626 5.967299 6.408548 5.332791 0.000000 7.721792 4.222630 5.415016 3.313199 3.618387 5.675825 3.296786 2.648914 4.168423 1.426706 3.719200 5.645398 5.655264 4.362151 2.465885 0.000000 1.463588 2.527926 3.493319 4.546301 6.880336 4.492386 3.379104 4.797286 3.303081 5.917691 5.571840 1.542404 4.928485 5.440483 7.087162 6.323523 0.000000 6.229447 3.830914 5.666025 5.058310 2.503897 1.377644 3.320070 2.627049 4.660672 3.758223 1.471845 4.196307 6.600222 6.346044 3.690112 5.148551 5.554530 0.000000 9.604550 5.975521 7.127187 5.086701 2.546826 6.111682 5.068931 3.683950 5.950759 2.501184 3.683238 7.298498 7.211964 5.960399 1.411471 2.887695 8.370174 5.010568 0.000000 9.113861 5.571303 6.531055 4.323962 4.169627 6.854540 4.685490 3.857762 5.373205 2.439630 4.673732 7.016156 6.529940 5.083009 2.796639 1.407915 7.713379 6.142865 2.470819 0.000000 9.958653 6.313514 7.295353 5.101539 3.758119 7.037826 5.411497 4.257290 6.144509 2.835328 4.660037 7.732364 7.244164 5.825648 2.408721 2.470666 8.622754 6.086733 1.408496 1.427289 0.000000 7.396538 5.207267 6.865138 6.269508 2.949117 2.439835 4.733902 3.889032 5.947279 4.787188 2.533370 5.482014 7.703124 7.462726 4.326259 6.211001 6.864103 1.424595 5.449334 7.021959 6.702751 0.000000 7.505443 5.970248 7.567388 7.314594 4.357046 2.832741 5.663153 5.072196 6.797379 6.108669 3.811998 5.911811 8.505613 8.473528 5.729437 7.524139 7.236575 2.449433 6.854362 8.397664 8.110006 1.408760 0.000000 5.158924 4.367144 6.097880 6.300272 4.855640 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5.145974 3.040817 4.905737 6.182076 5.396402 2.226633 1.104113 5.859908 4.454240 5.796564 7.187568 6.359376 5.065230 5.982144 8.359582 9.408418 8.368802 9.421412 4.649368 5.935281 5.470963 6.289322 3.046445 2.397842 0.000000 7.429987 4.407687 3.216984 2.140715 5.697217 6.751013 5.042409 4.861207 3.163013 4.610572 5.548881 5.568265 2.224245 1.101689 5.182593 4.537530 6.387431 6.502137 5.632708 5.019110 5.535042 7.471729 8.531892 7.869361 8.721067 5.129570 6.083628 5.462951 6.305986 2.398184 2.917613 1.792500 0.000000 3.600965 2.730048 1.016872 3.205809 6.762707 5.298928 4.226093 5.083123 2.121150 5.903577 5.746769 2.635900 2.215088 3.361319 6.872872 6.273055 3.078943 5.942910 7.981865 7.451548 8.216924 7.117048 7.647968 5.974405 7.138263 4.585576 4.717553 2.078751 3.643770 2.657623 2.585510 3.965043 4.174815 0.000000 6.348924 2.750622 3.211327 1.024100 3.918628 5.004916 2.747572 2.524663 2.118744 2.288211 3.574192 4.214392 3.366573 2.220467 3.313561 2.339726 5.061459 4.745694 4.119724 3.345178 4.104651 5.923675 7.092461 6.297907 7.264701 2.746449 3.842290 4.593707 4.734377 3.945520 4.195727 2.693064 2.556687 4.146400 0.000000 8.636256 5.457247 6.915126 5.519678 1.017611 4.135782 4.697038 3.261610 5.809638 3.259214 2.158566 6.368386 7.363331 6.612394 2.141284 4.540913 7.709370 2.781621 2.893258 4.916194 4.256564 2.701768 4.066226 5.075585 5.103323 5.380087 4.982345 6.713325 5.976778 7.362048 8.430446 7.371264 6.380623 7.515774 4.833226 0.000000 7.218575 3.970335 5.111359 3.174008 4.483433 5.910289 3.128043 3.007342 3.915688 2.206932 4.299369 5.342267 5.422311 4.199595 3.473281 1.096910 5.772928 5.626703 3.983350 2.171964 3.459244 6.825208 8.060323 7.251947 8.258018 2.403054 4.003710 6.094011 5.692742 6.194944 6.002952 4.103498 4.611169 5.926457 2.399649 5.457220 0.000000 2.142853 2.892144 4.329737 4.955669 6.865160 4.558586 3.236746 4.719233 3.862989 5.802186 5.563980 2.194055 5.724343 6.000823 7.018503 6.144092 1.109707 5.600207 8.287528 7.539590 8.493575 6.931073 7.336005 5.135801 6.545794 3.268022 2.846671 3.084890 2.485738 6.463724 6.056625 6.263252 6.951260 4.073325 5.287716 7.720763 5.534562 0.000000 2.134444 2.732174 3.040132 4.213221 7.280591 5.329311 3.721863 5.128283 3.075079 6.055548 6.068940 2.200010 4.335625 4.886955 7.308488 6.247968 1.112059 6.256816 8.500223 7.586231 8.599493 7.605447 8.090660 5.984772 7.370078 3.708052 3.823973 2.614517 3.113363 5.127728 4.469428 5.092334 5.913841 2.670228 4.847104 8.162091 5.586733 1.801589 0.000000 10.445223 6.850934 7.965645 5.998587 2.894400 6.613502 5.976622 4.522751 6.835414 3.497798 4.227736 8.114811 8.008614 6.802432 2.195439 3.982555 9.269339 5.385228 1.094947 3.465704 2.182883 5.546080 6.912223 7.739045 7.923653 6.201353 6.576958 8.544929 7.994870 8.116376 8.959205 7.261560 6.360092 8.801968 5.075921 2.850650 5.077905 9.210617 9.450602 0.000000 9.671505 6.250700 7.035963 4.855324 5.263210 7.816446 5.423414 4.792660 5.960928 3.435132 5.715910 7.693880 6.926209 5.425543 3.891048 2.169601 8.235244 7.179862 3.450096 1.094852 2.180455 8.099648 9.467020 9.173115 9.963956 4.853196 6.285878 8.339386 8.008399 7.543227 7.476131 5.185021 5.396675 7.970475 3.969053 6.005447 2.494206 8.028654 7.993794 4.354315 0.000000 11.029121 7.378337 8.238170 6.025703 4.689362 8.094935 6.497134 5.350251 7.140324 3.929727 5.695210 8.809337 8.064422 6.594554 3.406767 3.451244 9.681918 7.094701 2.167988 2.182571 1.094623 7.611339 9.017081 9.373529 9.836908 6.297265 7.277899 9.340761 8.928139 8.390888 8.809660 6.669780 6.206674 9.185571 5.058395 5.047810 4.346461 9.548652 9.618090 2.509111 2.494660 0.000000 8.373320 5.880311 7.444710 6.593408 2.651835 3.435580 5.307046 4.208445 6.483652 4.801452 2.796674 6.346872 8.127045 7.729774 4.026248 6.203343 7.747789 2.205451 4.937033 6.812421 6.280519 1.094750 2.159818 3.857168 3.419826 6.221062 5.231835 6.568025 5.688829 8.012702 9.208461 8.613048 7.602024 7.806157 6.129776 2.052873 6.959423 7.800630 8.417428 4.842231 7.905021 7.092662 0.000000 0.989181 4.512248 5.077973 6.496288 8.718989 5.818068 5.325473 6.726668 5.212934 7.912130 7.354271 3.251471 6.451025 7.226732 9.043334 8.331792 2.037202 7.068780 10.357345 9.724755 10.643095 8.242330 8.321954 5.933517 7.253451 5.530629 4.921825 3.438684 3.560090 7.022355 6.570650 7.541735 8.189496 4.364941 7.078139 9.480546 7.738519 2.375690 2.503849 11.229709 10.216508 11.705553 9.228440 0.000000 8.530771 7.035700 8.550461 8.269641 5.020924 3.927033 6.718284 6.031806 7.810498 6.959862 4.704402 6.984120 9.422666 9.380739 6.412997 8.382764 8.313698 3.444747 7.410829 9.155751 8.732342 2.175644 1.094307 3.424599 2.184071 7.744357 6.331215 7.032636 6.117626 9.209201 10.460220 10.338182 9.357808 8.634322 8.019740 4.534519 8.989472 8.419534 9.169849 7.317922 10.239678 9.570627 2.485323 9.341992 0.000000 4.409515 4.448684 6.091280 6.607011 5.787911 2.089039 4.575421 4.985158 5.561917 6.419233 4.517985 3.609459 7.414360 7.780598 6.810365 7.587486 4.530800 3.327123 8.199839 8.839594 9.106411 3.858343 3.425077 1.096343 2.182875 5.539755 3.831275 3.754646 2.580794 7.517645 8.208559 8.589031 8.253818 5.801748 6.728838 6.096462 7.659202 4.654091 5.559864 8.681302 9.752340 10.171193 4.952945 5.115398 4.347544 0.000000 6.855661 6.495611 8.002967 8.297528 6.244308 3.423040 6.457659 6.348642 7.458761 7.620050 5.364924 5.918381 9.137292 9.424456 7.541929 8.969503 7.008648 3.894636 8.787619 10.026478 9.947259 3.436816 2.193036 2.180973 1.093315 7.496149 5.814208 5.897016 4.941707 9.012260 10.045402 10.350877 9.658436 7.801808 8.284717 6.134436 9.299288 7.145314 7.994947 8.970528 11.048423 10.921515 4.338455 7.565624 2.542898 2.521559 0.000000 C19H22N5O(1+) C1 1 C1 1 C1 1 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 0 314.23619999999977 AuxInfo=1/0/N:20,21,23,25,16,19,22,24,13,14,12,17,7,10,8,15,18,11,9,6,3,4,5,2,1/E:(9,10)(21,22)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,14.3,15.3,16.3,17.3,18.3,19.3,20.2/rA:47ONNNNN2CC3C3C3C3CCCC3C3CC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s7;s2s3s4;s8;s5s8;s2;s3;s4s13;s5s10;s10;s1s12;s6s11;s15;s16;s19s20;s18;s22;s6;s23s24;s7;s7;s12;s12;s13;s13;s14;s14;s3;s4;s5;s16;s17;s17;s19;s20;s21;s22;s1;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2255743 0.2001116 0.1230448 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. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 18915 NPrTT= 96732 LenC2= 16463 LenP2D= 51152. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 294 RedAO= T EigKep= 5.87D-04 NBF= 294 NBsUse= 294 1.00D-06 EigRej= -1.00D+00 NBFU= 294 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 285 285 285 285 285 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 0 1 -1084.29578637421 -1084.34391137852 -0.048125004311 -1084.52719855938 -0.183287180851 -1084.54122238365 -0.014023824277 -1084.59002203176 -0.048799648109 -1084.59291402764 -0.002891995879 -1084.59306482012 -0.000150792481 -1084.59311628887 -0.000051468751 -1084.59312237533 -0.000006086461 -1084.59324598019 -0.000123604854 -1084.59325394190 -0.000007961716 -1084.59324895040 0.000004991502 -1084.59325489290 -0.000005942494 -1084.59325505333 -0.000000160438 -1084.59325505455 -0.000000001219 -1084.59325505460 -0.000000000049 -1084.59325505459 0.000000000010 -1084.59325505464 -0.000000000050 -1084.59325505 18 1.079288422099e+03 -6.840924725844e+03 2.508063480714e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 281968 IEndB= 281968 NGot= 939524096 MDV= 939345499 LenX= 939345499 LenY= 939258622 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. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 47. Will process 48 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 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. MDV= 939523328 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 760000000 NMat= 144 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 144 NMatS0= 144 NMatT0= 0 NMatD0= 144 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 1.82D-14 1.00D-09 XBig12= 8.41D+02 1.68D+01. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 1.82D-14 1.00D-09 XBig12= 1.23D+02 1.80D+00. 141 vectors produced by pass 2 Test12= 1.82D-14 1.00D-09 XBig12= 6.20D-01 7.31D-02. 141 vectors produced by pass 3 Test12= 1.82D-14 1.00D-09 XBig12= 2.34D-04 9.50D-04. 93 vectors produced by pass 4 Test12= 1.82D-14 1.00D-09 XBig12= 3.79D-08 2.47D-05. 6 vectors produced by pass 5 Test12= 1.82D-14 1.00D-09 XBig12= 4.05D-12 1.61D-07. 2 vectors produced by pass 6 Test12= 1.82D-14 1.00D-09 XBig12= 2.52D-15 3.26D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 665 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 256.73 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 340.826 52.187 272.847 3.634 29.986 156.508 648.987 119.894 508.666 5.113 102.805 283.768 (Enter /mnt/data/applications/G09/g09/l716.exe) PT8578.400S 2017-05-22T05:21:11.000+02:00 -18.86522 -14.17315 -14.16653 -14.15954 -14.15325 -14.10592 -10.16291 -10.07469 -10.07291 -10.06208 -10.06056 -10.05847 -10.05837 -10.04894 -10.04778 -10.03985 -10.02518 -10.02348 -10.01920 -10.01698 -10.01528 -10.00982 -10.00893 -10.00279 -10.00216 -1.08020 -1.03335 -1.01312 -0.99393 -0.97086 -0.95153 -0.87290 -0.84658 -0.83372 -0.83225 -0.81479 -0.79764 -0.77366 -0.76709 -0.75130 -0.71921 -0.71166 -0.69314 -0.69019 -0.67923 -0.66115 -0.63974 -0.63406 -0.60595 -0.59706 -0.59262 -0.57871 -0.57121 -0.56857 -0.55808 -0.55000 -0.54021 -0.53513 -0.53122 -0.52500 -0.51390 -0.51130 -0.50289 -0.49851 -0.49105 -0.48868 -0.48435 -0.48239 -0.47496 -0.47232 -0.46421 -0.45891 -0.45615 -0.45242 -0.43391 -0.42944 -0.41621 -0.40587 -0.40230 -0.38951 -0.36664 -0.35918 -0.34917 -0.34112 -0.33759 -0.32575 -0.31517 -0.30414 -0.29005 -0.18595 -0.16100 -0.14176 -0.13295 -0.11689 -0.09393 -0.07802 -0.07157 -0.05737 -0.04615 -0.03770 -0.02439 -0.02358 -0.01996 -0.01314 -0.00492 -0.00274 0.00229 0.00526 0.00966 0.01571 0.01593 0.02412 0.02701 0.03081 0.03588 0.03855 0.04284 0.04938 0.05309 0.05785 0.06394 0.07263 0.07397 0.07964 0.08547 0.09145 0.09419 0.09586 0.10579 0.11047 0.11826 0.12134 0.12930 0.13064 0.13576 0.13623 0.13861 0.14451 0.15064 0.15496 0.16124 0.16990 0.17099 0.17377 0.17976 0.18540 0.18931 0.19109 0.19680 0.20318 0.20768 0.21133 0.22073 0.22121 0.23008 0.23220 0.23855 0.24487 0.24832 0.25533 0.25800 0.26161 0.26824 0.27102 0.27556 0.27894 0.28455 0.28637 0.29540 0.29774 0.30040 0.30126 0.30858 0.31091 0.31671 0.32202 0.33022 0.33148 0.33651 0.34525 0.35006 0.35604 0.36549 0.38095 0.38372 0.38939 0.40374 0.40891 0.43049 0.43764 0.45095 0.45796 0.47311 0.48116 0.48290 0.49237 0.50286 0.50446 0.51760 0.52515 0.53273 0.55073 0.55801 0.56392 0.57398 0.57926 0.59217 0.60352 0.60922 0.62002 0.64468 0.65570 0.67076 0.68110 0.71937 0.73489 0.74188 0.74864 0.75653 0.77268 0.78449 0.78798 0.79686 0.80289 0.81149 0.81699 0.82792 0.83071 0.84061 0.85591 0.86063 0.86759 0.87803 0.88853 0.89692 0.90668 0.92303 0.93721 0.94906 0.95253 0.96792 0.99483 1.00201 1.02397 1.03839 1.04431 1.05083 1.05500 1.06715 1.08538 1.09833 1.10290 1.12874 1.13980 1.18059 1.19609 1.21204 1.21646 1.23968 1.25614 1.30701 1.32595 1.35706 1.37842 1.38721 1.43435 1.44296 1.46154 1.54475 22.19900 22.25461 22.32969 22.36215 22.38547 22.39753 22.42110 22.46316 22.47106 22.48103 22.49641 22.51837 22.53747 22.55587 22.58339 22.60149 22.64224 22.66455 22.71193 31.32238 31.40558 31.41266 31.41672 31.46062 41.37240 1-A. Mulliken charges: 1 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 O N N N N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.444239 -0.104509 -0.452882 -0.431397 -0.488768 -0.100471 -0.576252 0.265343 0.512844 0.100708 0.207532 -0.410535 -0.365126 -0.370041 0.215197 -0.445299 -0.303983 0.030671 -0.351714 -0.245045 -0.210598 -0.250811 -0.203889 -0.341899 -0.166294 0.261484 0.265580 0.225445 0.310071 0.265001 0.263079 0.263654 0.263177 0.360183 0.381774 0.327609 0.256861 0.216401 0.197892 0.251204 0.242668 0.245758 0.206613 0.369401 0.258121 0.246330 0.253151 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 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 O N N N N N C C C C C C C C C C C C C C C C C C C -0.074837 -0.104509 -0.092699 -0.049623 -0.161160 -0.100471 -0.049188 0.265343 0.512844 0.100708 0.207532 0.124981 0.162955 0.156790 0.215197 -0.188438 0.110310 0.030671 -0.100511 -0.002377 0.035160 -0.044198 0.054232 -0.095569 0.086857 1.00000 3.86053070e-01 -1.53437382e+00 9.60244304e-01 3.40825615e+02 5.21865713e+01 2.72847117e+02 3.63449261e+00 2.99855952e+01 1.56508138e+02 -6.1882 -5.4862 -0.0008 0.0003 0.0005 6.1109 18.0121 24.6838 28.4098 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 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 17.7172 24.5723 28.3850 52.5089 57.3835 71.1754 75.5428 91.6725 106.4004 111.4352 135.2829 143.7036 172.5685 193.0580 209.3439 256.2740 284.7331 287.3836 293.6823 309.5462 325.0577 355.2572 376.3761 384.8284 400.6151 413.1053 434.1225 503.9000 540.5673 550.0083 556.7487 558.3968 569.9374 576.8612 611.6407 621.1167 639.1143 681.3384 685.0988 696.5263 715.1145 738.9163 753.7013 763.3340 780.9180 796.3893 802.3019 823.4314 862.1117 868.7479 873.7381 885.0610 887.8166 932.2311 945.7163 955.9655 963.3690 966.2110 978.9002 986.1946 1002.7825 1004.8315 1009.0057 1015.0200 1024.6343 1042.2636 1061.9497 1084.7975 1096.7107 1109.5416 1123.1438 1138.2192 1152.4995 1175.0724 1179.6841 1193.8603 1200.7853 1212.4543 1218.8433 1224.0549 1241.6169 1265.6240 1269.7885 1277.4786 1287.7644 1308.7183 1310.0362 1314.8307 1324.7646 1331.5476 1347.7935 1358.7376 1380.8057 1408.2019 1412.0287 1412.6370 1424.3825 1427.3223 1451.2360 1458.4022 1467.5396 1485.7997 1487.7857 1490.8231 1508.3989 1515.5620 1538.8871 1542.0837 1572.0316 1581.4791 1586.8245 1627.8351 1676.1561 2940.0173 2996.6383 2999.2641 3015.6631 3020.1254 3022.9840 3079.3102 3095.1844 3097.5163 3111.3221 3120.8107 3130.5360 3140.6198 3144.0355 3155.6211 3163.3923 3174.6826 3183.6883 3474.8614 3590.0287 3608.8814 3623.8248 4.7440 4.6732 6.1408 4.4736 4.7717 5.0312 2.0440 2.3369 3.5720 4.4757 4.5299 4.7235 5.0791 4.7763 3.9619 2.4380 1.1150 4.1794 5.8441 4.0662 5.0234 4.4697 2.1274 3.0866 3.3067 1.5777 3.0720 3.5018 3.6513 1.2451 2.2227 1.5670 3.4215 6.4644 4.5344 6.8587 5.1196 8.4896 5.8270 5.0507 3.4858 1.6763 3.4417 1.5042 3.9604 3.7316 3.2812 1.1603 1.3948 1.3198 4.6660 1.3816 4.6378 3.6300 1.3710 3.1440 1.4379 4.6480 3.3761 1.3127 1.3588 4.4143 2.7582 2.1803 2.8101 3.0290 2.7627 2.3719 1.8435 1.7359 1.7708 1.6613 2.3918 1.1629 1.1388 2.3077 1.1566 1.2782 1.1360 1.2622 2.1523 1.6374 1.1777 1.4604 1.4003 1.5128 1.4645 5.6807 1.3132 3.0137 1.4381 1.5370 1.3717 1.8339 2.0232 2.2747 1.5483 2.3833 1.7957 1.6876 2.8971 2.7498 1.2634 1.1149 1.0886 1.0914 6.0545 3.2352 6.1077 5.8592 5.4093 6.7996 5.1933 1.0587 1.0821 1.0871 1.0610 1.0656 1.0683 1.1029 1.0959 1.1067 1.0974 1.0886 1.0907 1.0891 1.0884 1.0940 1.0936 1.0997 1.1010 1.0836 1.0671 1.0802 1.0809 0.0009 0.0017 0.0029 0.0073 0.0093 0.0150 0.0069 0.0116 0.0238 0.0327 0.0488 0.0575 0.0891 0.1049 0.1023 0.0943 0.0533 0.2034 0.2970 0.2296 0.3127 0.3324 0.1776 0.2693 0.3127 0.1586 0.3411 0.5239 0.6286 0.2219 0.4059 0.2879 0.6548 1.2674 0.9995 1.5590 1.2321 2.3220 1.6114 1.4437 1.0503 0.5392 1.1519 0.5164 1.4230 1.3944 1.2444 0.4635 0.6108 0.5869 2.0987 0.6376 2.1538 1.8587 0.7224 1.6929 0.7863 2.5566 1.9061 0.7522 0.8050 2.6260 1.6545 1.3235 1.7382 1.9387 1.8357 1.6446 1.3064 1.2591 1.3161 1.2681 1.8718 0.9461 0.9337 1.9379 0.9826 1.1071 0.9943 1.1142 1.9549 1.5453 1.1187 1.4042 1.3682 1.5266 1.4808 5.7862 1.3578 3.1483 1.5391 1.6718 1.5409 2.1427 2.3767 2.6744 1.8508 2.8607 2.2282 2.1148 3.6761 3.5766 1.6477 1.4600 1.4594 1.4771 8.4477 4.5328 8.8930 8.6341 8.0251 10.6158 8.5966 5.3917 5.7250 5.7617 5.6849 5.7267 5.7520 6.1617 6.1858 6.2562 6.2593 6.2467 6.2976 6.3292 6.3386 6.4186 6.4476 6.5301 6.5750 7.7091 8.1030 8.2887 8.3628 1.5257 0.4345 2.7618 0.8305 1.4686 0.4012 0.2137 9.2008 2.3693 0.7781 6.0061 0.9237 0.6809 3.0398 9.0486 2.8511 144.6482 1.3328 5.4986 7.2748 6.0545 5.3879 38.6366 2.0562 2.3133 49.2707 9.3632 9.5074 25.8790 55.7406 33.6621 92.9766 9.8408 7.1081 2.6105 2.4460 4.7138 9.8472 4.3222 1.5226 5.7577 43.2692 13.5621 97.4045 33.2360 9.7844 20.0345 5.0372 3.4119 3.5214 9.0577 0.6562 32.0124 19.3625 6.0071 25.5141 0.3393 4.4557 73.8448 0.4841 0.0273 7.5778 12.2475 2.8837 6.2309 3.5485 3.9943 15.4751 12.0044 4.0795 2.3771 12.4122 46.6703 0.8645 1.9058 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