Gaussian 09 GINC-KIMIK2026 CBGUSER 000103494 EM64L-G09RevD.01 29-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 288.2567999999998 0 1 AuxInfo=1/0/N:13,14,11,12,23,24,19,21,20,22,15,17,16,18,5,6,7,8,3,4,9,10,1,2/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.3,22.3,23.3,24.3/rA:50C3C3CCC3C3C3C3C3C3CCCCC3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s2;s1;s2;s5;s6s7;s3;s4;s3;s4;s7;s8;s9;s10;s9;s10;s15;s16;s17;s18;s19s21;s20s22;s3;s4;s5;s6;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-13896.inp" -scrdir="/scratch/" chk=000103494.chk nprocshared=4 mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000103494 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 12 12 12 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 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 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 1 1 1 2 2 3 3 3 4 4 4 5 5 6 6 7 7 8 9 9 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 24 2 3 5 4 6 9 11 25 10 12 26 7 27 8 28 8 13 14 15 17 16 18 29 30 31 32 33 34 35 36 37 38 39 40 19 41 20 42 21 43 22 44 23 45 24 46 23 47 24 48 49 50 1.3746 1.5337 1.3756 1.4935 1.395 1.4915 1.5498 1.09 1.5332 1.5483 1.0944 1.3948 1.0851 1.3949 1.0848 1.3949 1.4932 1.4934 1.395 1.395 1.3746 1.3746 1.096 1.0953 1.0955 1.0958 1.0958 1.0935 1.0949 1.0947 1.0957 1.0948 1.0956 1.0948 1.3948 1.0864 1.3948 1.0854 1.395 1.085 1.3949 1.0836 1.3947 1.086 1.3948 1.086 1.3948 1.0861 1.3949 1.0862 1.0861 1.086 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 3 1 1 4 1 1 1 9 9 11 2 2 2 10 10 12 1 1 7 2 2 8 5 5 8 6 6 7 3 3 15 4 4 16 3 3 3 29 29 30 4 4 4 32 32 33 7 7 7 35 35 36 8 8 8 38 38 39 9 9 19 10 10 20 9 9 21 10 10 22 15 15 23 16 16 24 17 17 23 18 18 24 19 19 21 20 20 22 1 1 1 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 3 5 5 4 6 6 9 11 25 11 25 25 10 12 26 12 26 26 7 27 27 8 28 28 8 13 13 7 14 14 15 17 17 16 18 18 29 30 31 30 31 31 32 33 34 33 34 34 35 36 37 36 37 37 38 39 40 39 40 40 19 41 41 20 42 42 21 43 43 22 44 44 23 45 45 24 46 46 23 47 47 24 48 48 21 49 49 22 50 50 119.4997 122.9261 117.5742 122.4078 118.5478 119.0444 113.1972 109.3706 112.8418 115.5814 104.1573 101.009 112.9102 113.3965 110.6212 112.5814 100.8377 105.4839 118.53 121.8076 119.6603 119.9907 121.9323 118.0593 119.9968 119.0441 120.9591 120.0087 119.0344 120.957 120.0003 119.9997 120.0 118.4851 118.4995 123.0153 110.7918 112.9039 110.9357 107.7596 107.7094 106.4934 111.9613 111.4777 111.0456 108.6595 106.4067 107.0339 110.6288 110.617 111.7847 109.4432 107.1167 107.1165 110.5926 111.8816 110.6149 107.1259 109.426 107.0645 120.003 120.9124 119.0846 118.4913 122.0004 119.508 119.988 122.2468 117.7628 118.4827 123.6121 117.8943 119.998 119.9997 120.0023 120.0055 120.0005 119.9939 120.0024 120.0214 119.9761 120.0089 120.0284 119.9621 120.0086 119.9945 119.9969 119.9964 119.9964 120.0072 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 5 5 2 2 2 5 5 5 2 2 3 3 1 1 1 6 6 6 1 1 4 4 1 1 11 11 25 25 1 1 1 9 9 9 25 25 25 2 2 12 12 26 26 2 2 2 10 10 10 26 26 26 1 1 27 27 2 2 28 28 5 5 13 13 5 5 5 8 8 8 6 6 6 7 7 7 3 3 17 17 3 3 15 15 4 4 18 18 4 4 16 16 9 9 41 41 10 10 42 42 9 9 43 43 10 10 44 44 15 15 45 45 16 16 46 46 17 17 47 47 18 18 48 48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 2 2 2 2 3 3 3 3 3 3 5 5 5 5 4 4 4 4 4 4 6 6 6 6 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 7 7 7 7 8 8 8 8 8 8 8 8 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 17 17 17 17 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 23 23 23 23 24 24 24 24 4 6 4 6 9 11 25 9 11 25 7 27 7 27 10 12 26 10 12 26 8 28 8 28 15 17 15 17 15 17 29 30 31 29 30 31 29 30 31 16 18 16 18 16 18 32 33 34 32 33 34 32 33 34 8 13 8 13 7 14 7 14 6 14 6 14 35 36 37 35 36 37 38 39 40 38 39 40 19 41 19 41 21 43 21 43 20 42 20 42 22 44 22 44 23 45 23 45 24 46 24 46 23 47 23 47 24 48 24 48 21 49 21 49 22 50 22 50 19 49 19 49 20 50 20 50 -0.0107 179.983 -179.9754 0.0183 -118.565 110.9969 -0.5793 61.4015 -69.0366 179.3872 -0.0193 -179.4815 -179.9846 0.5532 146.6992 -83.7262 34.5427 -33.2945 96.2802 -145.451 -0.008 178.4314 179.9859 -1.5747 82.7781 -97.2431 -149.9772 30.0015 -40.155 139.8238 -178.2147 60.8132 -58.6344 52.6452 -68.3268 172.2256 -59.0322 179.9957 60.5481 -79.9827 99.9897 150.0273 -30.0004 38.0646 -141.963 -54.4905 -176.4539 64.2914 75.2504 -46.713 -165.9676 -175.692 62.3446 -56.9101 0.0099 -179.9827 179.484 -0.5086 -0.0005 179.9958 -178.4997 1.4967 -0.0005 -179.9968 179.992 -0.0043 119.4018 -119.1558 0.1189 -60.5907 60.8517 -179.8736 -118.9705 0.3632 119.6345 61.0258 -179.6404 -60.3692 179.9907 -0.0182 0.012 -179.997 -179.9847 0.5886 -0.0059 -179.4326 179.9885 0.1753 0.0174 -179.7957 -179.9808 -1.2107 -0.0098 178.7603 -0.0128 179.981 179.996 -0.0102 -0.0179 -179.9324 179.8 -0.1145 0.0006 -179.8643 179.4527 -0.4123 0.0027 179.7174 -178.8384 0.8762 0.0076 179.9671 -179.9862 -0.0267 0.0115 -179.9023 179.926 0.0122 -0.0015 -179.961 179.8636 -0.096 -0.0038 179.9101 -179.7186 0.1952 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 278 300 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= 17088 LenP2D= 53371. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 292 RedAO= T EigKep= 2.32D-04 NBF= 292 NBsUse= 292 1.00D-06 EigRej= -1.00D+00 NBFU= 292 Using GEDIIS/GDIIS optimizer. local minimum Step number 15 out of a maximum of 278 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00098 0.00141 0.00280 0.00347 0.00592 0.00768 0.00854 0.00995 0.01548 0.01590 0.01614 0.01679 0.01724 0.01953 0.02087 0.02101 0.02154 0.02155 0.02157 0.02157 0.02157 0.02157 0.02158 0.02159 0.02160 0.02164 0.02168 0.02181 0.02216 0.02235 0.02286 0.02298 0.02322 0.02379 0.02435 0.04066 0.04548 0.05244 0.05344 0.05366 0.05509 0.05552 0.05573 0.06431 0.06694 0.07170 0.07182 0.07189 0.07202 0.15161 0.15761 0.15942 0.15972 0.15997 0.15999 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16002 0.16005 0.16014 0.16021 0.16043 0.16058 0.16069 0.16112 0.16336 0.18585 0.18733 0.19228 0.20592 0.21947 0.21996 0.22001 0.22012 0.22423 0.23300 0.23580 0.23958 0.24861 0.24969 0.25001 0.25028 0.25219 0.26775 0.27820 0.28269 0.29551 0.30938 0.32976 0.33094 0.33189 0.33535 0.34056 0.34138 0.34153 0.34168 0.34171 0.34197 0.34222 0.34259 0.34265 0.34273 0.34317 0.34382 0.34509 0.34845 0.35256 0.35260 0.35266 0.35272 0.35274 0.35282 0.35345 0.35365 0.35384 0.35404 0.35676 0.36445 0.37637 0.42164 0.42484 0.42559 0.42701 0.43569 0.44653 0.45501 0.46306 0.46467 0.46505 0.46516 0.46530 0.46663 0.47610 0.48942 0.49358 0.53443 0.56931 RFO step: Lambda=-1.08741950D-08. 1 2 0.00114808 0.00000060 0.00000033 0.00000001 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 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 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 2.69357 2.91275 2.68419 2.91321 2.68434 2.90983 2.93113 2.09373 2.90906 2.93159 2.09388 2.66463 2.07405 2.66490 2.07371 2.70002 2.86910 2.86919 2.68631 2.67735 2.68612 2.67731 2.08943 2.08884 2.08639 2.08870 2.08946 2.08614 2.09289 2.09272 2.08475 2.09296 2.08473 2.09273 2.66413 2.07386 2.66413 2.07388 2.67528 2.06884 2.67537 2.06916 2.67562 2.07139 2.67565 2.07140 2.66766 2.07171 2.66770 2.07167 2.07087 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-0.00072 0.00033 0.00033 0.00033 0.00021 0.00020 0.00021 0.00028 0.00028 0.00029 0.00001 -0.00005 0.00004 -0.00002 0.00003 0.00007 -0.00009 -0.00004 -0.00007 -0.00012 -0.00001 -0.00006 0.00050 0.00051 0.00048 0.00044 0.00045 0.00042 0.00013 0.00012 0.00012 0.00017 0.00017 0.00017 -0.00002 -0.00013 -0.00011 -0.00022 0.00001 0.00007 0.00011 0.00017 -0.00018 -0.00022 -0.00002 -0.00005 0.00019 0.00022 0.00002 0.00005 0.00003 -0.00001 0.00015 0.00010 0.00000 -0.00002 0.00004 0.00002 -0.00003 0.00000 -0.00009 -0.00006 0.00000 0.00001 -0.00003 -0.00002 0.00004 0.00000 0.00009 0.00005 0.00002 0.00000 0.00004 0.00002 -0.00004 0.00000 -0.00008 -0.00003 -0.00001 0.00000 -0.00002 -0.00001 2.69354 2.91272 2.68421 2.91323 2.68436 2.90985 2.93114 2.09374 2.90907 2.93157 2.09387 2.66463 2.07405 2.66490 2.07372 2.70002 2.86910 2.86920 2.68632 2.67733 2.68613 2.67729 2.08944 2.08885 2.08640 2.08870 2.08946 2.08615 2.09289 2.09273 2.08475 2.09296 2.08473 2.09273 2.66412 2.07386 2.66413 2.07388 2.67530 2.06883 2.67539 2.06917 2.67564 2.07139 2.67566 2.07140 2.66765 2.07171 2.66770 2.07167 2.07088 2.07085 2.16104 2.06538 2.05606 2.15839 2.06495 2.05893 1.95229 1.92077 1.88912 1.98719 1.84936 1.85882 1.95592 1.91912 1.88867 1.98600 1.84805 1.85970 2.15034 2.06326 2.06946 2.15020 2.06336 2.06949 2.06752 2.10427 2.11137 2.06795 2.10424 2.11097 2.07397 2.14939 2.05968 2.07385 2.14939 2.05980 1.94579 1.94263 1.92103 1.89436 1.88495 1.87263 1.94150 1.94567 1.92136 1.89441 1.87276 1.88575 1.94844 1.94809 1.94097 1.85989 1.88224 1.88035 1.94856 1.94101 1.94794 1.88226 1.85975 1.88046 2.11713 2.07691 2.08907 2.11698 2.07736 2.08879 2.11104 2.09615 2.07599 2.11116 2.09575 2.07627 2.09596 2.09248 2.09474 2.09603 2.09253 2.09462 2.10095 2.08853 2.09371 2.10067 2.08866 2.09385 2.08160 2.10046 2.10112 2.08172 2.10031 2.10116 -0.00416 -3.09878 3.09601 0.00139 -2.30742 1.74849 -0.27641 0.87539 -1.35189 2.90640 -0.00805 3.11653 3.09464 -0.06397 2.35808 -1.69791 0.32689 -0.83033 1.39686 -2.86152 0.00598 -3.11768 -3.09135 0.06817 1.02009 -2.13996 -3.07190 0.05123 -1.03487 2.08827 -3.07300 1.09225 -0.98166 1.00240 -1.11554 3.09373 -1.02913 3.13611 1.06220 -1.04374 2.11651 3.04845 -0.07449 1.01182 -2.11112 -1.09254 3.07351 0.98104 1.11785 -0.99929 -3.09176 -3.13550 1.03054 -1.06193 0.00724 3.14072 -3.11727 0.01621 -0.00681 -3.14006 3.11680 -0.01646 0.00020 3.13343 -3.13324 -0.00002 2.10538 -2.09824 0.00225 -1.04453 1.03503 3.13553 -2.10127 0.00200 2.10256 1.04886 -3.13105 -1.03049 3.12094 -0.03387 -0.00314 3.12523 -3.12371 0.01517 -0.00044 3.13844 -3.12122 0.03219 0.00268 -3.12710 3.12335 -0.01481 0.00027 -3.13789 0.00383 -3.13947 -3.12445 0.01543 -0.00303 3.13948 3.12667 -0.01401 0.00334 -3.14062 -3.13556 0.00366 -0.00287 3.14099 3.13532 -0.00400 -0.00087 3.14040 -3.14076 0.00051 0.00038 -3.14115 3.14106 -0.00047 -0.00266 3.13925 3.14131 0.00004 0.00253 -3.13913 -3.14134 0.00019 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000028 0.000004 0.006386 0.001148 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -3.388537e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 1 1 1 2 2 3 3 3 4 4 4 5 5 6 6 7 7 8 9 9 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 24 2 3 5 4 6 9 11 25 10 12 26 7 27 8 28 8 13 14 15 17 16 18 29 30 31 32 33 34 35 36 37 38 39 40 19 41 20 42 21 43 22 44 23 45 24 46 23 47 24 48 49 50 1.4254 1.5414 1.4204 1.5416 1.4205 1.5398 1.5511 1.108 1.5394 1.5513 1.108 1.4101 1.0975 1.4102 1.0974 1.4288 1.5183 1.5183 1.4215 1.4168 1.4214 1.4168 1.1057 1.1054 1.1041 1.1053 1.1057 1.1039 1.1075 1.1074 1.1032 1.1075 1.1032 1.1074 1.4098 1.0974 1.4098 1.0974 1.4157 1.0948 1.4157 1.095 1.4159 1.0961 1.4159 1.0961 1.4117 1.0963 1.4117 1.0963 1.0959 1.0958 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 3 1 1 4 1 1 1 9 9 11 2 2 2 10 10 12 1 1 7 2 2 8 5 5 8 6 6 7 3 3 15 4 4 16 3 3 3 29 29 30 4 4 4 32 32 33 7 7 7 35 35 36 8 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108.5424 107.3016 108.0451 111.6364 111.6183 111.2095 106.5638 107.8437 107.7367 111.6439 111.212 111.6087 107.8456 106.5556 107.7426 121.3022 118.9992 119.6943 121.2945 119.0234 119.6786 120.9535 120.1001 118.9462 120.9606 120.0771 118.962 120.09 119.8898 120.0202 120.0938 119.8924 120.0138 120.3755 119.6645 119.9599 120.3601 119.6714 119.9684 119.2671 120.3479 120.385 119.2733 120.3395 120.3872 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 5 5 2 2 2 5 5 5 2 2 3 3 1 1 1 6 6 6 1 1 4 4 1 1 11 11 25 25 1 1 1 9 9 9 25 25 25 2 2 12 12 26 26 2 2 2 10 10 10 26 26 26 1 1 27 27 2 2 28 28 5 5 13 13 5 5 5 8 8 8 6 6 6 7 7 7 3 3 17 17 3 3 15 15 4 4 18 18 4 4 16 16 9 9 41 41 10 10 42 42 9 9 43 43 10 10 44 44 15 15 45 45 16 16 46 46 17 17 47 47 18 18 48 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 2 2 2 2 3 3 3 3 3 3 5 5 5 5 4 4 4 4 4 4 6 6 6 6 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 7 7 7 7 8 8 8 8 8 8 8 8 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 17 17 17 17 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 23 23 23 23 24 24 24 4 6 4 6 9 11 25 9 11 25 7 27 7 27 10 12 26 10 12 26 8 28 8 28 15 17 15 17 15 17 29 30 31 29 30 31 29 30 31 16 18 16 18 16 18 32 33 34 32 33 34 32 33 34 8 13 8 13 7 14 7 14 6 14 6 14 35 36 37 35 36 37 38 39 40 38 39 40 19 41 19 41 21 43 21 43 20 42 20 42 22 44 22 44 23 45 23 45 24 46 24 46 23 47 23 47 24 48 24 48 21 49 21 49 22 50 22 50 19 49 19 49 20 50 20 -0.2388 -177.5404 177.3885 0.0868 -132.1594 100.2283 -15.7912 50.2016 -77.4107 166.5698 -0.4661 178.56 177.3053 -3.6686 135.1383 -97.2483 18.7632 -47.5515 80.0618 -163.9267 0.3387 -178.6409 -177.1184 3.902 58.5018 -122.5617 -175.952 2.9845 -59.2396 119.6969 -176.1159 62.5355 -56.2906 57.3864 -63.9622 177.2117 -59.0097 179.6417 60.8156 -59.7686 121.3102 174.6927 -4.2285 58.004 -120.9172 -62.6167 176.0804 56.1901 64.0362 -57.2667 -177.157 -179.6674 59.0297 -60.8606 0.4142 179.953 -178.6086 0.9302 -0.3917 -179.9167 178.5844 -0.9406 0.0157 179.5388 -179.5212 0.0019 120.6006 -120.2497 0.1011 -59.8722 59.2774 179.6283 -120.4012 0.1075 120.4609 60.0856 -179.4057 -59.0523 178.8178 -1.9332 -0.1736 179.0753 -178.9761 0.8648 -0.0314 179.8095 -178.8225 1.8568 0.1543 -179.1663 178.9436 -0.8613 0.0143 -179.7906 0.2174 -179.8776 -179.0264 0.8786 -0.1736 179.88 179.1427 -0.8037 0.1935 -179.9441 -179.6492 0.2132 -0.1644 179.965 179.6427 -0.228 -0.0523 179.9315 -179.9572 0.0266 0.021 -179.9748 179.9673 -0.0284 -0.1501 179.8661 179.9879 0.0041 0.1456 -179.8587 -179.9841 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 288.2567999999998 AuxInfo=1/0/N:13,14,11,12,23,24,19,21,20,22,15,17,16,18,5,6,7,8,3,4,9,10,1,2/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.3,22.3,23.3,24.3/rA:50C3C3CCC3C3C3C3C3C3CCCCC3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s2;s1;s2;s5;s6s7;s3;s4;s3;s4;s7;s8;s9;s10;s9;s10;s15;s16;s17;s18;s19s21;s20s22;s3;s4;s5;s6;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.374573 0.000000 1.533702 2.513546 0.000000 2.514027 1.493465 2.931141 0.000000 1.375629 2.416078 2.489547 3.791709 0.000000 2.380814 1.395014 3.791467 2.489867 2.789868 0.000000 2.381306 2.789885 3.775433 4.283215 1.394789 2.416172 0.000000 2.749189 2.416066 4.282751 3.775817 2.415889 1.394949 1.394884 0.000000 2.525651 3.564880 1.491501 3.985420 3.061433 4.730045 4.362996 5.053265 0.000000 3.751365 2.522671 4.321524 1.533191 4.878534 2.874374 5.069389 4.234320 5.139315 0.000000 2.516159 3.499452 1.549845 3.895724 3.091215 4.659849 4.361421 5.010050 2.573491 5.412316 0.000000 3.331569 2.542443 3.473190 1.548283 4.565637 3.412468 5.101537 4.628749 4.782346 2.563380 3.852920 0.000000 3.745754 4.282973 4.976999 5.776374 2.489461 3.791563 1.493224 2.513642 5.352612 6.519338 5.374210 6.548489 0.000000 4.242404 3.775639 5.776039 4.977451 3.791423 2.489586 2.513729 1.493354 6.504637 5.116322 6.454261 5.763454 2.931211 0.000000 3.289390 3.951683 2.500240 4.087901 3.966571 5.068546 5.080017 5.548344 1.394984 4.903954 3.808866 5.125235 6.123784 6.925441 0.000000 4.249882 3.232307 4.728402 2.500105 5.287255 3.553102 5.489285 4.739912 5.167025 1.374609 6.052500 3.773960 6.864326 5.568819 4.585219 0.000000 3.417243 4.663879 2.500212 5.277241 3.457565 5.701935 4.765819 5.743764 1.394961 6.479669 2.942419 5.962728 5.422704 7.141755 2.416163 6.511932 0.000000 4.743741 3.406439 5.422924 2.500284 5.787206 3.383916 5.774058 4.724323 6.397019 1.374601 6.310168 2.874084 7.175113 5.322131 6.256096 2.416228 7.710203 0.000000 4.534102 5.250173 3.781983 5.431575 4.967421 6.256404 6.020944 6.594289 2.416077 6.103773 4.942307 6.507434 6.863163 7.893238 1.394819 5.572709 2.789936 7.475157 0.000000 5.570155 4.485627 6.119193 3.781855 6.514552 4.518097 6.537027 5.632009 6.495328 2.379992 7.442341 4.894277 7.832008 6.180459 5.797601 1.394833 7.821653 2.789912 6.634851 0.000000 4.627796 5.805266 3.782022 6.374996 4.571416 6.779808 5.758489 6.759676 2.416038 7.429213 4.310199 7.185637 6.245845 8.083842 2.789704 7.241220 1.395007 8.728494 2.415944 8.460858 0.000000 5.955461 4.612635 6.670411 3.781976 6.926395 4.386214 6.777821 5.618795 7.510777 2.379943 7.653373 4.239401 8.105664 5.959031 7.192013 2.789764 8.844135 1.394909 8.297096 2.415968 9.763977 0.000000 5.084822 6.050275 4.281203 6.439356 5.220807 7.019924 6.318870 7.137119 2.789702 7.268192 5.143981 7.418052 6.917937 8.425908 2.415805 6.838066 2.416101 8.625541 1.394739 7.937673 1.394832 9.520758 0.000000 6.303168 5.053259 6.965158 4.281286 7.242192 4.870356 7.115881 6.022565 7.552912 2.748095 8.146169 5.081323 8.404237 6.359768 6.997344 2.416000 8.892993 2.416174 7.931875 1.394847 9.645529 1.394925 9.216804 0.000000 2.199593 2.640691 1.089992 2.450510 3.416474 4.032055 4.577690 4.821542 2.051320 3.813390 2.057983 2.863911 5.891799 6.287403 2.579669 4.251831 3.249215 4.909014 3.930677 5.635416 4.399197 6.146392 4.668847 6.450484 0.000000 2.697950 2.139939 2.590393 1.094377 4.046535 3.335887 4.787768 4.505460 3.382454 2.044338 3.724046 2.121213 6.252518 5.795033 3.274114 2.510795 4.749658 3.224183 4.595161 3.863950 5.740610 4.361330 5.677274 4.614032 1.855581 0.000000 2.154826 3.401584 2.693263 4.668372 1.085092 3.874923 2.149597 3.396890 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7.227472 2.562131 6.493884 6.027331 7.905495 3.432864 7.328688 1.094780 8.515633 3.914379 8.651376 2.168637 9.684000 3.436106 9.751485 3.556570 5.376704 3.351145 7.395611 2.333070 2.346501 3.646175 7.236396 7.128278 5.802116 6.692558 6.790660 5.414293 8.179026 8.632059 8.248707 4.341808 6.512843 0.000000 5.299201 3.957550 5.945802 2.828065 6.371702 4.053819 6.449249 5.398294 7.202707 2.181988 6.517042 2.561387 7.881806 6.005014 7.280197 3.432824 8.499412 1.094952 8.594993 3.914417 9.656007 2.168995 9.705863 3.436307 5.365859 3.567297 7.376942 3.336795 7.154018 7.260914 5.842672 2.328682 2.348359 3.645126 8.140236 8.239271 8.608486 6.650238 5.394616 6.786606 6.453037 4.341908 8.732356 0.000000 5.109201 5.887796 4.724532 6.419406 5.260249 6.659318 6.134428 6.798751 3.456564 6.715999 6.030276 7.808394 6.750844 7.972576 2.174673 5.830654 3.915869 8.087569 1.096132 6.557606 3.435216 8.632734 2.181549 7.963591 4.851639 5.856292 5.010108 7.414311 6.195004 6.292884 6.893405 8.506297 8.349231 7.828328 7.835991 6.756851 6.452461 8.753020 8.524447 7.794141 2.499721 4.742109 5.010507 8.868401 0.000000 5.949062 5.125663 6.507758 4.724026 6.724117 5.242916 6.836142 6.131965 6.781052 3.456429 7.907639 6.028095 8.016068 6.718889 5.875491 2.174708 8.147380 3.915735 6.578310 1.096138 8.674092 3.435268 7.986697 2.181496 5.969830 4.840643 7.500651 4.950559 8.460156 8.589030 7.937852 6.296662 6.184047 6.891629 8.775943 7.837302 8.591913 7.802081 6.385772 6.740564 4.789318 2.499506 8.938285 5.010551 6.202899 0.000000 5.775814 7.124891 4.776388 7.818580 5.642810 8.106156 6.855667 8.027960 3.452331 8.851031 4.977527 8.638759 7.158765 9.368840 3.909132 8.592765 2.177692 10.231717 3.435644 9.748783 1.096303 11.227368 2.177246 11.017446 5.367132 7.163678 4.755017 9.125658 4.689945 4.759372 6.079401 9.402478 9.245964 8.089107 7.981063 7.661857 6.359607 9.724481 10.174397 9.450796 5.006481 7.602829 2.488148 10.636236 4.345119 9.767571 0.000000 7.132458 5.770082 7.842396 4.776116 8.109034 5.617871 8.017461 6.830903 8.856848 3.452440 8.684591 4.976226 9.357166 7.118792 8.577987 3.909352 10.241036 2.177793 9.722212 3.435768 11.224042 1.096281 10.998098 2.177343 7.196522 5.373233 9.135946 4.712982 9.299928 9.441411 8.148442 4.749961 4.694603 6.078090 9.688239 9.454312 10.171535 7.917641 6.305685 7.648654 7.581446 5.006729 10.658397 2.488650 9.726845 4.345177 12.273174 0.000000 6.226844 7.367465 5.492916 8.021061 6.133417 8.234270 7.169376 8.182346 3.954105 8.666881 6.316115 9.187422 7.491627 9.417027 3.442734 8.016741 3.447721 10.076615 2.184837 8.911688 2.181433 10.809369 1.095859 10.291418 5.870113 7.368286 5.452746 9.154235 6.216963 6.317360 7.371753 9.941227 9.763769 8.922260 8.502899 7.662856 6.842009 9.991049 10.149324 9.274435 4.347156 6.933816 4.340174 10.713116 2.517963 8.657849 2.513447 11.899672 0.000000 7.404398 6.232192 8.082274 5.492356 8.270559 6.108611 8.195977 7.152495 8.708155 3.953961 9.264455 6.313986 9.433600 7.447705 8.039124 3.442707 10.116696 3.447651 8.917297 2.184745 10.834672 2.181465 10.300934 1.095842 7.449308 5.867589 9.206903 5.392763 9.852875 10.004400 9.010920 6.315301 6.211947 7.369857 9.981455 9.300228 10.184691 8.444054 6.767833 7.644070 6.954381 4.346955 10.763826 4.340508 8.647651 2.517726 11.925930 2.513630 11.048262 0.000000 0.3055783 0.1568341 0.1323660 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= 280 280 281 281 281 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 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= 16965 LenP2D= 52598. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 292 RedAO= T EigKep= 2.80D-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= 279 279 279 280 280 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 0 1 -928.379708035857 -928.560361345383 -0.180653309525 -928.840144842768 -0.279783497385 -928.836684857198 0.003459985570 -928.842923044684 -0.006238187487 -928.843297206659 -0.000374161974 -928.843322371475 -0.000025164816 -928.843326122830 -0.000003751355 -928.843591085813 -0.000264962983 -928.843591853575 -0.000000767762 -928.843591730953 0.000000122622 -928.843591934606 -0.000000203653 -928.843591942786 -0.000000008180 -928.843591943354 -0.000000000568 -928.843591943394 -0.000000000040 -928.843591943389 0.000000000005 -928.843591943 16 9.255218413052e+02 -6.100093112565e+03 2.273550498745e+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. 4.95156401e-02 -2.44407699e-01 -2.53476057e-02 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 6 6 6 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 -0.032500541 0.039957945 -0.021416699 0.027183758 0.001838690 0.003599700 0.006364147 -0.006161652 -0.024058395 0.014454508 0.025192700 -0.006756248 0.001589765 -0.015588590 0.007447887 0.001179807 -0.008043639 -0.000163654 -0.019710368 -0.008383961 0.002138716 0.017381331 -0.001536100 0.002380194 -0.002880636 -0.011985680 -0.008597691 -0.038534424 -0.022413040 -0.035780313 -0.006798416 -0.001687008 0.002742532 -0.001882306 -0.002957549 0.001437425 -0.005114870 -0.004184876 0.001577879 0.005378429 -0.003096773 0.002242415 0.004010625 0.006726693 0.005109779 0.002761594 0.013165811 0.020973546 -0.011761180 -0.003012717 0.003443282 0.029583305 -0.003832607 0.000112717 0.004623899 0.007771312 0.006241045 -0.002590620 0.007505334 0.012524075 -0.009796183 -0.002837009 0.001201860 0.013694397 -0.002665750 -0.002865212 -0.010232879 0.005393949 0.008652720 0.012024275 0.003386170 0.006724334 0.013595401 0.003642678 0.002304749 -0.011064750 0.002769542 -0.001033670 -0.006279660 0.001043178 0.000349485 0.005775837 0.004012595 0.000781283 -0.004165594 0.004657940 -0.002739568 -0.003774447 -0.005347767 0.001216762 0.005739369 -0.001471942 -0.001784982 0.003708318 -0.004802657 -0.000822628 0.003954626 0.004634145 -0.000662624 -0.007237994 -0.001082479 -0.002490659 0.002820769 -0.008764650 0.000957311 0.002026537 -0.005297852 0.007269972 -0.004975331 0.000986743 -0.000975055 -0.001045559 -0.009262694 0.000654225 0.004668976 0.002189062 -0.000566866 -0.001712034 -0.005670414 0.006966378 0.007184684 0.000950792 -0.001819809 -0.007718356 0.000226099 0.000263735 0.001383119 -0.004296196 -0.006413968 -0.003964712 -0.002581853 -0.006711254 0.001760647 0.005293181 0.004148000 -0.000172979 0.003894568 0.005910618 -0.006707775 -0.001986792 0.000269364 0.006716687 -0.001437747 -0.001819851 -0.004520408 0.003091736 0.004227804 0.005577212 0.002059133 0.003609354 0.039957945 0.009881815 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -928.873154884161 -928.873205897562 -0.000051013401 -928.873205961759 -0.000000064197 -928.873206053788 -0.000000092029 -928.873206110654 -0.000000056865 -928.873206113376 -0.000000002722 -928.873206113509 -0.000000000133 -928.873206113491 0.000000000018 -928.873206113506 -0.000000000015 -928.873206114 9 9.237502364348e+02 -6.017205803808e+03 2.233144487060e+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 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C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|24 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 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 1.17439 0.81377 0.74698 0.46836 0.90570 0.86326 0.81175 -0.20489 -0.03021 0.12689 1.17439 0.81377 0.74711 0.46883 0.90763 0.86215 0.81056 -0.19190 -0.02866 0.12377 1.17427 0.81394 0.71621 0.67453 0.88098 0.89442 0.86381 0.10549 0.15918 0.05489 1.17427 0.81394 0.71614 0.67573 0.88225 0.89372 0.86297 0.10569 0.15481 0.05550 1.17435 0.81385 0.74797 0.57383 0.93544 0.87940 0.80957 0.26551 0.17637 0.24998 1.17435 0.81384 0.74798 0.57414 0.93636 0.87927 0.80868 0.26739 0.17129 0.24990 1.17439 0.81388 0.75242 0.42494 0.90971 0.87037 0.80182 -0.23422 -0.00265 0.14059 1.17439 0.81388 0.75242 0.42481 0.90782 0.87127 0.80266 -0.23379 -0.00247 0.13977 1.17443 0.81388 0.75423 0.42730 0.90829 0.78360 0.87714 -0.22220 0.15304 -0.12689 1.17443 0.81388 0.75402 0.42886 0.90531 0.78316 0.88097 -0.21012 0.15544 -0.14038 1.17425 0.81425 0.72344 0.71788 0.91604 0.91542 0.87314 0.23834 0.21244 0.17489 1.17425 0.81424 0.72344 0.71811 0.92007 0.91663 0.86781 0.24570 0.21448 0.16479 1.17419 0.81429 0.72257 0.73293 0.91776 0.90098 0.91205 0.23614 0.19644 0.21660 1.17419 0.81429 0.72257 0.73302 0.91402 0.90281 0.91392 0.23046 0.19929 0.21940 1.17438 0.81399 0.75111 0.55439 0.93570 0.79315 0.88549 0.19703 0.19339 0.08078 1.17438 0.81399 0.75110 0.55412 0.93373 0.79267 0.88792 0.18821 0.19295 0.08977 1.17437 0.81401 0.74899 0.57091 0.91483 0.79796 0.90461 0.05970 0.24601 0.19899 1.17437 0.81401 0.74899 0.57095 0.91281 0.79703 0.90750 0.04597 0.24592 0.21114 1.17441 0.81413 0.75454 0.52892 0.91483 0.79056 0.89942 -0.03301 0.22522 0.16804 1.17441 0.81413 0.75450 0.52926 0.91284 0.78976 0.90218 -0.03601 0.22553 0.17157 1.17441 0.81411 0.75381 0.53144 0.93549 0.78554 0.88250 0.15315 0.18885 0.02159 1.17441 0.81412 0.75375 0.53191 0.93327 0.78483 0.88545 0.14930 0.19023 0.02495 1.17442 0.81416 0.75410 0.53941 0.92116 0.79256 0.89013 0.04739 0.21504 0.10021 1.17442 0.81416 0.75409 0.53956 0.92236 0.79196 0.88950 0.06307 0.21616 0.08281 0.51589 0.27588 0.51579 0.27720 0.51692 0.23308 0.51685 0.23163 0.51154 0.26528 0.51108 0.26400 0.51245 0.25971 0.51103 0.26456 0.51149 0.26467 0.51259 0.25953 0.50836 0.26953 0.50823 0.26788 0.51221 0.25434 0.50834 0.26950 0.51219 0.25413 0.50825 0.26808 0.51663 0.25607 0.51663 0.25606 0.51858 0.23556 0.51847 0.23565 0.51648 0.26064 0.51646 0.26056 0.51656 0.26181 0.51655 0.26168 0.51613 0.25754 0.51613 0.25748 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 C C C 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 0.324005 0.312350 -0.337718 -0.335004 -0.626269 -0.623222 0.348763 0.349232 0.457174 0.454437 -0.760086 -0.759520 -0.823937 -0.823963 -0.379410 -0.378841 -0.430396 -0.428697 -0.237061 -0.238164 -0.240900 -0.242224 -0.248580 -0.248093 0.208233 0.207014 0.249999 0.251517 0.223181 0.224923 0.227843 0.224403 0.223838 0.227878 0.222116 0.223892 0.233444 0.222155 0.233680 0.223671 0.227304 0.227309 0.245865 0.245887 0.222887 0.222979 0.221626 0.221762 0.226330 0.226385 0.00000 4.16695566e-03 -2.89681393e-01 -4.42193189e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.0106 -0.7363 -0.1124 0.7449 -133.0046 -142.6655 -136.7836 0.2251 -0.0834 2.0965 4.4800 -5.1809 0.7010 0.2251 -0.0834 2.0965 3.5601 -32.7053 21.7063 2.8689 12.2142 2.1481 1.9526 21.2176 34.1472 -0.0884 -6793.4412 -3303.8572 -1674.7731 -0.2846 96.5231 -24.4212 39.0815 110.8598 76.9890 -1844.2316 -1459.5399 -790.9288 123.5227 45.0019 -15.5310 0 -928.8732061 3.772E-9 5.356E-6 3.3307626,-3.8519037,0.5211411,0.1673494,-0.0620019,1.5586627 C01 [X(C24H26)] 0.004167 -0.2896814 -0.0442193 @ 0.000023698 0.000016178 -0.000005184 -0.000022360 0.000013806 -0.000012627 -0.000003648 -0.000001739 0.000007278 -0.000005330 -0.000010053 -0.000006455 -0.000009693 -0.000002688 0.000011287 0.000005338 -0.000011337 -0.000002054 -0.000007351 0.000003980 -0.000001116 0.000006828 0.000002608 -0.000009985 -0.000004157 0.000007038 -0.000000796 0.000010424 0.000003529 -0.000000236 0.000001146 0.000002963 -0.000004340 0.000005202 0.000004023 0.000005780 -0.000000423 -0.000006778 -0.000005564 -0.000000952 -0.000003138 0.000000422 -0.000003581 -0.000002366 0.000005468 -0.000000791 0.000000805 0.000008535 0.000004198 -0.000004082 -0.000000858 -0.000011426 -0.000006194 -0.000000834 0.000010919 -0.000000013 0.000004387 -0.000007894 -0.000003756 0.000001748 -0.000002771 0.000004448 0.000009601 0.000007905 0.000003864 0.000008240 -0.000006472 -0.000003218 -0.000000741 0.000007041 -0.000005010 -0.000007745 -0.000000860 -0.000001327 -0.000002288 0.000001890 0.000001583 0.000000911 -0.000002106 0.000002658 -0.000001702 0.000003769 0.000002062 0.000001765 0.000000639 0.000003265 -0.000002066 -0.000004670 -0.000000365 0.000002614 0.000001881 -0.000001408 -0.000000906 -0.000000709 0.000000877 -0.000004578 0.000000198 0.000000745 0.000000027 -0.000002146 0.000004187 0.000001510 0.000001665 -0.000000829 0.000000442 -0.000001641 0.000001982 0.000000019 -0.000002501 -0.000000817 -0.000004102 -0.000000121 -0.000001620 -0.000004457 0.000001632 -0.000000036 -0.000002553 -0.000000799 -0.000002872 -0.000002106 0.000002604 -0.000005880 0.000002437 0.000000165 -0.000001993 -0.000000758 -0.000000500 0.000000917 0.000002644 0.000001139 0.000000238 -0.000003544 -0.000000241 -0.000001315 0.000003593 0.000002649 -0.000001308 0.000002716 -0.000000490 0.000000132 0.000000870 0.000001048 -0.000001860 -0.000001710 0.000001038 0.000000806 0.000004271 0.000000614 -0.000000693 0.000002741 288.2567999999998 AuxInfo=1/0/N:13,14,11,12,23,24,19,21,20,22,15,17,16,18,5,6,7,8,3,4,9,10,1,2/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.3,22.3,23.3,24.3/rA:50C3C3CCC3C3C3C3C3C3CCCCC3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s2;s1;s2;s5;s6s7;s3;s4;s3;s4;s7;s8;s9;s10;s9;s10;s15;s16;s17;s18;s19s21;s20s22;s3;s4;s5;s6;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2032 CBGUSER 000103494 EM64L-G09RevD.01 29-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 144 C1[X(C24H26)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 288.2567999999998 0 1 AuxInfo=1/0/N:13,14,11,12,23,24,19,21,20,22,15,17,16,18,5,6,7,8,3,4,9,10,1,2/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.3,22.3,23.3,24.3/rA:50C3C3CCC3C3C3C3C3C3CCCCC3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s2;s1;s2;s5;s6s7;s3;s4;s3;s4;s7;s8;s9;s10;s9;s10;s15;s16;s17;s18;s19s21;s20s22;s3;s4;s5;s6;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-28278.inp" -scrdir="/scratch/" chk=000103494-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 000103494 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 12 12 12 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 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 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| 0.000170 0.000035 0.088262 0.024559 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -6.394875e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1931.4378960407 292 680 292 85 85 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 0 288.2567999999998 AuxInfo=1/0/N:13,14,11,12,23,24,19,21,20,22,15,17,16,18,5,6,7,8,3,4,9,10,1,2/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.3,22.3,23.3,24.3/rA:50C3C3CCC3C3C3C3C3C3CCCCC3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s2;s1;s2;s5;s6s7;s3;s4;s3;s4;s7;s8;s9;s10;s9;s10;s15;s16;s17;s18;s19s21;s20s22;s3;s4;s5;s6;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.425374 0.000000 1.541363 2.617803 0.000000 2.616135 1.541603 3.137679 0.000000 1.420412 2.443618 2.536923 3.891136 0.000000 2.443374 1.420491 3.891932 2.539420 2.773301 0.000000 2.489895 2.870185 3.865486 4.408662 1.410064 2.439672 0.000000 2.869635 2.489996 4.407788 3.867398 2.439236 1.410206 1.428787 0.000000 2.552292 3.764669 1.539814 4.385314 3.005917 4.892926 4.362087 5.167777 0.000000 3.782950 2.555343 4.415569 1.539406 4.908356 2.992803 5.173283 4.354814 5.416269 0.000000 2.534008 3.514949 1.551085 3.929432 3.223066 4.682736 4.488176 5.107555 2.590127 5.404792 0.000000 3.486612 2.532916 3.882197 1.551327 4.662268 3.249911 5.106807 4.507815 5.344180 2.589031 4.095450 0.000000 3.871772 4.388239 5.071856 5.926860 2.543773 3.842891 1.518262 2.565009 5.294009 6.646893 5.545447 6.571375 0.000000 4.387742 3.871928 5.926037 5.074694 3.842413 2.543913 2.564764 1.518311 6.640915 5.278105 6.572350 5.579368 2.990962 0.000000 3.093746 4.026028 2.550072 4.596846 3.502517 5.019123 4.636777 5.306374 1.421535 5.256495 3.901924 5.848898 5.543741 6.683759 0.000000 4.073771 3.108457 4.663220 2.549533 5.065212 3.489417 5.332609 4.635869 5.289656 1.421433 5.934402 3.900190 6.712159 5.524128 4.760664 0.000000 3.690967 5.019952 2.600818 5.678482 3.822010 6.093868 5.172482 6.193504 1.416790 6.796950 2.951804 6.465234 5.825451 7.630949 2.433062 6.703947 0.000000 5.023839 3.685269 5.694605 2.600451 6.094018 3.802316 6.184980 5.154470 6.790702 1.416771 6.509861 2.950753 7.621919 5.799493 6.671265 2.433037 8.151214 0.000000 4.423132 5.384052 3.861315 5.973471 4.578098 6.269608 5.616068 6.402610 2.467941 6.511875 5.056297 7.252446 6.265771 7.684471 1.409797 5.834863 2.819764 7.918976 0.000000 5.433247 4.435390 6.046121 3.860734 6.319143 4.558999 6.428775 5.609330 6.558387 2.467760 7.340467 5.054193 7.714338 6.234037 5.856696 1.409799 7.962955 2.819623 6.760824 0.000000 4.862025 6.166708 3.897159 6.846207 4.827112 7.162693 6.066326 7.157278 2.464705 7.814638 4.365959 7.763375 6.514926 8.523265 2.812854 7.511072 1.415696 9.206962 2.439631 8.656088 0.000000 6.181896 4.859799 6.878506 3.896861 7.174229 4.803404 7.154312 6.045951 7.825824 2.464817 7.818355 4.364485 8.520330 6.478513 7.499083 2.813096 9.221231 1.415746 8.630576 2.439742 10.169714 0.000000 5.167073 6.326806 4.397149 6.978637 5.153829 7.246335 6.268266 7.256643 2.858247 7.700033 5.250337 8.111519 6.723063 8.554843 2.448219 7.146550 2.453186 9.112621 1.415879 8.135647 1.411663 9.914335 0.000000 6.360902 5.172115 7.034807 4.396610 7.278995 5.130257 7.268755 6.252782 7.733707 2.858119 8.185677 5.248306 8.569219 6.684033 7.158049 2.448279 9.146039 2.453061 8.129866 1.415892 9.931945 1.411688 9.486600 0.000000 2.161567 2.702104 1.107954 2.646352 3.429864 4.108638 4.641417 4.917070 2.129972 3.833978 2.147036 3.451540 5.965149 6.411036 2.780165 4.106018 3.264055 5.085578 4.108816 5.465901 4.454455 6.240904 4.799322 6.407341 0.000000 2.705920 2.161462 2.659408 1.108035 4.110637 3.426823 4.916851 4.638818 3.797671 2.128620 3.532074 2.147983 6.410599 5.961285 4.020911 2.769561 5.065491 3.269932 5.371420 4.100740 6.197785 4.457955 6.333106 4.796993 1.852343 0.000000 2.167105 3.431921 2.688735 4.777055 1.097540 3.870659 2.161743 3.430788 2.707071 5.854315 3.182669 5.519600 2.728795 4.722667 3.358595 5.926047 3.146303 7.093697 4.216301 7.182591 4.046992 8.177381 4.515422 8.223999 3.736850 4.812403 0.000000 3.431640 2.167085 4.778478 2.692732 3.870478 1.097361 3.430965 2.161748 5.833318 2.676298 5.549902 3.232682 4.722921 2.728900 5.867726 3.312283 7.088878 3.113905 7.116501 4.158358 8.157157 4.000472 8.177243 4.457748 4.809460 3.731995 4.967691 0.000000 3.507207 4.453515 2.210106 4.629816 4.229025 5.704140 5.544954 6.188163 2.851311 6.060905 1.105679 4.745367 6.553606 7.664908 4.183342 6.547473 2.881077 7.152033 5.185951 7.928302 4.206918 8.440310 5.202231 8.787649 2.493558 4.022297 4.048981 6.530123 0.000000 2.817460 3.967289 2.207624 4.692492 2.993257 4.912369 4.188599 5.035764 2.898879 6.159216 1.105363 4.838032 4.998281 6.429855 4.255010 6.653528 2.932796 7.267434 5.278072 8.056494 4.282900 8.575707 5.295952 8.929057 3.085165 4.453189 2.698698 5.870287 1.794861 0.000000 2.747568 3.324611 2.190899 3.532439 3.575526 4.426524 4.636725 5.000543 3.534427 5.067953 1.104070 3.313306 5.793594 6.395906 4.725293 5.843530 4.047184 5.999034 5.979776 7.240845 5.461814 7.371411 6.293937 7.917030 2.483547 3.307361 3.798672 5.160356 1.787743 1.779423 0.000000 3.936363 2.815614 4.642889 2.206930 4.888685 3.027986 5.034977 4.214266 6.104314 2.897170 4.816474 1.105295 6.429079 5.044210 6.580109 4.258037 7.226712 2.923863 7.982774 5.279853 8.528772 4.276221 8.867385 5.293830 4.377963 3.085279 5.835803 2.769701 5.581351 5.391674 3.981817 0.000000 4.429729 3.506460 4.587766 2.210275 5.686236 4.251136 6.187626 5.562140 5.998248 2.849076 4.756692 1.105692 7.664098 6.584566 6.456752 4.174644 7.103105 2.886051 7.830741 5.177277 8.377605 4.208260 8.703374 5.197557 3.945441 2.494683 6.502589 4.091473 5.213054 5.612837 3.959412 1.794857 0.000000 3.280879 2.745502 3.455285 2.191271 4.394128 3.608781 4.997556 4.662126 4.986310 3.533591 3.286232 1.103940 6.392366 5.837956 5.742031 4.723934 5.936288 4.046206 7.139853 5.978049 7.301507 5.460475 7.829584 6.292179 3.185932 2.485126 5.112126 3.857085 3.915802 3.991879 2.361490 1.779361 1.788141 0.000000 4.532603 4.914136 5.758453 6.410933 3.285655 4.219141 2.184419 2.894876 6.152438 7.167229 6.012215 6.832582 1.107513 2.962893 6.532999 7.394968 6.632263 8.006996 7.312829 8.389466 7.400309 8.935564 7.721060 9.116585 6.650480 6.996639 3.510904 4.987257 7.045152 5.391411 6.113673 6.546080 7.937816 6.608469 0.000000 4.530380 4.909318 5.775127 6.422764 3.283377 4.211891 2.184122 2.890649 5.856545 6.922157 6.440594 7.212144 1.107420 2.954691 5.852678 6.806086 6.449482 7.873120 6.439125 7.652059 6.984762 8.617161 6.986566 8.524040 6.597223 6.932335 3.499446 4.970840 7.434263 5.966604 6.721740 7.037023 8.284152 7.167088 1.775461 0.000000 4.061116 4.884463 4.988233 6.411561 2.640976 4.615425 2.175798 3.480663 4.974741 7.258531 5.360219 7.074898 1.103201 4.082477 5.315924 7.275908 5.256066 8.337806 5.885844 8.343230 5.828671 9.287362 6.128729 9.297290 5.985377 6.735386 2.358655 5.587928 6.273394 4.674601 5.778541 7.064586 8.152582 6.767758 1.786733 1.785442 0.000000 4.913493 4.532153 6.410233 5.759185 4.219600 3.284763 2.896083 2.184583 7.171785 6.129390 6.830015 6.040037 2.965790 1.107546 7.379892 6.511587 8.032107 6.590413 8.379121 7.275823 8.960361 7.345672 9.125293 7.668937 6.991611 6.651677 4.988345 3.509234 7.935397 6.548367 6.600345 5.422983 7.070389 6.158209 2.527850 3.083552 4.032102 0.000000 4.884087 4.061321 6.411635 4.991987 4.615038 2.641107 3.480520 2.175864 7.245985 4.948869 7.087810 5.408527 4.082473 1.103190 7.232974 5.274140 8.341560 5.222541 8.294436 5.824613 9.280130 5.775424 9.266641 6.062829 6.734699 5.980468 5.587736 2.358832 8.164539 7.079758 6.789051 4.741867 6.317891 5.840585 4.030123 4.017398 5.165418 1.786772 0.000000 4.908908 4.531180 6.420965 5.779708 4.210336 3.284628 2.888697 2.184050 6.912088 5.852621 7.204692 6.474509 2.951427 1.107424 6.778480 5.844730 7.871412 6.442468 7.619876 6.424709 8.608263 6.972364 8.501536 6.970589 6.939529 6.588736 4.969038 3.501471 8.277070 7.021644 7.164594 6.017200 7.466328 6.759160 3.076296 2.505609 4.015137 1.775396 1.785502 0.000000 2.890141 3.460079 2.724309 3.925428 3.491559 4.386692 4.440922 4.832664 2.176637 4.348022 4.248088 5.327111 5.505563 6.157779 1.097439 3.715585 3.427198 5.755711 2.173649 4.770816 3.910209 6.492871 3.440678 6.087955 2.709230 3.439848 3.676240 5.113375 4.665756 4.722581 4.871002 6.010419 5.911097 5.419551 6.488239 5.719201 5.493483 6.966300 6.580018 6.252917 0.000000 3.527440 2.914543 4.011546 2.724220 4.453641 3.487574 4.875809 4.452051 4.396005 2.176819 5.426389 4.246916 6.203635 5.496608 3.725185 1.097449 5.799560 3.427342 4.751702 2.173489 6.512194 3.910476 6.080428 3.440637 3.547444 2.691645 5.194620 3.638928 6.013965 6.096412 5.532397 4.729496 4.654543 4.870205 7.002358 6.291304 6.642892 6.484171 5.460985 5.715558 2.654592 0.000000 3.970600 5.313863 2.828662 5.953160 4.071514 6.390758 5.419773 6.470967 2.182109 7.227471 2.562131 6.493884 6.027331 7.905494 3.432863 7.328687 1.094780 8.515633 3.914378 8.651375 2.168636 9.684000 3.436106 9.751485 3.556570 5.376703 3.351145 7.395611 2.333070 2.346502 3.646175 7.236396 7.128278 5.802115 6.692558 6.790660 5.414293 8.179026 8.632059 8.248707 4.341807 6.512843 0.000000 5.299201 3.957550 5.945802 2.828064 6.371702 4.053818 6.449248 5.398294 7.202706 2.181988 6.517042 2.561387 7.881806 6.005014 7.280197 3.432824 8.499412 1.094952 8.594993 3.914417 9.656006 2.168994 9.705863 3.436307 5.365859 3.567297 7.376942 3.336795 7.154018 7.260914 5.842672 2.328682 2.348359 3.645126 8.140236 8.239271 8.608486 6.650238 5.394616 6.786606 6.453037 4.341907 8.732356 0.000000 5.109201 5.887796 4.724532 6.419406 5.260248 6.659318 6.134428 6.798751 3.456564 6.715999 6.030275 7.808394 6.750843 7.972575 2.174673 5.830654 3.915869 8.087569 1.096132 6.557606 3.435216 8.632734 2.181549 7.963591 4.851639 5.856292 5.010108 7.414312 6.195004 6.292884 6.893404 8.506297 8.349231 7.828328 7.835991 6.756851 6.452461 8.753020 8.524447 7.794141 2.499721 4.742109 5.010506 8.868401 0.000000 5.949062 5.125663 6.507758 4.724026 6.724116 5.242916 6.836141 6.131965 6.781051 3.456428 7.907638 6.028094 8.016068 6.718888 5.875491 2.174708 8.147380 3.915735 6.578310 1.096137 8.674091 3.435268 7.986697 2.181496 5.969830 4.840643 7.500650 4.950559 8.460155 8.589029 7.937851 6.296661 6.184047 6.891628 8.775943 7.837302 8.591913 7.802080 6.385771 6.740563 4.789317 2.499506 8.938284 5.010550 6.202899 0.000000 5.775814 7.124891 4.776388 7.818580 5.642809 8.106156 6.855667 8.027960 3.452331 8.851031 4.977527 8.638759 7.158765 9.368839 3.909132 8.592764 2.177691 10.231717 3.435643 9.748783 1.096303 11.227368 2.177246 11.017446 5.367133 7.163677 4.755017 9.125658 4.689945 4.759373 6.079401 9.402478 9.245964 8.089107 7.981063 7.661857 6.359607 9.724480 10.174397 9.450796 5.006481 7.602829 2.488148 10.636236 4.345118 9.767571 0.000000 7.132458 5.770082 7.842397 4.776116 8.109034 5.617870 8.017461 6.830903 8.856848 3.452440 8.684592 4.976225 9.357167 7.118792 8.577987 3.909352 10.241037 2.177793 9.722213 3.435768 11.224042 1.096281 10.998098 2.177343 7.196522 5.373233 9.135946 4.712982 9.299929 9.441411 8.148442 4.749961 4.694603 6.078090 9.688240 9.454313 10.171535 7.917641 6.305685 7.648653 7.581446 5.006729 10.658397 2.488650 9.726846 4.345177 12.273175 0.000000 6.226845 7.367465 5.492917 8.021062 6.133417 8.234270 7.169376 8.182347 3.954105 8.666881 6.316114 9.187423 7.491626 9.417027 3.442734 8.016742 3.447721 10.076616 2.184837 8.911688 2.181434 10.809369 1.095859 10.291419 5.870114 7.368286 5.452746 9.154235 6.216963 6.317361 7.371753 9.941227 9.763769 8.922260 8.502899 7.662857 6.842009 9.991049 10.149324 9.274435 4.347157 6.933816 4.340174 10.713117 2.517963 8.657849 2.513446 11.899673 0.000000 7.404398 6.232191 8.082274 5.492356 8.270558 6.108610 8.195976 7.152495 8.708154 3.953961 9.264455 6.313985 9.433599 7.447704 8.039124 3.442707 10.116696 3.447651 8.917297 2.184745 10.834671 2.181465 10.300934 1.095842 7.449308 5.867589 9.206903 5.392763 9.852876 10.004400 9.010920 6.315300 6.211946 7.369857 9.981455 9.300228 10.184691 8.444053 6.767832 7.644069 6.954380 4.346954 10.763825 4.340508 8.647651 2.517726 11.925929 2.513630 11.048262 0.000000 C24H26 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 0 288.2567999999998 AuxInfo=1/0/N:13,14,11,12,23,24,19,21,20,22,15,17,16,18,5,6,7,8,3,4,9,10,1,2/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.3,22.3,23.3,24.3/rA:50C3C3CCC3C3C3C3C3C3CCCCC3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s2;s1;s2;s5;s6s7;s3;s4;s3;s4;s7;s8;s9;s10;s9;s10;s15;s16;s17;s18;s19s21;s20s22;s3;s4;s5;s6;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3055784 0.1568341 0.1323660 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= 16965 LenP2D= 52598. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 292 RedAO= T EigKep= 2.80D-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= 279 279 280 280 280 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 0 1 -928.453197453224 -928.616294062890 -0.163096609666 -928.869803814103 -0.253509751213 -928.865465515705 0.004338298398 -928.872527746542 -0.007062230836 -928.872917664265 -0.000389917723 -928.872934110980 -0.000016446715 -928.872937432190 -0.000003321210 -928.873217312114 -0.000279879924 -928.873218081478 -0.000000769364 -928.873217941559 0.000000139919 -928.873218192780 -0.000000251221 -928.873218199990 -0.000000007210 -928.873218200390 -0.000000000401 -928.873218200461 -0.000000000071 -928.873218200439 0.000000000022 -928.873218200 16 9.237501346972e+02 -6.017205483168e+03 2.233144234230e+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=927591367. 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= 1.76D-14 1.00D-09 XBig12= 5.58D+02 8.43D+00. 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= 1.76D-14 1.00D-09 XBig12= 1.08D+02 1.60D+00. CalDSu: requested number of processors reduced to: 2 ShMem 1 Linda. 150 vectors produced by pass 2 Test12= 1.76D-14 1.00D-09 XBig12= 3.51D-01 5.02D-02. CalDSu: requested number of processors reduced to: 2 ShMem 1 Linda. 150 vectors produced by pass 3 Test12= 1.76D-14 1.00D-09 XBig12= 6.28D-05 5.21D-04. CalDSu: requested number of processors reduced to: 2 ShMem 1 Linda. 84 vectors produced by pass 4 Test12= 1.76D-14 1.00D-09 XBig12= 1.84D-08 1.16D-05. 4 vectors produced by pass 5 Test12= 1.76D-14 1.00D-09 XBig12= 1.67D-12 6.99D-08. 3 vectors produced by pass 6 Test12= 1.76D-14 1.00D-09 XBig12= 9.33D-16 2.72D-09. InvSVY: IOpt=1 It= 1 EMax= 2.49D-14 Solved reduced A of dimension 691 with 153 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 254.59 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 321.653 0.124 217.964 -0.426 8.389 224.140 572.280 0.197 360.265 -1.164 24.646 430.907 (Enter /mnt/data/applications/G09/g09/l716.exe) PT7023S 2017-07-29T20:10:17.000+02:00 -9.91122 -9.91112 -9.91047 -9.91036 -9.90287 -9.90259 -9.90212 -9.90194 -9.90184 -9.90181 -9.90165 -9.90155 -9.90107 -9.90087 -9.89890 -9.89873 -9.89825 -9.89802 -9.88726 -9.88716 -9.88556 -9.88553 -9.88551 -9.88547 -0.78534 -0.77445 -0.76736 -0.73020 -0.72068 -0.68004 -0.67689 -0.66916 -0.66894 -0.65155 -0.65012 -0.61879 -0.60416 -0.57186 -0.56358 -0.53994 -0.53725 -0.53284 -0.52048 -0.50627 -0.48432 -0.46009 -0.45344 -0.43829 -0.42093 -0.40406 -0.39989 -0.39664 -0.39434 -0.38748 -0.38198 -0.37866 -0.37707 -0.37475 -0.36981 -0.36792 -0.36429 -0.34716 -0.34207 -0.33447 -0.33403 -0.33373 -0.32825 -0.32494 -0.32035 -0.31887 -0.30998 -0.30829 -0.29955 -0.29628 -0.29057 -0.28202 -0.28019 -0.27523 -0.27446 -0.22182 -0.22144 -0.21739 -0.21677 -0.19945 -0.19437 -0.03684 -0.03500 -0.03288 -0.03212 -0.02367 -0.01630 0.07219 0.07668 0.08305 0.08922 0.09384 0.09933 0.10082 0.10273 0.11076 0.11385 0.12175 0.12669 0.13250 0.13498 0.13793 0.14152 0.14311 0.14559 0.14667 0.15204 0.15349 0.15543 0.15908 0.16287 0.16655 0.17297 0.17312 0.17943 0.18575 0.18704 0.20236 0.20556 0.20912 0.21441 0.21547 0.21959 0.22166 0.22674 0.23027 0.23640 0.24321 0.24331 0.25165 0.25938 0.26597 0.26833 0.27848 0.28202 0.28624 0.29196 0.29469 0.29788 0.30219 0.30582 0.31360 0.31703 0.31894 0.32043 0.33379 0.33776 0.34327 0.34554 0.35549 0.35947 0.36031 0.36701 0.37352 0.37384 0.37863 0.37918 0.38416 0.38734 0.38964 0.39312 0.39935 0.40268 0.40730 0.40836 0.41156 0.41901 0.42238 0.42426 0.42498 0.43466 0.43876 0.44181 0.45263 0.45636 0.46324 0.46812 0.47430 0.48021 0.49328 0.49382 0.49897 0.50522 0.50805 0.51306 0.52170 0.52342 0.52809 0.55090 0.55615 0.55832 0.58131 0.59986 0.61889 0.62267 0.62711 0.63150 0.63191 0.63228 0.64719 0.65314 0.66451 0.66802 0.68421 0.71071 0.72508 0.73031 0.74194 0.76622 0.78786 0.79735 0.81747 0.85500 0.86305 0.88453 0.89168 0.90148 0.90449 0.92246 0.92745 0.93946 0.94352 0.96334 0.96634 0.98587 1.00940 1.01188 1.01887 1.02868 1.04491 1.04678 1.07920 1.08231 1.08610 1.09073 1.09406 1.09562 1.10328 1.11579 1.11794 1.12548 1.13461 1.14806 1.16222 1.18211 1.19839 1.20155 1.20911 1.21937 1.22942 1.24442 1.28620 1.28916 1.30855 1.32623 1.38128 1.40041 1.40480 1.43397 1.46535 1.49324 1.50033 1.52985 1.54513 22.29676 22.37538 22.39572 22.55381 22.55995 22.56807 22.57366 22.57511 22.61373 22.64031 22.64194 22.64594 22.65401 22.65934 22.67440 22.68476 22.70083 22.71771 22.74672 22.75282 22.77805 22.78108 22.79729 22.85325 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 C C C 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 0.324147 0.312179 -0.337750 -0.334854 -0.626355 -0.623087 0.348646 0.349289 0.457173 0.454455 -0.760069 -0.759568 -0.823884 -0.823993 -0.379520 -0.378828 -0.430448 -0.428809 -0.237046 -0.238190 -0.240870 -0.242171 -0.248585 -0.248080 0.208210 0.206992 0.249963 0.251531 0.223177 0.224922 0.227821 0.224416 0.223845 0.227873 0.222115 0.223888 0.233443 0.222160 0.233686 0.223671 0.227377 0.227359 0.245877 0.245912 0.222902 0.222991 0.221621 0.221742 0.226341 0.226382 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 C C C C C C C C C C C C C C C C C C C C C C C C 0.324147 0.312179 -0.129540 -0.127862 -0.376392 -0.371556 0.348646 0.349289 0.457173 0.454455 -0.084150 -0.083434 -0.144438 -0.144475 -0.152143 -0.151469 -0.184570 -0.182897 -0.014144 -0.015199 -0.019249 -0.020429 -0.022244 -0.021698 0.00000 2.52120703e-03 2.86348269e-01 6.19429986e-02 3.21653245e+02 1.23636640e-01 2.17963788e+02 -4.26228203e-01 8.38915692e+00 2.24140348e+02 -3.4993 -1.8100 -0.0006 -0.0004 -0.0001 6.1285 7.0653 22.7040 24.1771 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 5.9457 22.6858 24.1286 29.1203 46.5156 55.1511 85.9130 118.4165 119.9447 145.4233 160.6296 161.4764 183.1096 212.0408 229.3930 246.3311 261.0848 279.1279 287.9017 290.3725 295.8290 302.3509 370.1155 402.7499 403.7416 417.4145 428.0544 433.0312 463.7658 476.7904 523.1189 541.1256 560.6646 606.2518 616.2611 618.1741 625.6668 640.6446 654.8866 702.9953 703.8173 715.1520 757.1307 758.1193 766.7437 786.6793 799.3219 811.1316 851.9903 855.1380 902.1385 907.0619 918.1075 920.8796 949.7904 975.9418 977.6866 981.9946 989.8750 991.4490 993.2670 993.8704 1005.2517 1006.4157 1013.8804 1028.4220 1030.5144 1033.4763 1046.1227 1053.0333 1059.9411 1060.4655 1070.9115 1101.3002 1105.0558 1159.7994 1171.1292 1171.8001 1190.9874 1193.2806 1194.8964 1200.8446 1214.0050 1256.9867 1270.0435 1280.7284 1287.1022 1296.1825 1298.9385 1325.1716 1330.8142 1371.6265 1379.0366 1379.4699 1382.5368 1388.2325 1389.6850 1394.4181 1404.1905 1434.9398 1435.7160 1461.6572 1470.8779 1473.3535 1473.3617 1476.7476 1477.3044 1479.0561 1483.4577 1484.1578 1485.2197 1501.0254 1567.3053 1590.1739 1591.1700 1612.7603 1614.0929 1626.5538 2965.8248 2966.7131 2979.3036 2980.2629 2980.7132 2981.0936 3035.7632 3038.9787 3074.6871 3076.0089 3080.5645 3081.2292 3083.0694 3084.9413 3109.6302 3112.2212 3112.8406 3113.7842 3122.4914 3122.7634 3135.6769 3136.1017 3147.4128 3148.6960 3161.8030 3162.2715 3.6590 4.9630 3.6689 3.7621 3.9888 4.2202 3.5555 1.0777 2.6971 1.8584 1.7091 2.7268 3.6888 3.3023 3.1294 3.7417 2.9710 1.1954 2.0844 1.8078 1.5574 3.1585 3.9823 2.8063 2.8168 3.9041 3.2040 3.2593 3.5712 3.7977 3.5706 3.8009 3.5551 4.0374 6.2187 6.2504 3.9850 3.9435 2.8363 1.6820 2.2621 2.4862 3.0201 2.7525 2.2157 2.6127 2.6609 2.4670 1.2529 1.2483 1.3726 1.4370 1.3881 1.3933 2.0625 1.3936 1.4061 1.6852 5.3229 3.9829 1.3420 1.3834 1.8125 1.7632 2.1446 1.9999 1.4878 1.8589 1.8432 1.6500 2.3951 1.9385 1.9405 1.7181 1.7824 3.0610 1.0513 1.0504 1.1212 1.1510 1.8891 2.3180 1.9683 1.7213 4.4997 1.4788 1.5023 1.4998 1.4014 1.3082 1.2950 3.9374 3.0545 2.3531 5.7908 1.5333 1.2638 1.5866 1.2449 2.2099 2.2038 1.0477 1.1201 1.0602 1.0623 1.1158 1.0754 1.1177 2.1004 1.4404 1.4485 2.6250 6.4910 6.0365 6.0034 6.0835 6.0146 6.4688 1.0375 1.0383 1.0381 1.0609 1.0783 1.0548 1.0969 1.0967 1.1003 1.1000 1.0984 1.0990 1.0977 1.0982 1.0900 1.0864 1.0864 1.0906 1.0861 1.0862 1.0921 1.0923 1.0948 1.0946 1.1012 1.1010 0.0001 0.0015 0.0013 0.0019 0.0051 0.0076 0.0155 0.0089 0.0229 0.0232 0.0260 0.0419 0.0729 0.0875 0.0970 0.1338 0.1193 0.0549 0.1018 0.0898 0.0803 0.1701 0.3214 0.2682 0.2705 0.4008 0.3459 0.3601 0.4525 0.5087 0.5757 0.6557 0.6584 0.8743 1.3915 1.4073 0.9191 0.9536 0.7167 0.4898 0.6602 0.7492 1.0200 0.9321 0.7675 0.9526 1.0017 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24.1997 1.1535 15.5634 0.0029 0.2023 15.4159 0.2648 0.0015 7.5789 6.1607 0.0245 0.4148 11.5892 0.0364 1.4854 0.0338 0.1350 15.4651 6.6354 34.2207 2.3150 17.2266 0.2959 3.1517 0.0103 0.8775 8.7186 13.5041 4.2397 1.0045 7.2481 0.0599 0.0177 1.0289 0.5208 2.9932 1.1472 4.1543 1.0096 3.6018 1.7371 7.3648 6.1454 4.0340 0.0417 1.6237 1.7695 4.5485 0.6569 1.1274 5.3219 22.0547 8.5263 15.2015 9.1394 7.7065 0.1542 30.9856 17.7242 12.0687 0.6947 4.5761 27.7476 20.1049 17.5314 1.8067 44.2182 0.1440 1.7968 0.2332 15.1569 8.8541 0.0562 80.0772 12.0733 20.1496 29.8672 10.2728 31.1755 42.7809 0.0373 14.5423 66.6871 21.3613 70.3125 5.0262 14.1510 28.5392 23.7382 5.0058 1.5648 0.0483 0.1677 31.9391 20.4012 34.6677 39.7943 28.7843 20.5048 6 6 6 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 -0.03 0.04 0.03 -0.03 -0.03 -0.03 -0.06 0.08 0.06 -0.06 -0.08 -0.07 0.00 0.06 0.05 0.00 -0.06 -0.06 0.03 0.03 0.02 0.03 -0.03 -0.03 -0.02 0.03 0.04 -0.02 -0.03 -0.05 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