Gaussian 09 GINC-KIMIK2035 CBGUSER 000247943 EM64L-G09RevD.01 28-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 300.2228999999998 0 1 AuxInfo=1/0/N:20,15,18,12,14,16,23,21,22,9,19,17,24,6,5,8,10,13,7,11,4,3,2,1/CRV:5.3,6.3,7.3,8.3,9.3,12.3,13.3,22.1/rA:50OOO1CCCCCCCCCCC3CC3C3CCCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s4;s4;s2s7s9;s7;s6;s1s8;s5;s4;s8s14;s11;s12s17;s1s13;s11;s11;s17;s21;s3s22s23;s5;s6;s7;s8;s9;s9;s10;s12;s12;s13;s14;s15;s15;s15;s16;s18;s18;s19;s19;s20;s20;s20;s21;s2;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-29010.inp" -scrdir="/scratch/" chk=000247943.chk nprocshared=4 mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=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=-1,11=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=-1,11=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 000247943 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 16 16 16 12 12 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 1 1 1 1 15.9949146 15.9949146 15.9949146 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 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 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 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 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 (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 R51 R52 R53 R54 1 1 2 2 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 11 11 11 12 12 12 13 13 14 14 15 15 15 16 17 17 18 18 19 19 20 20 20 21 21 22 22 23 23 13 19 10 48 24 5 8 9 15 6 14 25 7 12 26 10 11 27 13 16 28 10 29 30 31 17 20 21 18 32 33 19 34 16 35 36 37 38 39 18 22 40 41 42 43 44 45 46 23 47 24 49 24 50 1.4657 1.4627 1.4318 0.9893 1.2149 1.5724 1.5774 1.5301 1.5352 1.5295 1.5108 1.1278 1.5571 1.5397 1.1152 1.5568 1.5636 1.1247 1.5098 1.5248 1.1176 1.5443 1.1054 1.1124 1.1203 1.5311 1.5395 1.5188 1.5335 1.1067 1.1081 1.5054 1.096 1.3435 1.0745 1.1004 1.096 1.0993 1.0749 1.5033 1.3408 1.1107 1.1094 1.0874 1.0869 1.0967 1.0942 1.1014 1.3345 1.0956 1.4799 1.0905 1.4871 1.0906 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 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 10 5 5 5 8 8 9 4 4 4 6 6 14 5 5 5 7 7 12 6 6 6 10 10 11 4 4 4 13 13 16 4 4 4 10 10 29 2 2 2 7 7 9 7 7 7 17 17 20 6 6 6 18 18 32 1 1 8 8 19 5 5 16 4 4 4 36 36 37 8 8 14 11 11 18 12 12 12 17 17 40 1 1 13 13 42 11 11 11 44 44 45 11 11 23 17 17 24 21 21 24 3 3 22 2 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 48 8 9 15 9 15 15 6 14 25 14 25 25 7 12 26 12 26 26 10 11 27 11 27 27 13 16 28 16 28 28 10 29 30 29 30 30 7 9 31 9 31 31 17 20 21 20 21 21 18 32 33 32 33 33 8 34 19 34 34 16 35 35 36 37 38 37 38 38 14 39 39 18 22 22 17 40 41 40 41 41 42 43 42 43 43 44 45 46 45 46 46 23 47 47 24 49 49 24 50 50 22 23 23 110.7225 99.9016 107.2461 113.0752 116.3509 109.1549 110.7608 110.7988 102.3261 108.0531 123.1955 106.7087 104.9222 106.8032 110.9385 110.4802 110.4191 109.5515 108.6383 114.8273 110.2821 106.7142 113.7306 104.6584 105.801 114.9049 101.5368 108.7429 112.6428 109.521 109.137 112.5383 110.7131 109.9981 109.6072 108.8585 104.8264 112.4538 109.736 100.7223 115.3953 108.635 108.8263 106.6199 113.9756 109.3165 108.2366 112.2216 106.575 111.808 109.7216 110.2589 109.6336 109.4562 105.7835 115.5903 112.9413 121.0912 115.8386 118.92 109.6792 121.9928 128.2678 112.1664 111.619 110.7922 106.9517 107.1473 107.9264 111.4248 120.5019 128.0724 115.4372 122.8483 121.7115 110.7351 110.477 109.6338 109.4519 111.2589 105.1494 114.2398 114.2191 120.7617 121.2192 114.3035 111.0582 112.0966 110.7843 107.9603 107.2164 107.5172 124.0936 114.2278 121.6511 122.9413 122.7118 114.3456 122.1144 122.9434 114.9396 122.297 121.9504 115.7521 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 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 48 48 48 8 8 8 9 9 9 15 15 15 5 5 5 9 9 9 15 15 15 5 5 5 8 8 8 15 15 15 5 5 5 8 8 8 9 9 9 4 4 4 14 14 14 25 25 25 4 4 6 6 25 25 5 5 5 12 12 12 26 26 26 5 5 5 7 7 7 26 26 26 6 6 6 11 11 11 27 27 27 6 6 6 10 10 10 27 27 27 4 4 4 16 16 16 28 28 28 4 4 13 13 28 28 4 4 4 29 29 29 30 30 30 7 7 20 20 21 21 7 7 7 17 17 17 21 21 21 7 7 17 17 20 20 6 6 6 32 32 32 33 33 33 8 8 34 34 5 5 35 35 11 11 11 22 22 22 11 11 18 18 11 11 47 47 17 17 49 49 21 21 50 50 2 2 2 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 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 17 17 17 17 17 17 17 17 17 17 21 21 21 21 22 22 22 22 23 23 23 23 10 10 10 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 15 15 15 15 15 15 15 15 15 6 6 6 6 6 6 6 6 6 14 14 14 14 14 14 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 12 12 12 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 10 10 10 10 10 10 10 10 10 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 18 18 18 18 18 18 18 18 18 19 19 19 19 16 16 16 16 18 18 18 18 18 18 22 22 22 22 23 23 23 23 24 24 24 24 24 24 24 24 7 9 31 6 14 25 6 14 25 6 14 25 13 16 28 13 16 28 13 16 28 10 29 30 10 29 30 10 29 30 36 37 38 36 37 38 36 37 38 7 12 26 7 12 26 7 12 26 16 35 16 35 16 35 10 11 27 10 11 27 10 11 27 18 32 33 18 32 33 18 32 33 2 9 31 2 9 31 2 9 31 17 20 21 17 20 21 17 20 21 1 19 34 1 19 34 1 19 34 14 39 14 39 14 39 2 7 31 2 7 31 2 7 31 18 22 18 22 18 22 44 45 46 44 45 46 44 45 46 23 47 23 47 23 47 17 40 41 17 40 41 17 40 41 42 43 42 43 8 39 8 39 12 40 41 12 40 41 24 49 24 49 24 50 24 50 3 23 3 23 3 22 3 22 72.1486 -57.7377 -172.3744 170.1374 37.0995 -73.2933 -68.1285 158.8336 48.4408 54.2618 -78.7761 170.8311 -156.4485 -34.5795 80.4185 88.5703 -149.5607 -34.5627 -37.6443 84.2247 -160.7773 54.7749 -68.2736 176.3386 165.5498 42.5013 -72.8865 -69.0439 167.9076 52.5198 -64.0 56.0078 176.3149 -174.2336 -54.2257 66.0813 56.4067 176.4146 -63.2784 64.2589 -175.3592 -54.816 -174.3143 -53.9325 66.6107 -53.1369 67.245 -172.2118 -26.7696 155.8327 -152.0314 30.5708 85.9681 -91.4296 -49.9778 179.9539 65.4929 -170.6918 59.2399 -55.2212 69.6982 -60.3701 -174.8312 -173.2784 64.8584 -51.2658 -55.0672 -176.9304 66.9454 65.0929 -56.7703 -172.8945 -85.8554 41.0621 163.5465 42.5045 169.422 -68.0936 157.4933 -75.5892 46.8952 -58.3187 61.033 -179.8421 171.0309 -69.6174 49.5075 56.72 176.0717 -64.8034 -60.5772 -128.3244 74.829 -176.2092 116.0436 -40.803 62.1389 -5.6082 -162.4549 20.6617 -159.0338 144.0862 -35.6093 -94.0443 86.2602 84.8203 -43.4589 -165.8412 -151.5143 80.2064 -42.1759 -37.3895 -165.6687 71.949 57.937 -121.4465 -65.0767 115.5398 177.5967 -1.7868 -172.6319 -51.7723 68.3309 -54.1999 66.6597 -173.2372 66.6988 -172.4416 -52.3385 119.7189 -62.1663 1.6458 179.7607 -116.668 61.4469 51.8143 -69.6163 174.9539 173.7281 52.2975 -63.1323 -70.6579 167.9115 52.4818 -155.3459 1.6986 0.8067 157.8511 3.78 -176.5533 -179.0312 0.6355 -55.2406 66.7923 -177.4352 124.1506 -113.8165 1.956 0.7043 -179.7337 -178.6413 0.9207 -0.4038 178.99 -178.3842 1.0095 -179.5543 0.6781 0.8502 -178.9173 179.395 -0.8365 -0.0438 179.7246 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|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-06 300 300 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 50 50 50 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= 19306 NPrTT= 97602 LenC2= 17094 LenP2D= 54547. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 292 RedAO= T EigKep= 5.07D-04 NBF= 292 NBsUse= 292 1.00D-06 EigRej= -1.00D+00 NBFU= 292 Using GEDIIS/GDIIS optimizer. local minimum Step number 32 out of a maximum of 300 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00184 0.00228 0.00287 0.00418 0.00489 0.00611 0.00715 0.00749 0.00793 0.01099 0.01202 0.01236 0.01433 0.01592 0.01664 0.01722 0.01790 0.01999 0.02133 0.02154 0.02219 0.02540 0.03006 0.03133 0.03471 0.03515 0.03889 0.04040 0.04188 0.04270 0.04330 0.04341 0.04511 0.04603 0.04702 0.04769 0.04987 0.05066 0.05210 0.05307 0.05476 0.05534 0.05648 0.05656 0.05692 0.05800 0.06004 0.06383 0.06493 0.06742 0.07125 0.07861 0.08212 0.08292 0.08449 0.08841 0.09078 0.09155 0.11010 0.11073 0.11693 0.13177 0.13418 0.14217 0.14576 0.15061 0.15393 0.15490 0.15856 0.15925 0.15951 0.15981 0.15996 0.16002 0.16016 0.16026 0.16087 0.16134 0.16159 0.16331 0.16868 0.17384 0.17842 0.19015 0.19508 0.19854 0.20703 0.21791 0.22500 0.23244 0.23488 0.24837 0.25022 0.26348 0.26678 0.27245 0.28077 0.28332 0.28617 0.28713 0.28909 0.28947 0.29529 0.29916 0.30234 0.30731 0.30769 0.30865 0.30992 0.31227 0.31372 0.31734 0.31850 0.32145 0.32269 0.32498 0.32592 0.32700 0.32790 0.32870 0.32956 0.33307 0.33676 0.33756 0.33975 0.34125 0.34148 0.34216 0.34410 0.34637 0.34748 0.34839 0.35049 0.35142 0.35511 0.35945 0.36695 0.37632 0.41893 0.49591 0.51830 0.53861 0.57701 0.83710 RFO step: Lambda=-3.71369565D-07. 1 2 3 0.00109948 0.00000122 0.00000000 0.00000110 0.00000032 0.00000032 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 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 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 2.87222 2.85375 2.80435 1.87177 2.41361 2.96364 2.98296 2.91566 2.93564 2.91364 2.88239 2.11800 2.96034 2.92899 2.09003 2.94833 3.01782 2.10712 2.86316 2.90746 2.10752 2.94195 2.09639 2.09591 2.10115 2.89467 2.96786 2.86627 2.93497 2.09175 2.09757 2.82930 2.07601 2.57156 2.06837 2.07921 2.08723 2.08958 2.06925 2.86407 2.58736 2.09512 2.08831 2.07288 2.07468 2.08759 2.08399 2.07778 2.57642 2.07538 2.79411 2.07373 2.80297 2.07181 1.88764 1.74772 1.86875 1.96226 2.02811 1.90755 1.94179 1.97739 1.78892 1.84846 2.15574 1.83075 1.83932 1.87012 1.93306 1.91772 1.91477 1.92399 1.90413 2.02592 1.94948 1.83364 2.00482 1.79777 1.82309 2.02496 1.77083 1.88362 1.99692 1.87968 1.90198 1.96827 1.90518 1.94415 1.88130 1.90855 1.85167 1.91329 1.94842 1.87244 1.98803 1.86650 1.86919 1.84675 1.97671 1.91973 1.90035 1.96418 1.85836 1.97809 1.91827 1.89348 1.90659 1.89696 1.86704 2.01878 1.96513 2.13036 2.02678 2.04638 1.90752 2.17830 2.19270 1.94784 1.93846 1.91895 1.89918 1.86841 1.88872 1.93456 2.14545 2.20198 2.01957 2.13453 2.12846 1.93832 1.89855 1.91976 1.91726 1.92330 1.86507 2.00282 1.99930 2.08966 2.07974 2.02046 1.90905 1.95162 1.91693 1.88675 1.91504 1.88395 2.16911 2.01027 2.10234 2.14811 2.11171 2.02336 2.12245 2.12830 2.03237 2.12945 2.12587 2.02786 2.91303 0.69340 -1.34937 3.02093 0.65893 -1.26491 -1.13978 2.78140 0.85756 0.99795 -1.36405 2.99530 -2.80093 -0.62568 1.37226 1.47763 -2.63031 -0.63237 -0.73716 1.43809 -2.84716 0.97456 -1.11598 3.12824 2.90968 0.81915 -1.21983 -1.17587 3.01677 0.97780 -1.08213 1.04051 3.13047 -3.00648 -0.88384 1.20612 1.01382 3.13645 -1.05678 1.04501 3.13292 -1.04535 -3.06360 -0.97569 1.12923 -0.96292 1.12499 -3.05328 -0.45907 2.78147 -2.71485 0.52569 1.47164 -1.57101 -0.83211 3.10684 1.14054 -2.93171 1.00723 -0.95906 1.25423 -1.09001 -3.05631 -2.97449 1.16991 -0.86595 -0.91358 -3.05236 1.19496 1.19572 -0.94306 -2.97893 -1.45076 0.74642 2.80787 0.86846 3.06565 -1.15608 2.83927 -1.24673 0.81472 -1.02558 1.05479 3.13179 2.90318 -1.29965 0.77736 0.94731 3.02768 -1.17850 -1.20321 -2.41397 1.15773 3.02617 1.81541 -0.89607 0.90889 -0.30187 -3.01335 0.38425 -2.80701 2.57824 -0.61303 -1.59999 1.49193 1.36411 -0.81444 -2.87434 -2.81481 1.28983 -0.77007 -0.80919 -2.98774 1.23554 1.01342 -2.09080 -1.11666 2.06230 3.11042 0.00619 -3.06611 -0.97673 1.11437 -1.01683 1.07254 -3.11954 1.10506 -3.08876 -0.99765 2.05933 -1.14036 0.00501 3.08851 -2.07574 1.00776 0.87287 -1.23922 3.00672 3.01812 0.90602 -1.13122 -1.23371 2.93739 0.90014 -2.67574 -0.00360 0.03120 2.70334 0.04423 -3.04572 3.08587 -0.00408 -0.95669 1.14436 -3.08848 2.14768 -2.03446 0.01589 -0.00494 3.13122 -3.10686 0.02931 -0.01725 3.11143 -3.09785 0.03083 3.13870 -0.00673 0.00228 3.14004 -3.12770 0.01772 0.02613 -3.11163 -0.00003 0.00003 0.00014 0.00005 0.00004 0.00001 0.00003 -0.00001 -0.00003 0.00001 0.00005 -0.00003 0.00001 -0.00002 0.00000 0.00003 -0.00001 -0.00006 0.00008 0.00001 -0.00003 -0.00011 0.00004 -0.00002 -0.00005 0.00004 -0.00001 0.00001 -0.00003 0.00000 0.00002 0.00002 -0.00001 0.00000 0.00004 -0.00003 0.00005 0.00002 0.00005 0.00004 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0.00002 0.00015 0.00014 0.00011 0.00012 0.00037 0.00039 -0.00010 -0.00001 0.00019 0.00011 0.00007 0.00005 -0.00008 -0.00003 -0.00014 0.00001 0.00020 -0.00007 0.00000 -0.00011 0.00000 0.00010 -0.00005 -0.00015 0.00017 0.00003 -0.00005 -0.00029 0.00008 0.00002 -0.00008 0.00017 -0.00006 0.00002 -0.00007 -0.00001 0.00004 0.00007 -0.00003 0.00002 0.00010 -0.00007 0.00009 0.00011 0.00011 0.00014 0.00000 -0.00002 -0.00003 0.00003 0.00009 -0.00001 0.00016 0.00004 0.00007 0.00000 0.00004 0.00008 0.00006 0.00005 -0.00057 -0.00007 -0.00013 -0.00012 -0.00024 0.00038 0.00014 0.00001 0.00007 -0.00001 0.00026 -0.00009 -0.00029 0.00002 0.00006 0.00000 0.00012 -0.00041 0.00020 -0.00028 -0.00005 0.00024 0.00006 0.00014 -0.00004 0.00040 -0.00008 0.00012 -0.00020 -0.00041 0.00022 0.00005 -0.00012 0.00004 0.00007 -0.00010 0.00006 -0.00044 0.00000 0.00022 0.00022 -0.00005 0.00005 0.00000 0.00026 -0.00001 -0.00010 -0.00008 -0.00006 0.00012 -0.00005 -0.00017 -0.00008 0.00006 0.00011 -0.00023 0.00035 -0.00062 0.00018 0.00031 -0.00001 0.00003 0.00003 0.00006 -0.00027 0.00014 0.00067 -0.00053 -0.00007 -0.00005 -0.00010 0.00010 0.00004 -0.00001 -0.00004 0.00015 -0.00001 0.00001 -0.00022 -0.00013 0.00020 0.00002 -0.00004 0.00027 -0.00007 -0.00012 -0.00019 0.00010 0.00015 0.00004 0.00013 -0.00022 0.00007 0.00014 -0.00024 0.00007 -0.00016 0.00009 0.00000 0.00001 -0.00001 0.00000 0.00005 -0.00006 0.00205 0.00209 0.00189 0.00031 -0.00010 0.00019 -0.00005 -0.00046 -0.00016 -0.00004 -0.00045 -0.00015 -0.00047 -0.00055 -0.00030 -0.00017 -0.00025 0.00000 -0.00050 -0.00058 -0.00032 -0.00011 -0.00015 -0.00017 -0.00040 -0.00045 -0.00047 0.00004 0.00000 -0.00002 -0.00090 -0.00019 -0.00036 -0.00096 -0.00026 -0.00043 -0.00105 -0.00035 -0.00052 0.00027 0.00047 0.00075 0.00064 0.00084 0.00112 0.00033 0.00053 0.00081 0.00083 0.00023 0.00053 -0.00007 0.00075 0.00015 -0.00006 0.00019 0.00013 -0.00021 0.00004 -0.00002 -0.00028 -0.00003 -0.00009 0.00016 0.00021 0.00020 0.00029 0.00034 0.00033 -0.00001 0.00004 0.00003 0.00017 0.00000 0.00016 -0.00014 -0.00032 -0.00015 -0.00007 -0.00025 -0.00009 -0.00010 -0.00008 0.00000 0.00031 0.00033 0.00041 0.00013 0.00015 0.00024 -0.00290 -0.00262 -0.00239 -0.00294 -0.00266 -0.00243 -0.00279 -0.00252 -0.00228 0.00113 -0.00001 0.00145 0.00031 0.00095 -0.00020 -0.00041 -0.00001 -0.00011 -0.00048 -0.00008 -0.00018 -0.00043 -0.00002 -0.00012 -0.00013 0.00005 -0.00038 -0.00020 -0.00019 -0.00001 0.00192 0.00191 0.00179 0.00200 0.00199 0.00187 0.00182 0.00181 0.00169 -0.00002 -0.00039 0.00004 -0.00033 0.00025 -0.00012 -0.00053 -0.00035 -0.00059 -0.00057 -0.00039 -0.00063 -0.00045 -0.00027 -0.00050 -0.00014 0.00002 -0.00041 -0.00025 -0.00124 -0.00004 -0.00063 0.00057 0.00046 0.00040 0.00043 0.00028 0.00022 0.00025 -0.00016 -0.00022 0.00003 -0.00003 0.00009 -0.00008 0.00047 0.00030 0.00003 0.00028 0.00009 0.00034 0.00000 -0.00024 0.00016 -0.00009 2.87212 2.85374 2.80453 1.87188 2.41369 2.96369 2.98288 2.91563 2.93550 2.91366 2.88259 2.11793 2.96034 2.92888 2.09003 2.94843 3.01778 2.10697 2.86333 2.90750 2.10747 2.94166 2.09646 2.09593 2.10107 2.89484 2.96780 2.86629 2.93491 2.09174 2.09761 2.82938 2.07598 2.57158 2.06847 2.07914 2.08732 2.08969 2.06936 2.86421 2.58736 2.09510 2.08828 2.07292 2.07477 2.08759 2.08415 2.07782 2.57649 2.07537 2.79414 2.07381 2.80303 2.07185 1.88707 1.74765 1.86862 1.96213 2.02787 1.90792 1.94193 1.97740 1.78900 1.84846 2.15600 1.83066 1.83903 1.87014 1.93312 1.91772 1.91489 1.92358 1.90432 2.02564 1.94943 1.83387 2.00488 1.79791 1.82305 2.02536 1.77075 1.88374 1.99672 1.87927 1.90220 1.96832 1.90506 1.94419 1.88137 1.90845 1.85173 1.91286 1.94843 1.87267 1.98826 1.86645 1.86925 1.84675 1.97697 1.91972 1.90025 1.96410 1.85830 1.97821 1.91822 1.89332 1.90652 1.89702 1.86715 2.01855 1.96548 2.12974 2.02696 2.04669 1.90751 2.17833 2.19273 1.94790 1.93820 1.91908 1.89985 1.86789 1.88864 1.93450 2.14535 2.20208 2.01961 2.13452 2.12842 1.93847 1.89854 1.91977 1.91705 1.92317 1.86526 2.00283 1.99926 2.08993 2.07967 2.02034 1.90886 1.95172 1.91708 1.88679 1.91517 1.88373 2.16918 2.01041 2.10211 2.14818 2.11155 2.02344 2.12244 2.12831 2.03236 2.12945 2.12592 2.02780 2.91509 0.69549 -1.34748 3.02123 0.65882 -1.26472 -1.13983 2.78095 0.85740 0.99791 -1.36450 2.99514 -2.80140 -0.62623 1.37197 1.47745 -2.63056 -0.63237 -0.73766 1.43751 -2.84748 0.97445 -1.11613 3.12806 2.90928 0.81870 -1.22030 -1.17583 3.01678 0.97778 -1.08302 1.04032 3.13010 -3.00744 -0.88410 1.20569 1.01277 3.13611 -1.05729 1.04528 3.13339 -1.04459 -3.06295 -0.97485 1.13036 -0.96259 1.12551 -3.05247 -0.45824 2.78170 -2.71431 0.52562 1.47240 -1.57086 -0.83216 3.10703 1.14067 -2.93192 1.00728 -0.95909 1.25395 -1.09004 -3.05640 -2.97433 1.17012 -0.86575 -0.91329 -3.05203 1.19529 1.19571 -0.94303 -2.97890 -1.45059 0.74642 2.80803 0.86832 3.06534 -1.15624 2.83919 -1.24698 0.81463 -1.02568 1.05470 3.13179 2.90348 -1.29932 0.77777 0.94745 3.02783 -1.17827 -1.20612 -2.41660 1.15534 3.02323 1.81275 -0.89850 0.90610 -0.30438 -3.01563 0.38539 -2.80703 2.57970 -0.61272 -1.59903 1.49174 1.36370 -0.81444 -2.87445 -2.81529 1.28975 -0.77025 -0.80962 -2.98776 1.23542 1.01329 -2.09075 -1.11704 2.06210 3.11023 0.00618 -3.06419 -0.97483 1.11616 -1.01483 1.07453 -3.11767 1.10688 -3.08695 -0.99596 2.05932 -1.14075 0.00505 3.08817 -2.07549 1.00764 0.87233 -1.23958 3.00613 3.01755 0.90563 -1.13185 -1.23415 2.93712 0.89964 -2.67588 -0.00357 0.03079 2.70309 0.04299 -3.04576 3.08523 -0.00351 -0.95623 1.14476 -3.08805 2.14796 -2.03424 0.01613 -0.00510 3.13100 -3.10682 0.02928 -0.01716 3.11135 -3.09738 0.03114 3.13873 -0.00645 0.00237 3.14038 -3.12770 0.01748 0.02629 -3.11172 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000140 0.000023 0.009639 0.001099 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -5.649611e-07 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 R51 R52 R53 R54 1 1 2 2 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 11 11 11 12 12 12 13 13 14 14 15 15 15 16 17 17 18 18 19 19 20 20 20 21 21 22 22 23 23 13 19 10 48 24 5 8 9 15 6 14 25 7 12 26 10 11 27 13 16 28 10 29 30 31 17 20 21 18 32 33 19 34 16 35 36 37 38 39 18 22 40 41 42 43 44 45 46 23 47 24 49 24 50 1.5199 1.5101 1.484 0.9905 1.2772 1.5683 1.5785 1.5429 1.5535 1.5418 1.5253 1.1208 1.5665 1.55 1.106 1.5602 1.597 1.115 1.5151 1.5386 1.1153 1.5568 1.1094 1.1091 1.1119 1.5318 1.5705 1.5168 1.5531 1.1069 1.11 1.4972 1.0986 1.3608 1.0945 1.1003 1.1045 1.1058 1.095 1.5156 1.3692 1.1087 1.1051 1.0969 1.0979 1.1047 1.1028 1.0995 1.3634 1.0982 1.4786 1.0974 1.4833 1.0964 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-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 10 5 5 5 8 8 9 4 4 4 6 6 14 5 5 5 7 7 12 6 6 6 10 10 11 4 4 4 13 13 16 4 4 4 10 10 29 2 2 2 7 7 9 7 7 7 17 17 20 6 6 6 18 18 32 1 1 8 8 19 5 5 16 4 4 4 36 36 37 8 8 14 11 11 18 12 12 12 17 17 40 1 1 13 13 42 11 11 11 44 44 45 11 11 23 17 17 24 21 21 24 3 3 22 2 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 48 8 9 15 9 15 15 6 14 25 14 25 25 7 12 26 12 26 26 10 11 27 11 27 27 13 16 28 16 28 28 10 29 30 29 30 30 7 9 31 9 31 31 17 20 21 20 21 21 18 32 33 32 33 33 8 34 19 34 34 16 35 35 36 37 38 37 38 38 14 39 39 18 22 22 17 40 41 40 41 41 42 43 42 43 43 44 45 46 45 46 46 23 47 47 24 49 49 24 50 50 22 23 23 108.1537 100.1368 107.0713 112.429 116.202 109.2944 111.2566 113.2963 102.4978 105.9091 123.515 104.8945 105.3855 107.1502 110.7561 109.8772 109.7081 110.2366 109.0983 116.0767 111.6968 105.0597 114.8679 103.0046 104.4552 116.0217 101.4609 107.9235 114.415 107.6978 108.9754 112.7734 109.1589 111.3915 107.7905 109.3519 106.0929 109.6235 111.6363 107.2831 113.906 106.9426 107.0969 105.8111 113.2571 109.9924 108.8821 112.539 106.4765 113.3362 109.909 108.4885 109.2397 108.6875 106.9734 115.6677 112.5935 122.0607 116.1257 117.2489 109.2929 124.8072 125.6323 111.6032 111.0657 109.9475 108.8151 107.0523 108.2154 110.842 122.9251 126.1642 115.7127 122.2995 121.952 111.0573 108.779 109.9941 109.8511 110.197 106.8605 114.7531 114.5512 119.7285 119.1602 115.7639 109.3803 111.8195 109.8322 108.1029 109.7237 107.9424 124.2809 115.1799 120.4553 123.0774 120.9922 115.9298 121.6072 121.9428 116.4462 122.0085 121.8032 116.1879 -DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 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 48 48 48 8 8 8 9 9 9 15 15 15 5 5 5 9 9 9 15 15 15 5 5 5 8 8 8 15 15 15 5 5 5 8 8 8 9 9 9 4 4 4 14 14 14 25 25 25 4 4 6 6 25 25 5 5 5 12 12 12 26 26 26 5 5 5 7 7 7 26 26 26 6 6 6 11 11 11 27 27 27 6 6 6 10 10 10 27 27 27 4 4 4 16 16 16 28 28 28 4 4 13 13 28 28 4 4 4 29 29 29 30 30 30 7 7 20 20 21 21 7 7 7 17 17 17 21 21 21 7 7 17 17 20 20 6 6 6 32 32 32 33 33 33 8 8 34 34 5 5 35 35 11 11 11 22 22 22 11 11 18 18 11 11 47 47 17 17 49 49 21 21 50 2 2 2 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 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 17 17 17 17 17 17 17 17 17 17 21 21 21 21 22 22 22 22 23 23 23 10 10 10 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 15 15 15 15 15 15 15 15 15 6 6 6 6 6 6 6 6 6 14 14 14 14 14 14 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 12 12 12 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 10 10 10 10 10 10 10 10 10 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 21 21 21 21 21 21 18 18 18 18 18 18 18 18 18 19 19 19 19 16 16 16 16 18 18 18 18 18 18 22 22 22 22 23 23 23 23 24 24 24 24 24 24 24 7 9 31 6 14 25 6 14 25 6 14 25 13 16 28 13 16 28 13 16 28 10 29 30 10 29 30 10 29 30 36 37 38 36 37 38 36 37 38 7 12 26 7 12 26 7 12 26 16 35 16 35 16 35 10 11 27 10 11 27 10 11 27 18 32 33 18 32 33 18 32 33 2 9 31 2 9 31 2 9 31 17 20 21 17 20 21 17 20 21 1 19 34 1 19 34 1 19 34 14 39 14 39 14 39 2 7 31 2 7 31 2 7 31 18 22 18 22 18 22 44 45 46 44 45 46 44 45 46 23 47 23 47 23 47 17 40 41 17 40 41 17 40 41 42 43 42 43 8 39 8 39 12 40 41 12 40 41 24 49 24 49 24 50 24 50 3 23 3 23 3 22 3 166.9046 39.7287 -77.3134 173.0863 37.7537 -72.4741 -65.3048 159.3626 49.1348 57.1783 -78.1544 171.6178 -160.4812 -35.8489 78.6248 84.6618 -150.7059 -36.2321 -42.2361 82.3963 -163.13 55.8383 -63.9407 179.2347 166.7126 46.9336 -69.891 -67.3726 172.8483 56.0238 -62.0012 59.6168 179.3625 -172.2584 -50.6404 69.1053 58.0875 179.7055 -60.5488 59.8747 179.5031 -59.8939 -175.5312 -55.9028 64.7002 -55.1713 64.457 -174.94 -26.3028 159.3663 -155.5492 30.1199 84.3189 -90.0121 -47.6761 178.0086 65.3482 -167.9744 57.7103 -54.9502 71.862 -62.4532 -175.1137 -170.4255 67.0311 -49.6152 -52.3442 -174.8876 68.4661 68.5098 -54.0336 -170.6799 -83.1227 42.767 160.8792 49.7593 175.649 -66.2387 162.678 -71.4323 46.68 -58.7612 60.4348 179.4385 166.3397 -74.4642 44.5394 54.2771 173.4731 -67.5232 -68.9391 -138.3105 66.3329 173.3868 104.0154 -51.3412 52.0757 -17.2957 -172.6523 22.016 -160.8301 147.7223 -35.1238 -91.6725 85.4814 78.1578 -46.6638 -164.6875 -161.2766 73.9018 -44.1219 -46.3633 -171.1848 70.7914 58.0648 -119.7942 -63.9798 118.1611 178.2138 0.3547 -175.675 -55.9628 63.8488 -58.2603 61.4519 -178.7365 63.3152 -176.9726 -57.161 117.9912 -65.3376 0.2871 176.9583 -118.931 57.7402 50.0117 -71.0023 172.2722 172.9253 51.9114 -64.8141 -70.6862 168.2999 51.5744 -153.3086 -0.2061 1.7875 154.8899 2.5342 -174.5066 176.8071 -0.2338 -54.8142 65.5668 -176.957 123.053 -116.566 0.9102 -0.2831 179.4058 -178.0097 1.6792 -0.9884 178.2719 -177.4936 1.7667 179.8343 -0.3857 0.1308 179.9108 -179.204 1.0154 1.497 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 0 0 300.2228999999998 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4.053643 2.660832 0.000000 7.195169 4.708496 5.929553 3.962601 2.544296 1.549956 2.548343 4.942294 4.445686 3.974144 3.032826 0.000000 1.519914 5.313260 10.749232 2.624073 3.813912 5.126055 5.606145 1.515118 3.460052 4.897580 7.105654 6.333914 0.000000 4.921124 5.161610 8.708727 2.412753 1.525296 2.702008 3.969015 2.389314 3.745995 4.424231 5.296316 3.202456 3.674887 0.000000 3.615949 3.049725 8.933457 1.553474 2.594591 3.088715 3.636992 2.554503 2.555731 3.145577 4.818580 4.523904 2.940387 3.099536 0.000000 3.942748 5.571130 9.742979 2.413300 2.355825 3.780974 4.816010 1.538563 3.796422 4.871889 6.275563 4.506697 2.567071 1.360812 3.096216 0.000000 8.421691 4.448419 3.660699 5.320631 4.340452 2.965107 2.495940 6.635031 5.100497 3.919389 1.531796 2.529971 7.932139 5.476380 5.780254 6.642738 0.000000 8.436836 5.027193 4.935599 5.183253 3.939539 2.592627 2.982240 6.348756 5.404011 4.517241 2.580294 1.553121 7.689173 4.719559 5.555019 6.017044 1.515599 0.000000 1.510138 6.479824 11.712194 3.914653 5.038494 6.428915 6.776901 2.635423 4.431998 5.964959 8.317158 7.574370 1.497203 4.854984 4.396831 3.620993 9.136945 8.963032 0.000000 7.796178 2.948081 5.301490 4.936675 4.567540 3.153891 2.645278 6.483993 4.716299 3.353633 1.570522 3.691436 7.436058 5.752609 4.745563 6.718075 2.523890 3.093477 8.770621 0.000000 7.864653 3.234517 3.645429 5.344643 5.051349 3.944723 2.550917 6.798665 4.479869 2.973411 1.516767 4.426551 7.831681 6.511205 5.735219 7.350632 2.535378 3.915146 8.907906 2.473532 0.000000 9.460892 5.482761 2.412358 6.469397 5.475010 4.225769 3.570653 7.721851 6.076040 4.868576 2.542121 3.621762 9.055690 6.609794 7.057002 7.764108 1.369171 2.523491 10.172783 3.585108 2.855222 0.000000 8.980447 4.568639 2.414164 6.497303 6.058889 4.965603 3.622299 7.870245 5.580488 4.163583 2.547338 5.127905 8.975621 7.490428 7.025248 8.380488 2.886288 4.400565 9.977208 3.554198 1.363384 2.514359 0.000000 9.791152 5.616306 1.277229 7.063426 6.307160 5.149933 4.097669 8.354252 6.357783 5.045893 2.995169 4.856269 9.607775 7.599712 7.686269 8.633027 2.504110 3.904231 10.633426 4.074892 2.485680 1.478578 1.483268 0.000000 4.883764 4.294744 7.065654 2.163182 1.120797 2.126455 2.610465 2.684107 2.584292 3.086293 4.097444 2.753303 4.175260 2.118925 3.518294 2.775937 4.349874 4.120068 5.158597 5.051058 5.019474 5.278428 5.850256 6.018411 0.000000 6.018527 3.166953 6.925053 2.845292 2.181760 1.105996 2.208141 4.165151 3.483705 3.012990 2.881565 2.178844 5.234102 3.030933 2.732083 4.042545 3.389882 2.901720 6.650607 2.819656 4.264702 4.746623 5.406393 5.681647 3.060339 0.000000 6.178740 3.371568 4.906871 3.398244 2.710517 2.145944 1.115040 4.567132 2.860864 2.111979 2.163933 2.672704 5.867762 4.136313 4.381976 4.959919 2.595395 3.177858 6.881573 3.545526 2.784134 3.350243 3.515182 3.804148 2.336894 3.078178 0.000000 2.743913 5.130568 9.285130 2.195229 2.773666 4.233374 4.576516 1.115253 2.729117 4.157898 6.173066 5.194554 2.136989 2.915122 3.490408 2.174131 6.765710 6.600608 2.679765 6.919442 6.854190 7.710910 7.798491 8.249150 2.569792 4.782449 4.460985 0.000000 3.663729 3.427326 7.332014 2.175937 2.751335 3.480105 2.950511 2.803161 1.109360 2.170185 4.426893 4.623318 3.752297 3.934483 3.508095 3.938755 5.280944 5.636472 4.451335 5.374657 4.729188 6.085901 5.631261 6.304944 2.359388 4.162765 2.758843 2.427360 0.000000 2.872867 2.667200 8.241586 2.204309 3.493971 4.064366 3.551834 3.009913 1.109108 2.190460 4.838976 5.509523 3.325903 4.577885 2.791911 4.377417 6.031257 6.412716 4.131581 5.335323 5.064525 6.985001 6.186221 7.128671 3.634523 4.317473 3.861423 3.116944 1.772830 0.000000 5.384132 2.102131 5.767340 3.496385 3.833273 3.543815 2.163683 4.765768 2.162804 1.111882 2.919022 4.665400 5.608628 5.332344 4.185577 5.734834 4.155962 5.040972 6.493698 3.835926 2.666443 4.833318 3.660275 4.696446 3.704192 4.022923 2.298869 4.695219 2.360854 2.561380 0.000000 7.464680 5.434097 6.895771 4.299449 2.847447 2.189990 3.513338 5.073710 5.095100 4.819216 4.013589 1.106906 6.416390 2.957966 4.695035 4.318350 3.477074 2.184130 7.685467 4.397103 5.464033 4.539687 6.189692 5.859718 3.237682 2.477137 3.713344 5.445535 5.325268 6.126575 5.617605 0.000000 7.245277 5.218475 5.746887 4.175093 2.685997 2.173840 2.837161 4.948787 4.524607 4.207953 3.491244 1.109986 6.430366 3.317763 5.059259 4.538885 2.853268 2.179215 7.521467 4.483036 4.670673 3.635783 5.186910 4.794768 2.434280 3.081668 2.501897 4.967090 4.429776 5.631356 4.728406 1.781759 0.000000 2.190891 5.466512 11.253861 3.017488 4.186261 5.353427 5.980317 2.228974 4.040970 5.313591 7.380722 6.581788 1.098575 3.894293 2.759770 2.855077 8.234372 7.891222 2.225902 7.486636 8.198751 9.443717 9.418235 10.063745 4.780314 5.237170 6.408969 3.105828 4.551361 3.872663 6.139533 6.546957 6.840566 0.000000 5.975064 5.933759 8.866200 3.453246 2.330338 3.077340 4.513624 3.448874 4.744787 5.235039 5.646544 3.076588 4.662681 1.094534 3.962555 2.187525 5.559744 4.546247 5.802714 6.045321 6.976094 6.657520 7.876553 7.799964 2.822370 3.336351 4.653913 3.919593 4.908392 5.624436 6.141056 2.487087 3.217157 4.778921 0.000000 4.549071 2.356948 8.311146 2.209635 2.879847 2.782610 3.184112 3.526709 2.810511 2.810126 4.080671 4.232923 4.020514 3.642752 1.100272 3.966700 5.133167 4.998372 5.452413 3.771209 5.016186 6.434302 6.345892 7.041606 3.829848 2.173667 4.125939 4.361753 3.851399 3.114210 3.880778 4.497441 4.930069 3.827522 4.359640 0.000000 4.055711 4.047887 9.611704 2.206061 2.854646 3.435389 4.351955 2.728617 3.520432 4.132498 5.484525 4.654873 3.031132 2.805067 1.104514 2.755271 6.257371 5.769236 4.520261 5.307609 6.564717 7.577684 7.835040 8.363462 3.883135 2.950825 5.072598 3.802607 4.355043 3.816199 5.202576 4.560900 5.246276 2.575649 3.500248 1.792884 0.000000 3.023892 3.251404 9.628393 2.192727 3.548456 4.104628 4.402068 2.865165 2.806923 3.554989 5.551240 5.584680 2.699610 4.023873 1.105760 3.720795 6.659888 6.569228 4.020171 5.424697 6.268170 7.899152 7.578866 8.390144 4.338015 3.760640 5.123932 3.753110 3.779789 2.587898 4.459629 5.797388 6.075420 2.411521 4.942569 1.773935 1.790589 0.000000 4.338589 6.610483 10.754876 3.451664 3.419427 4.801348 5.899903 2.323283 4.819131 5.954470 7.339730 5.385974 2.879495 2.193044 3.954079 1.095000 7.639525 6.909139 3.652155 7.739489 8.439921 8.749274 9.457640 9.664694 3.770812 5.001946 6.016817 2.834827 4.913012 5.301603 6.806377 5.043271 5.385776 3.031942 2.644636 4.874621 3.419824 4.453185 0.000000 8.716856 5.069752 5.576775 5.462860 4.350610 2.919800 3.463866 6.693183 5.806012 4.872182 2.887581 2.179455 7.923950 5.020294 5.523961 6.310445 2.160425 1.108691 9.287322 2.792645 4.278265 3.219874 4.892237 4.523600 4.775065 2.795321 3.945844 7.107011 6.220270 6.737432 5.509996 2.452591 3.082567 7.976390 4.796926 4.840357 5.643500 6.527867 7.170002 0.000000 9.323315 6.106291 4.916604 6.084864 4.718529 3.536898 3.952395 7.121655 6.335939 5.509923 3.521570 2.192513 8.519422 5.320596 6.545403 6.653098 2.162118 1.105088 9.746984 4.088353 4.695628 2.624723 4.919540 4.102348 4.760811 3.913841 3.931939 7.298071 6.448740 7.380039 5.953597 2.552898 2.460775 8.753190 4.974228 6.050633 6.685439 7.584561 7.466966 1.777958 0.000000 2.207021 7.306386 12.773104 4.841782 5.986639 7.358142 7.767344 3.583018 5.420753 6.925342 9.282451 8.510767 2.252482 5.668246 5.085633 4.373997 10.128242 9.905067 1.096923 9.634475 9.889496 11.200699 10.994069 11.677407 6.187581 7.483004 7.931211 3.743007 5.515326 5.030033 7.477593 8.546993 8.508608 2.544439 6.550981 6.148489 5.080755 4.588493 4.201127 10.165574 10.697433 0.000000 2.205359 6.888863 11.564770 4.224109 5.146803 6.602540 6.888451 2.854993 4.601577 6.156553 8.467843 7.624515 2.246948 4.976828 5.025136 3.780007 9.185945 9.042856 1.097873 9.101957 9.008554 10.123287 9.973312 10.555897 5.033079 6.992433 6.814335 2.465393 4.350616 4.420995 6.571471 7.778627 7.411076 3.161592 5.894708 6.052727 5.201085 4.793890 3.792372 9.487668 9.750993 1.858892 0.000000 8.882714 3.900227 4.978168 6.035799 5.594737 4.124381 3.588997 7.577834 5.767183 4.340862 2.199629 4.383998 8.540536 6.744655 5.828409 7.767542 2.741564 3.425867 9.872859 1.104707 2.728408 3.489689 3.481428 3.869951 6.022149 3.807788 4.346168 7.989958 6.374076 6.365327 4.663555 5.059600 5.149686 8.577778 6.945355 4.828128 6.352908 6.486949 8.777039 3.018201 4.239998 10.736938 10.193611 0.000000 7.715644 3.349661 6.046023 4.727330 4.231778 2.801710 2.887304 6.204257 4.860246 3.736893 2.229393 3.251921 7.160248 5.195900 4.379046 6.223188 2.803891 2.786669 8.569936 1.102798 3.456689 4.036497 4.512862 4.824482 4.888542 2.185631 3.846033 6.762589 5.578641 5.538777 4.450994 3.721090 4.222296 7.102788 5.365712 3.414707 4.731985 5.174386 7.179962 2.204043 3.796930 9.388110 8.951428 1.787074 0.000000 7.330929 2.232787 5.964063 4.783640 4.773532 3.570147 2.917345 6.358882 4.429898 3.078184 2.201631 4.451564 7.126360 6.002798 4.410224 6.791215 3.481082 4.098416 8.434361 1.099516 2.681111 4.492509 3.913522 4.748582 5.318328 3.133830 3.909269 6.839894 5.218410 4.840239 3.548956 5.140143 5.217682 7.132632 6.447778 3.382808 5.091561 4.895564 7.817999 3.807087 5.133951 9.249774 8.846713 1.802542 1.781060 0.000000 7.457318 2.667734 4.549690 5.264279 5.296328 4.341513 2.897628 6.736912 4.239894 2.731807 2.219046 5.123865 7.594191 6.788097 5.519450 7.473393 3.522606 4.784782 8.630642 2.749606 1.098241 3.952045 2.140756 3.486782 5.344114 4.533518 3.291685 6.829701 4.608979 4.598744 2.305284 6.122689 5.424217 7.932213 7.379222 4.789117 6.447307 5.872755 8.566678 5.033295 5.658352 9.567795 8.803231 3.100855 3.770309 2.493492 0.000000 4.727233 0.990498 7.647124 3.355323 4.310384 4.082454 3.332622 4.692042 2.546742 2.024666 3.950672 5.548944 5.008473 5.545899 3.064567 5.726352 5.419210 5.981197 6.069367 3.891101 4.047232 6.421768 5.331165 6.468692 4.761227 3.915446 4.107299 5.098429 3.496269 2.269000 2.465960 6.223128 6.010253 5.143688 6.416121 2.580214 4.120426 2.917062 6.712714 6.021122 7.059103 6.826954 6.548124 4.802952 4.255795 3.066038 3.321311 0.000000 10.251519 6.499415 2.637168 7.200485 6.046464 4.851688 4.444377 8.352436 6.934238 5.831165 3.546099 3.925786 9.748384 7.016911 7.830357 8.233800 2.150856 2.758184 10.854974 4.480076 3.951026 1.097371 3.492930 2.193034 5.800534 5.393894 4.132041 8.314493 6.876424 7.897747 5.834834 4.688089 3.823930 10.140412 6.911263 7.252710 8.251222 8.735047 9.155617 3.477285 2.392192 11.885497 10.754795 4.308373 4.768152 5.460164 5.048246 7.447096 0.000000 9.478338 5.120662 2.646816 7.249954 6.954785 5.949671 4.520421 8.598793 6.175142 4.792350 3.548884 6.195100 9.626211 8.423181 7.780894 9.233234 3.981025 5.495977 10.544596 4.424337 2.154638 3.494759 1.096352 2.202394 6.698176 6.381217 4.374503 8.467670 6.178645 6.645562 4.096033 7.266976 6.207473 10.103789 8.870797 7.112935 8.659105 8.226757 10.316543 5.968268 5.987084 11.554239 10.521085 4.279042 5.449582 4.606529 2.500315 5.755833 4.376496 0.000000 0.5510323 0.1329344 0.1219749 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= 279 280 280 280 280 MxSgAt= 50 MxSgA2= 50. 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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= 19306 NPrTT= 97602 LenC2= 17011 LenP2D= 54128. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 292 RedAO= T EigKep= 5.38D-04 NBF= 292 NBsUse= 292 1.00D-06 EigRej= -1.00D+00 NBFU= 292 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= 278 278 278 278 279 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 0 1 -1039.57340646418 -1039.66142866939 -0.088022205215 -1039.90233193777 -0.240903268375 -1036.57872370147 3.323608236296 -1039.67607593772 -3.097352236251 -1039.99024399712 -0.314168059399 -1040.00280800746 -0.012564010338 -1040.00327689789 -0.000468890426 -1040.00342159229 -0.000144694400 -1040.00342571471 -0.000004122424 -1040.00436483134 -0.000939116626 -1040.00436631809 -0.000001486747 -1040.00436595248 0.000000365600 -1040.00436688119 -0.000000928702 -1040.00436690735 -0.000000026159 -1040.00436691550 -0.000000008157 -1040.00436691645 -0.000000000947 -1040.00436691643 0.000000000025 -1040.00436691639 0.000000000032 -1040.00436692 19 1.035895185487e+03 -6.794444287307e+03 2.532375448387e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=927854709. IVT= 277946 IEndB= 277946 NGot= 939524096 MDV= 24246120 LenX= 24246120 LenY= 24160415 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 42778 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -2.72877001e+00 -1.39026751e+00 -5.60559498e-01 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 8 8 8 6 6 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 1 1 1 1 0.013063375 0.034026703 -0.009992344 0.000661838 0.020296940 -0.026413685 0.076647100 -0.000725008 0.039651031 0.000133347 -0.005089683 0.016368506 -0.002664755 0.006193747 -0.001196541 -0.001196162 -0.004258978 0.004130831 -0.003345097 -0.003260082 0.008944824 0.003572479 0.000214413 0.000844149 -0.008027283 0.009546476 0.007285793 0.003061646 0.005451521 0.018375510 0.012601278 0.002932819 0.008908695 -0.004545998 -0.004657471 -0.003490272 -0.002628898 -0.011953944 0.007001513 0.010860488 0.001339674 -0.004041755 -0.002934519 -0.000475114 -0.004565618 -0.007062160 0.006884285 0.000050687 -0.016836232 -0.000502049 -0.010408445 0.006826783 -0.010454317 -0.004651992 -0.011085829 -0.006540799 0.001365649 -0.001998635 0.007858922 -0.013172849 -0.024199279 -0.000504810 -0.012335871 0.019748054 0.004553852 0.011132690 0.022392677 -0.000371408 0.011570105 -0.069007227 0.002009535 -0.034983828 0.000132708 0.003750929 -0.005858985 -0.000217590 -0.003201475 0.005579407 -0.001975971 -0.000622308 -0.006482800 -0.000143619 0.001664583 -0.003172091 0.000863628 -0.003978667 0.002272599 0.004971178 -0.001167420 0.000016617 -0.004969298 -0.010207572 -0.000441011 0.000036405 -0.000349372 -0.001211812 0.000062179 0.002700827 0.001360119 -0.002918544 -0.002551843 -0.000722214 0.000320194 -0.015041760 -0.000576675 -0.001141277 -0.004509829 -0.004140056 -0.001197498 -0.005161184 -0.002890173 -0.000769973 0.003306835 0.000497300 -0.009866997 -0.011021448 0.000784413 -0.003088740 0.000460169 0.000607287 0.000632447 0.003271104 0.000858409 -0.006817227 -0.002296751 -0.002951073 0.002718292 -0.004433945 0.007505326 0.005706458 -0.002520526 -0.000451535 -0.002019405 -0.004988828 -0.003963961 0.001725650 -0.000828288 0.001373086 0.001106133 0.002088464 -0.000792420 0.001105845 0.004055222 0.001856781 0.000753542 -0.005412946 -0.000290219 0.000954492 0.004480804 0.000856900 0.076647100 0.012088870 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1040.02820152479 -1040.02824191418 -0.000040389396 -1040.02824069554 0.000001218644 -1040.02824228699 -0.000001591446 -1040.02824233592 -0.000000048933 -1040.02824236215 -0.000000026234 -1040.02824236818 -0.000000006024 -1040.02824236834 -0.000000000162 -1040.02824236832 0.000000000022 -1040.02824237 9 1.034772367444e+03 -6.738426895891e+03 2.505287159203e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=927854709. IVT= 277946 IEndB= 277946 NGot= 939524096 MDV= 24246120 LenX= 24246120 LenY= 24160415 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 42778 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (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 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 -18.778785 -18.768507 -18.729051 -9.967835 -9.963253 -9.961406 -9.956303 -9.935331 -9.927311 -9.923876 -9.923316 -9.921595 -9.916282 -9.913184 -9.913078 -9.911198 -9.910323 -9.908297 -9.906926 -9.905870 -9.904223 -9.899991 -9.885921 -9.880613 -0.965200 -0.935857 -0.918729 -0.806728 -0.790308 -0.740724 -0.725606 -0.703408 -0.689774 -0.670878 -0.662014 -0.647354 -0.620586 -0.606796 -0.598042 -0.573953 -0.563469 -0.555522 -0.537142 -0.518671 -0.499389 -0.495042 -0.489535 -0.467608 -0.449059 -0.443877 -0.437653 -0.429911 -0.420360 -0.419926 -0.409520 -0.402091 -0.397480 -0.391484 -0.383743 -0.372067 -0.368292 -0.365732 -0.354747 -0.351226 -0.348784 -0.347776 -0.339893 -0.335092 -0.330916 -0.326149 -0.323626 -0.321574 -0.315950 -0.310161 -0.308504 -0.302102 -0.295135 -0.290992 -0.282140 -0.275208 -0.270914 -0.252227 -0.236190 -0.226142 -0.224600 -0.221216 -0.217110 -0.180853 -0.087674 -0.040090 -0.034853 0.018592 0.028257 0.034557 0.061849 0.072279 0.078219 0.080378 0.083111 0.086483 0.089574 0.095162 0.101444 0.109791 0.111724 0.113905 0.119250 0.124203 0.127291 0.133224 0.134297 0.138307 0.142358 0.142848 0.151201 0.152306 0.158089 0.160612 0.162302 0.166396 0.169666 0.173491 0.181670 0.188597 0.191237 0.195656 0.197560 0.202803 0.209331 0.213382 0.216594 0.218537 0.223266 0.225635 0.232937 0.235613 0.240550 0.246186 0.255670 0.261543 0.268041 0.279148 0.279937 0.290673 0.293290 0.296990 0.305560 0.312583 0.316023 0.319396 0.325542 0.333710 0.338305 0.340245 0.348286 0.352807 0.358380 0.362655 0.363974 0.369410 0.370633 0.376637 0.382627 0.392474 0.397166 0.401167 0.401612 0.404167 0.410601 0.411586 0.430671 0.433124 0.446448 0.452355 0.457316 0.464974 0.469626 0.473309 0.482301 0.487957 0.491642 0.499189 0.506566 0.508562 0.516335 0.531550 0.540168 0.543428 0.548399 0.561215 0.580940 0.581271 0.595159 0.600640 0.615847 0.626428 0.630090 0.639581 0.649593 0.660964 0.670646 0.692157 0.696547 0.719066 0.730581 0.744436 0.761468 0.778309 0.784380 0.800095 0.810126 0.819173 0.826053 0.842661 0.847734 0.868595 0.878662 0.886899 0.900232 0.905695 0.921394 0.929155 0.932568 0.942693 0.947926 0.964062 0.973234 0.990846 1.006587 1.015386 1.023476 1.026526 1.044930 1.063693 1.066408 1.080509 1.085270 1.111887 1.120910 1.127458 1.131264 1.145040 1.151852 1.158978 1.176318 1.185515 1.199634 1.202715 1.214055 1.243293 1.250770 1.268903 1.274990 1.293418 1.320834 1.333431 1.348103 1.373496 1.377079 1.431175 1.473073 1.501369 1.513069 1.589548 1.603441 1.652153 1.723658 1.824927 22.349006 22.422392 22.469972 22.519234 22.545913 22.552586 22.577343 22.596075 22.611617 22.624350 22.645849 22.668958 22.675142 22.682571 22.696382 22.705383 22.725603 22.745992 22.748497 22.768221 22.778834 41.492092 41.532174 41.581177 29.118437 29.117839 29.117576 15.956380 15.959749 15.956432 15.957114 15.957654 15.954578 15.957514 15.958597 15.956285 15.953937 15.957256 15.955577 15.955026 15.955734 15.956016 15.957063 15.955725 15.953714 15.952898 15.955622 15.955271 2.308002 2.510104 2.606004 1.346940 1.390374 1.458306 1.474105 1.501640 1.561606 1.603108 1.538816 1.586990 1.451330 1.735852 1.529336 1.459724 1.450505 1.422102 1.483532 1.512204 1.284649 1.228602 1.395695 1.106794 1.272970 1.342113 1.234321 1.201977 1.274479 1.125016 1.263253 1.207948 1.123341 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1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 H 1S 2S 47 H 1S 2S 48 H 1S 2S 49 H 1S 2S 50 H 1S 2S 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 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 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C C 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 H H H H -0.306502 -0.467858 -0.256646 0.427706 -0.169645 -0.128483 -0.158990 -0.218328 -0.668069 -0.148979 0.132671 -0.472172 -0.064276 -0.289826 -0.875896 -0.274495 0.570598 -0.645499 -0.393806 -0.776667 -0.185254 -0.656242 -0.414465 0.182927 0.208838 0.251994 0.238886 0.216108 0.216394 0.255025 0.222638 0.218367 0.215924 0.246751 0.239126 0.273765 0.224610 0.231738 0.242164 0.226726 0.234949 0.219047 0.218789 0.229404 0.215955 0.282545 0.266375 0.348429 0.261492 0.252158 0.00000 -2.75673259e+00 -8.17067793e-01 -6.42272402e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -7.0069 -2.0768 -1.6325 7.4883 -174.1236 -136.8899 -146.8417 2.8316 -16.4138 -0.6250 -21.5052 15.7285 5.7767 2.8316 -16.4138 -0.6250 -349.5914 -3.8981 10.9231 42.8497 -63.9040 -71.9037 -34.1807 -2.7731 -4.2500 2.4526 -10212.4291 -1719.7890 -960.6668 60.8515 -640.4269 60.0755 -30.5792 -48.3172 -11.4618 -1894.0876 -1821.3534 -471.6493 -62.1550 58.8345 -33.2487 0 -1040.0282424 9.728E-9 5.499E-5 -15.988595,11.6937821,4.2948129,2.1051974,-12.2032531,-0.4646731 C01 [X(C21H26O3)] -2.7567326 -0.8170678 -0.6422724 @ 0.000032071 -0.000026703 0.000037598 0.000105965 0.000000032 -0.000201571 0.000032703 0.000001258 0.000019893 -0.000056850 -0.000020835 -0.000074391 0.000047112 0.000042011 -0.000039369 0.000001455 -0.000040717 0.000054318 0.000094062 -0.000027326 0.000017653 0.000138592 0.000011335 0.000177922 0.000101910 0.000052349 -0.000062557 -0.000226986 0.000004208 0.000257872 -0.000078671 0.000024966 -0.000032429 0.000024376 0.000003349 -0.000039171 -0.000143834 0.000055956 -0.000131868 -0.000040261 -0.000006151 0.000081522 0.000128289 -0.000068676 0.000002741 0.000019037 0.000028670 -0.000084560 0.000071138 -0.000007039 -0.000007936 -0.000046708 -0.000087463 -0.000004989 0.000017981 -0.000019409 0.000006518 0.000051640 0.000048244 0.000046570 -0.000053738 -0.000014818 -0.000023306 -0.000022273 0.000039700 -0.000013963 -0.000006620 0.000025650 0.000001426 0.000029757 0.000017106 -0.000022095 -0.000006004 -0.000015540 -0.000024579 0.000008931 0.000034196 -0.000001408 0.000002487 0.000024059 -0.000055496 -0.000032335 0.000021224 -0.000023435 -0.000010611 -0.000029334 0.000041065 0.000003992 -0.000020525 -0.000012237 -0.000001121 -0.000036421 -0.000042683 0.000005906 0.000011422 -0.000015249 -0.000007526 0.000018490 0.000018396 0.000024724 -0.000037899 0.000008597 0.000012358 -0.000045639 0.000003126 -0.000038266 0.000079324 0.000025010 -0.000060746 -0.000051932 0.000033678 0.000016890 0.000029880 -0.000034006 -0.000043008 -0.000030460 0.000026358 -0.000000823 0.000023140 0.000001536 0.000005390 0.000026376 0.000018211 -0.000020247 0.000003071 0.000025341 0.000002558 -0.000015388 0.000041001 0.000001078 -0.000015627 0.000012851 -0.000040932 -0.000040380 -0.000047455 -0.000022880 0.000009553 -0.000014457 0.000022560 0.000013609 -0.000007008 -0.000054840 0.000018429 0.000054244 0.000003762 -0.000031818 0.000000185 0.000008555 0.000022492 0.000002586 300.2228999999998 AuxInfo=1/0/N:20,15,18,12,14,16,23,21,22,9,19,17,24,6,5,8,10,13,7,11,4,3,2,1/CRV:5.3,6.3,7.3,8.3,9.3,12.3,13.3,22.1/rA:50OOO1CCCCCCCCCCC3CC3C3CCCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s4;s4;s2s7s9;s7;s6;s1s8;s5;s4;s8s14;s11;s12s17;s1s13;s11;s11;s17;s21;s3s22s23;s5;s6;s7;s8;s9;s9;s10;s12;s12;s13;s14;s15;s15;s15;s16;s18;s18;s19;s19;s20;s20;s20;s21;s2;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2035 CBGUSER 000247943 EM64L-G09RevD.01 28-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 144 C1[X(C21H26O3)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 300.2228999999998 0 1 AuxInfo=1/0/N:20,15,18,12,14,16,23,21,22,9,19,17,24,6,5,8,10,13,7,11,4,3,2,1/CRV:5.3,6.3,7.3,8.3,9.3,12.3,13.3,22.1/rA:50OOO1CCCCCCCCCCC3CC3C3CCCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s4;s4;s2s7s9;s7;s6;s1s8;s5;s4;s8s14;s11;s12s17;s1s13;s11;s11;s17;s21;s3s22s23;s5;s6;s7;s8;s9;s9;s10;s12;s12;s13;s14;s15;s15;s15;s16;s18;s18;s19;s19;s20;s20;s20;s21;s2;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-30646.inp" -scrdir="/scratch/" chk=000247943-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 000247943 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 16 16 16 12 12 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 1 1 1 1 15.9949146 15.9949146 15.9949146 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 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 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 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 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 (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| 0.000249 0.000060 0.029845 0.007513 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.890956e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2158.3391074955 292 680 292 88 88 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 50 50 50 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 0 0 0 300.2228999999998 AuxInfo=1/0/N:20,15,18,12,14,16,23,21,22,9,19,17,24,6,5,8,10,13,7,11,4,3,2,1/CRV:5.3,6.3,7.3,8.3,9.3,12.3,13.3,22.1/rA:50OOO1CCCCCCCCCCC3CC3C3CCCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s4;s4;s2s7s9;s7;s6;s1s8;s5;s4;s8s14;s11;s12s17;s1s13;s11;s11;s17;s21;s3s22s23;s5;s6;s7;s8;s9;s9;s10;s12;s12;s13;s14;s15;s15;s15;s16;s18;s18;s19;s19;s20;s20;s20;s21;s2;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.258274 0.000000 10.895054 6.830303 0.000000 3.272010 3.227667 8.243176 0.000000 4.685138 3.834896 7.452011 1.568290 0.000000 5.863479 3.318088 6.352113 2.597958 1.541834 0.000000 5.958483 2.488287 5.320209 3.006097 2.501156 1.566544 0.000000 2.569181 4.728718 9.473451 1.578513 2.413013 3.849711 4.419906 0.000000 3.442495 2.515867 7.488203 1.542900 2.502149 3.059038 2.612742 2.650088 0.000000 4.904666 1.483997 6.223809 2.581428 2.946528 2.652729 1.560188 4.012909 1.556811 0.000000 7.414810 2.981637 4.272389 4.501309 3.944894 2.618033 1.596963 5.973537 4.053642 2.660832 0.000000 7.195169 4.708496 5.929553 3.962601 2.544296 1.549957 2.548344 4.942294 4.445685 3.974144 3.032826 0.000000 1.519914 5.313260 10.749232 2.624073 3.813911 5.126055 5.606145 1.515118 3.460052 4.897579 7.105653 6.333914 0.000000 4.921124 5.161611 8.708727 2.412753 1.525296 2.702009 3.969016 2.389314 3.745995 4.424231 5.296316 3.202456 3.674887 0.000000 3.615949 3.049725 8.933457 1.553474 2.594590 3.088715 3.636993 2.554503 2.555731 3.145578 4.818580 4.523904 2.940387 3.099535 0.000000 3.942749 5.571130 9.742979 2.413301 2.355825 3.780974 4.816011 1.538563 3.796423 4.871889 6.275563 4.506697 2.567071 1.360812 3.096216 0.000000 8.421692 4.448419 3.660699 5.320631 4.340452 2.965107 2.495940 6.635031 5.100496 3.919389 1.531796 2.529971 7.932139 5.476380 5.780254 6.642739 0.000000 8.436836 5.027192 4.935600 5.183252 3.939539 2.592627 2.982239 6.348756 5.404011 4.517241 2.580294 1.553121 7.689173 4.719559 5.555019 6.017045 1.515599 0.000000 1.510138 6.479824 11.712194 3.914653 5.038494 6.428914 6.776901 2.635422 4.431997 5.964959 8.317158 7.574370 1.497203 4.854984 4.396831 3.620993 9.136945 8.963032 0.000000 7.796179 2.948081 5.301491 4.936675 4.567541 3.153890 2.645278 6.483993 4.716299 3.353634 1.570523 3.691436 7.436058 5.752610 4.745564 6.718075 2.523891 3.093476 8.770622 0.000000 7.864654 3.234517 3.645429 5.344643 5.051349 3.944723 2.550916 6.798665 4.479869 2.973411 1.516767 4.426551 7.831681 6.511206 5.735219 7.350632 2.535377 3.915146 8.907906 2.473533 0.000000 9.460892 5.482761 2.412359 6.469397 5.475009 4.225769 3.570653 7.721851 6.076040 4.868576 2.542121 3.621762 9.055690 6.609794 7.057002 7.764108 1.369171 2.523490 10.172782 3.585108 2.855222 0.000000 8.980447 4.568639 2.414163 6.497302 6.058888 4.965602 3.622298 7.870245 5.580487 4.163583 2.547338 5.127905 8.975621 7.490428 7.025248 8.380488 2.886287 4.400565 9.977207 3.554199 1.363384 2.514358 0.000000 9.791152 5.616306 1.277230 7.063426 6.307161 5.149934 4.097669 8.354252 6.357783 5.045893 2.995169 4.856269 9.607775 7.599712 7.686270 8.633027 2.504110 3.904231 10.633426 4.074892 2.485680 1.478578 1.483268 0.000000 4.883765 4.294744 7.065654 2.163182 1.120797 2.126455 2.610465 2.684108 2.584292 3.086294 4.097444 2.753302 4.175260 2.118925 3.518294 2.775938 4.349874 4.120068 5.158597 5.051058 5.019474 5.278428 5.850256 6.018411 0.000000 6.018527 3.166953 6.925054 2.845292 2.181760 1.105996 2.208141 4.165151 3.483705 3.012990 2.881565 2.178844 5.234102 3.030933 2.732083 4.042546 3.389882 2.901719 6.650607 2.819656 4.264702 4.746622 5.406393 5.681647 3.060340 0.000000 6.178740 3.371567 4.906872 3.398244 2.710516 2.145944 1.115039 4.567132 2.860863 2.111979 2.163932 2.672704 5.867761 4.136313 4.381976 4.959919 2.595395 3.177858 6.881572 3.545526 2.784134 3.350244 3.515182 3.804149 2.336894 3.078178 0.000000 2.743913 5.130568 9.285130 2.195229 2.773666 4.233374 4.576516 1.115252 2.729117 4.157898 6.173065 5.194553 2.136989 2.915122 3.490407 2.174131 6.765709 6.600608 2.679765 6.919442 6.854190 7.710909 7.798491 8.249150 2.569792 4.782449 4.460985 0.000000 3.663729 3.427326 7.332014 2.175937 2.751335 3.480104 2.950512 2.803161 1.109360 2.170185 4.426892 4.623317 3.752297 3.934482 3.508094 3.938755 5.280943 5.636472 4.451334 5.374657 4.729188 6.085901 5.631261 6.304944 2.359388 4.162765 2.758842 2.427359 0.000000 2.872867 2.667201 8.241586 2.204309 3.493971 4.064366 3.551834 3.009914 1.109109 2.190460 4.838976 5.509523 3.325903 4.577885 2.791912 4.377418 6.031257 6.412716 4.131580 5.335324 5.064526 6.985001 6.186221 7.128671 3.634523 4.317474 3.861422 3.116944 1.772829 0.000000 5.384133 2.102132 5.767340 3.496386 3.833273 3.543815 2.163684 4.765769 2.162805 1.111882 2.919021 4.665401 5.608628 5.332344 4.185578 5.734835 4.155962 5.040972 6.493698 3.835927 2.666443 4.833318 3.660275 4.696446 3.704193 4.022924 2.298869 4.695219 2.360854 2.561380 0.000000 7.464680 5.434096 6.895771 4.299449 2.847447 2.189990 3.513338 5.073710 5.095100 4.819216 4.013589 1.106906 6.416389 2.957966 4.695034 4.318350 3.477075 2.184130 7.685466 4.397103 5.464033 4.539687 6.189692 5.859718 3.237682 2.477136 3.713344 5.445534 5.325267 6.126575 5.617605 0.000000 7.245278 5.218475 5.746887 4.175094 2.685998 2.173841 2.837161 4.948787 4.524607 4.207953 3.491244 1.109986 6.430366 3.317764 5.059259 4.538886 2.853268 2.179215 7.521467 4.483035 4.670673 3.635783 5.186909 4.794768 2.434280 3.081667 2.501898 4.967090 4.429776 5.631357 4.728407 1.781759 0.000000 2.190891 5.466512 11.253862 3.017488 4.186261 5.353427 5.980318 2.228974 4.040970 5.313591 7.380722 6.581788 1.098576 3.894294 2.759770 2.855078 8.234372 7.891222 2.225902 7.486636 8.198751 9.443717 9.418235 10.063746 4.780315 5.237170 6.408969 3.105828 4.551361 3.872663 6.139534 6.546956 6.840567 0.000000 5.975065 5.933759 8.866201 3.453246 2.330339 3.077341 4.513625 3.448875 4.744788 5.235040 5.646544 3.076588 4.662682 1.094534 3.962555 2.187526 5.559744 4.546247 5.802714 6.045321 6.976095 6.657520 7.876553 7.799964 2.822370 3.336351 4.653913 3.919593 4.908392 5.624436 6.141057 2.487087 3.217157 4.778921 0.000000 4.549071 2.356948 8.311146 2.209635 2.879847 2.782609 3.184112 3.526709 2.810511 2.810126 4.080671 4.232923 4.020514 3.642752 1.100272 3.966701 5.133167 4.998371 5.452413 3.771209 5.016186 6.434302 6.345892 7.041605 3.829848 2.173668 4.125938 4.361752 3.851398 3.114210 3.880778 4.497441 4.930069 3.827522 4.359640 0.000000 4.055712 4.047887 9.611705 2.206062 2.854646 3.435389 4.351956 2.728618 3.520432 4.132499 5.484526 4.654873 3.031132 2.805067 1.104514 2.755271 6.257371 5.769236 4.520261 5.307610 6.564718 7.577684 7.835040 8.363462 3.883135 2.950825 5.072598 3.802607 4.355043 3.816200 5.202578 4.560900 5.246277 2.575649 3.500248 1.792885 0.000000 3.023891 3.251404 9.628394 2.192727 3.548456 4.104628 4.402068 2.865165 2.806923 3.554990 5.551240 5.584680 2.699609 4.023873 1.105761 3.720795 6.659888 6.569227 4.020170 5.424698 6.268171 7.899152 7.578866 8.390144 4.338015 3.760641 5.123931 3.753110 3.779788 2.587898 4.459630 5.797388 6.075421 2.411521 4.942570 1.773935 1.790589 0.000000 4.338589 6.610483 10.754876 3.451664 3.419426 4.801348 5.899903 2.323282 4.819131 5.954470 7.339729 5.385973 2.879496 2.193043 3.954078 1.095000 7.639525 6.909139 3.652155 7.739489 8.439921 8.749274 9.457640 9.664694 3.770812 5.001947 6.016817 2.834827 4.913011 5.301603 6.806377 5.043271 5.385776 3.031942 2.644636 4.874621 3.419824 4.453185 0.000000 8.716857 5.069752 5.576776 5.462860 4.350611 2.919801 3.463867 6.693184 5.806012 4.872183 2.887582 2.179456 7.923951 5.020295 5.523962 6.310446 2.160426 1.108691 9.287322 2.792645 4.278265 3.219874 4.892237 4.523600 4.775066 2.795321 3.945845 7.107012 6.220271 6.737433 5.509997 2.452591 3.082567 7.976391 4.796926 4.840357 5.643501 6.527868 7.170002 0.000000 9.323315 6.106291 4.916605 6.084864 4.718529 3.536899 3.952395 7.121655 6.335939 5.509924 3.521571 2.192514 8.519422 5.320597 6.545403 6.653098 2.162118 1.105088 9.746984 4.088353 4.695628 2.624723 4.919540 4.102348 4.760810 3.913840 3.931939 7.298071 6.448740 7.380039 5.953598 2.552898 2.460774 8.753190 4.974228 6.050633 6.685439 7.584561 7.466966 1.777958 0.000000 2.207021 7.306386 12.773104 4.841782 5.986639 7.358142 7.767344 3.583018 5.420753 6.925342 9.282450 8.510767 2.252483 5.668246 5.085633 4.373997 10.128243 9.905066 1.096923 9.634476 9.889496 11.200699 10.994069 11.677408 6.187582 7.483004 7.931211 3.743007 5.515326 5.030033 7.477593 8.546993 8.508608 2.544439 6.550981 6.148489 5.080755 4.588493 4.201127 10.165575 10.697433 0.000000 2.205360 6.888863 11.564770 4.224109 5.146804 6.602540 6.888452 2.854993 4.601577 6.156553 8.467843 7.624515 2.246948 4.976828 5.025135 3.780007 9.185945 9.042857 1.097873 9.101958 9.008554 10.123287 9.973312 10.555897 5.033080 6.992434 6.814335 2.465394 4.350616 4.420996 6.571471 7.778627 7.411077 3.161593 5.894709 6.052727 5.201085 4.793890 3.792372 9.487669 9.750994 1.858891 0.000000 8.882714 3.900226 4.978168 6.035799 5.594737 4.124381 3.588996 7.577834 5.767183 4.340862 2.199630 4.383998 8.540536 6.744655 5.828409 7.767542 2.741564 3.425867 9.872859 1.104707 2.728409 3.489688 3.481429 3.869951 6.022149 3.807788 4.346168 7.989958 6.374076 6.365327 4.663555 5.059599 5.149685 8.577778 6.945355 4.828128 6.352909 6.486949 8.777039 3.018201 4.239998 10.736938 10.193611 0.000000 7.715644 3.349660 6.046023 4.727329 4.231777 2.801710 2.887304 6.204257 4.860245 3.736893 2.229393 3.251922 7.160248 5.195900 4.379046 6.223189 2.803892 2.786669 8.569935 1.102798 3.456689 4.036497 4.512862 4.824482 4.888542 2.185631 3.846033 6.762589 5.578641 5.538777 4.450994 3.721090 4.222295 7.102787 5.365712 3.414706 4.731985 5.174386 7.179962 2.204044 3.796930 9.388110 8.951428 1.787074 0.000000 7.330929 2.232787 5.964063 4.783640 4.773533 3.570147 2.917345 6.358883 4.429898 3.078185 2.201631 4.451565 7.126360 6.002799 4.410225 6.791216 3.481083 4.098416 8.434361 1.099517 2.681111 4.492509 3.913522 4.748583 5.318328 3.133831 3.909270 6.839894 5.218410 4.840240 3.548957 5.140143 5.217683 7.132633 6.447779 3.382808 5.091561 4.895565 7.818000 3.807088 5.133951 9.249775 8.846714 1.802542 1.781060 0.000000 7.457317 2.667734 4.549690 5.264279 5.296328 4.341513 2.897627 6.736912 4.239893 2.731806 2.219046 5.123865 7.594190 6.788097 5.519450 7.473393 3.522605 4.784782 8.630641 2.749607 1.098242 3.952045 2.140756 3.486783 5.344114 4.533518 3.291685 6.829700 4.608978 4.598743 2.305283 6.122688 5.424217 7.932212 7.379222 4.789116 6.447307 5.872755 8.566677 5.033296 5.658352 9.567795 8.803231 3.100855 3.770309 2.493492 0.000000 4.727233 0.990497 7.647124 3.355323 4.310383 4.082453 3.332622 4.692043 2.546742 2.024666 3.950671 5.548944 5.008472 5.545899 3.064567 5.726352 5.419209 5.981196 6.069367 3.891102 4.047233 6.421768 5.331165 6.468692 4.761227 3.915446 4.107299 5.098429 3.496269 2.269001 2.465961 6.223128 6.010253 5.143688 6.416121 2.580213 4.120426 2.917062 6.712714 6.021122 7.059102 6.826955 6.548125 4.802952 4.255794 3.066037 3.321310 0.000000 10.251519 6.499415 2.637169 7.200484 6.046464 4.851688 4.444377 8.352436 6.934238 5.831165 3.546099 3.925786 9.748383 7.016911 7.830357 8.233800 2.150856 2.758184 10.854974 4.480076 3.951025 1.097371 3.492929 2.193033 5.800533 5.393894 4.132041 8.314492 6.876424 7.897746 5.834834 4.688089 3.823929 10.140412 6.911263 7.252710 8.251222 8.735047 9.155616 3.477285 2.392193 11.885497 10.754795 4.308373 4.768152 5.460165 5.048246 7.447095 0.000000 9.478338 5.120662 2.646817 7.249954 6.954785 5.949671 4.520421 8.598793 6.175141 4.792350 3.548884 6.195101 9.626211 8.423181 7.780894 9.233234 3.981024 5.495977 10.544596 4.424338 2.154638 3.494759 1.096353 2.202394 6.698175 6.381217 4.374503 8.467670 6.178645 6.645562 4.096032 7.266976 6.207473 10.103789 8.870797 7.112935 8.659105 8.226757 10.316543 5.968268 5.987084 11.554239 10.521085 4.279042 5.449582 4.606529 2.500315 5.755833 4.376496 0.000000 C21H26O3 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 0 0 0 300.2228999999998 AuxInfo=1/0/N:20,15,18,12,14,16,23,21,22,9,19,17,24,6,5,8,10,13,7,11,4,3,2,1/CRV:5.3,6.3,7.3,8.3,9.3,12.3,13.3,22.1/rA:50OOO1CCCCCCCCCCC3CC3C3CCCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s4;s4;s2s7s9;s7;s6;s1s8;s5;s4;s8s14;s11;s12s17;s1s13;s11;s11;s17;s21;s3s22s23;s5;s6;s7;s8;s9;s9;s10;s12;s12;s13;s14;s15;s15;s15;s16;s18;s18;s19;s19;s20;s20;s20;s21;s2;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5510323 0.1329344 0.1219749 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= 19306 NPrTT= 97602 LenC2= 17011 LenP2D= 54128. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 292 RedAO= T EigKep= 5.38D-04 NBF= 292 NBsUse= 292 1.00D-06 EigRej= -1.00D+00 NBFU= 292 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= 278 278 278 278 278 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 0 1 -1039.60813937762 -1039.64616282240 -0.038023444781 -1039.87180249783 -0.225639675427 -1036.47719748312 3.394605014707 -1039.71733625958 -3.240138776463 -1040.01991463410 -0.302578374516 -1040.02575562829 -0.005840994187 -1040.02717181318 -0.001416184899 -1040.02767077613 -0.000498962942 -1040.02767904829 -0.000008272160 -1040.02825387635 -0.000574828059 -1040.02825001406 0.000003862282 -1040.02825554914 -0.000005535079 -1040.02825582734 -0.000000278194 -1040.02825610347 -0.000000276132 -1040.02825611146 -0.000000007990 -1040.02825611213 -0.000000000673 -1040.02825611221 -0.000000000076 -1040.02825611224 -0.000000000035 -1040.02825611 19 1.034772255406e+03 -6.738426734505e+03 2.505287115491e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=927855197. IVT= 278434 IEndB= 278434 NGot= 939524096 MDV= 24245632 LenX= 24245632 LenY= 24159927 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 42778 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 50. Will process 51 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 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= 939523300 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=927591388. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 42778 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. CalDSu: requested number of processors reduced to: 2 ShMem 1 Linda. There are 153 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 150 vectors produced by pass 0 Test12= 1.80D-14 1.00D-09 XBig12= 5.05D+02 1.28D+01. AX will form 150 AO Fock derivatives at one time. CalDSu: requested number of processors reduced to: 2 ShMem 1 Linda. 150 vectors produced by pass 1 Test12= 1.80D-14 1.00D-09 XBig12= 2.71D+02 2.55D+00. CalDSu: requested number of processors reduced to: 2 ShMem 1 Linda. 150 vectors produced by pass 2 Test12= 1.80D-14 1.00D-09 XBig12= 9.89D-01 6.52D-02. CalDSu: requested number of processors reduced to: 2 ShMem 1 Linda. 150 vectors produced by pass 3 Test12= 1.80D-14 1.00D-09 XBig12= 7.03D-04 2.52D-03. CalDSu: requested number of processors reduced to: 2 ShMem 1 Linda. 88 vectors produced by pass 4 Test12= 1.80D-14 1.00D-09 XBig12= 8.14D-08 1.46D-05. CalDSu: requested number of processors reduced to: 3 ShMem 1 Linda. 5 vectors produced by pass 5 Test12= 1.80D-14 1.00D-09 XBig12= 9.25D-12 2.90D-07. 1 vectors produced by pass 6 Test12= 1.80D-14 1.00D-09 XBig12= 3.55D-15 4.88D-09. InvSVY: IOpt=1 It= 1 EMax= 1.54D-14 Solved reduced A of dimension 694 with 153 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 227.27 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 302.556 -0.987 203.703 -20.356 5.019 175.538 510.106 -0.636 357.955 -87.436 15.110 355.716 (Enter /mnt/data/applications/G09/g09/l716.exe) PT7631.500S 2018-01-28T07:24:18.000+01:00 -18.77878 -18.76851 -18.72905 -9.96784 -9.96325 -9.96140 -9.95630 -9.93534 -9.92732 -9.92388 -9.92331 -9.92159 -9.91628 -9.91319 -9.91308 -9.91120 -9.91032 -9.90830 -9.90693 -9.90587 -9.90423 -9.89999 -9.88592 -9.88061 -0.96520 -0.93586 -0.91873 -0.80673 -0.79031 -0.74072 -0.72561 -0.70341 -0.68977 -0.67088 -0.66201 -0.64735 -0.62059 -0.60679 -0.59804 -0.57395 -0.56347 -0.55552 -0.53714 -0.51867 -0.49939 -0.49504 -0.48953 -0.46761 -0.44906 -0.44388 -0.43765 -0.42991 -0.42036 -0.41993 -0.40952 -0.40209 -0.39748 -0.39148 -0.38374 -0.37207 -0.36829 -0.36573 -0.35475 -0.35122 -0.34878 -0.34778 -0.33989 -0.33509 -0.33092 -0.32615 -0.32363 -0.32157 -0.31595 -0.31016 -0.30850 -0.30210 -0.29513 -0.29099 -0.28214 -0.27521 -0.27091 -0.25223 -0.23619 -0.22614 -0.22460 -0.22122 -0.21711 -0.18085 -0.08767 -0.04009 -0.03486 0.01859 0.02826 0.03456 0.06185 0.07228 0.07822 0.08038 0.08311 0.08648 0.08957 0.09516 0.10144 0.10979 0.11172 0.11390 0.11925 0.12420 0.12729 0.13322 0.13429 0.13831 0.14236 0.14285 0.15120 0.15231 0.15809 0.16061 0.16230 0.16639 0.16966 0.17349 0.18167 0.18860 0.19124 0.19565 0.19756 0.20280 0.20933 0.21338 0.21659 0.21854 0.22327 0.22563 0.23294 0.23561 0.24055 0.24618 0.25566 0.26154 0.26804 0.27915 0.27994 0.29067 0.29329 0.29699 0.30556 0.31258 0.31602 0.31940 0.32554 0.33371 0.33830 0.34024 0.34829 0.35281 0.35838 0.36265 0.36398 0.36941 0.37063 0.37664 0.38263 0.39247 0.39716 0.40116 0.40161 0.40417 0.41060 0.41158 0.43067 0.43312 0.44645 0.45235 0.45731 0.46497 0.46963 0.47330 0.48230 0.48796 0.49164 0.49918 0.50657 0.50855 0.51633 0.53153 0.54016 0.54341 0.54839 0.56121 0.58093 0.58127 0.59516 0.60064 0.61585 0.62643 0.63009 0.63958 0.64959 0.66096 0.67065 0.69216 0.69655 0.71907 0.73058 0.74444 0.76147 0.77831 0.78438 0.80010 0.81013 0.81917 0.82605 0.84266 0.84773 0.86859 0.87866 0.88690 0.90024 0.90570 0.92139 0.92916 0.93257 0.94269 0.94793 0.96406 0.97323 0.99085 1.00658 1.01538 1.02348 1.02653 1.04493 1.06370 1.06641 1.08051 1.08527 1.11189 1.12091 1.12746 1.13126 1.14504 1.15185 1.15898 1.17632 1.18551 1.19963 1.20272 1.21406 1.24329 1.25077 1.26890 1.27499 1.29342 1.32084 1.33343 1.34810 1.37350 1.37708 1.43117 1.47307 1.50137 1.51307 1.58954 1.60343 1.65215 1.72366 1.82492 22.34900 22.42239 22.46997 22.51923 22.54591 22.55258 22.57734 22.59607 22.61162 22.62435 22.64585 22.66896 22.67514 22.68257 22.69638 22.70538 22.72560 22.74599 22.74850 22.76822 22.77883 41.49210 41.53218 41.58118 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 48 49 50 O O O C C 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 H H H H -0.306507 -0.467838 -0.256643 0.427679 -0.169652 -0.128690 -0.158930 -0.218237 -0.667963 -0.149096 0.132803 -0.472124 -0.064260 -0.289795 -0.875911 -0.274537 0.570585 -0.645561 -0.393814 -0.776696 -0.185317 -0.656244 -0.414468 0.182922 0.208846 0.252067 0.238882 0.216083 0.216382 0.255010 0.222651 0.218368 0.215929 0.246747 0.239112 0.273783 0.224607 0.231736 0.242173 0.226746 0.234959 0.219044 0.218785 0.229411 0.215962 0.282552 0.266383 0.348426 0.261496 0.252155 0.00000 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 O O O C C C C C C C C C C C C C C C C C C C C C -0.306507 -0.119412 -0.256643 0.427679 0.039194 0.123378 0.079952 -0.002154 -0.196571 0.073555 0.132803 -0.037827 0.182486 -0.050684 -0.145784 -0.032364 0.570585 -0.183856 0.044015 -0.048771 0.081065 -0.394748 -0.162313 0.182922 0.00000 -2.74461681e+00 8.54171254e-01 6.45214005e-01 3.02555676e+02 -9.86767731e-01 2.03703248e+02 -2.03561529e+01 5.01921652e+00 1.75538199e+02 -15.5540 -0.0006 -0.0006 0.0001 5.1696 12.8702 30.5839 46.9570 53.6171 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 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|A|A|A|A|A|A|A|A|A 30.4784 46.9002 53.6097 64.7559 108.0748 134.0770 145.9435 165.6195 183.1275 200.7763 212.3202 222.2346 250.2352 251.7407 258.6066 270.2970 291.0026 299.4473 315.2103 319.1306 325.6517 341.2888 357.1887 373.3753 395.5318 402.8048 413.5716 451.1529 464.7315 475.5217 495.8098 513.4806 542.6452 563.3273 566.1618 618.9405 646.7615 675.9516 693.7548 697.5306 724.1647 738.0231 757.1378 759.4054 783.1685 797.8447 816.1330 830.5346 846.0288 862.2057 880.2009 897.7564 906.2032 915.3338 928.2058 934.4481 947.4611 952.2490 971.0947 985.6117 988.8818 1006.6062 1014.7675 1020.2756 1027.4512 1033.0995 1046.8566 1063.0801 1078.9799 1094.9905 1101.0155 1105.1934 1107.8785 1120.8997 1124.4815 1127.1918 1149.0060 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