Gaussian 09 GINC-KIMIK2078 CBGUSER 000268007 EM64L-G09RevD.01 1-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 344.29859999999974 0 1 AuxInfo=1/0/N:26,8,9,21,22,17,18,23,24,19,20,7,6,25,14,13,15,10,11,16,12,5,2,4,3,1/E:(2,3)(8,9)(10,11)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1/rA:48SOO1O1CCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s6;s5;s5;s7;s2s10;s3s10;s11;s1;s13;s4s12s15;s13;s15;s14;s14;s17;s18s21;s19;s20;s23s24;s25;s6;s6;s7;s7;s8;s8;s8;s9;s9;s9;s17;s18;s19;s20;s2;s21;s22;s23;s24;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-20798.inp" -scrdir="/scratch/" chk=000268007.chk nprocshared=4 mem=3GB #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 000268007 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 32 16 16 16 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 31.9720718 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 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 2 2 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 12 13 13 14 14 15 15 17 17 18 18 19 19 20 20 21 21 22 23 23 24 24 25 26 26 26 5 14 11 41 12 16 6 8 9 7 27 28 10 29 30 31 32 33 34 35 36 11 12 13 16 15 17 19 20 16 18 21 37 22 38 23 39 24 40 22 42 43 25 44 25 45 26 46 47 48 1.8665 1.7616 1.3628 1.0164 1.2055 1.2038 1.5338 1.5178 1.5231 1.5365 1.1117 1.1157 1.5003 1.1158 1.1105 1.0987 1.0989 1.0981 1.0971 1.0982 1.1002 1.3591 1.4748 1.4785 1.5586 1.4113 1.3984 1.3965 1.3966 1.4931 1.3969 1.4011 1.0931 1.4013 1.0939 1.3969 1.0909 1.3968 1.0904 1.3961 1.0909 1.0904 1.4053 1.0881 1.4055 1.0881 1.4934 1.1008 1.0985 1.0985 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 11 1 1 1 6 6 8 5 5 5 7 7 27 6 6 6 10 10 29 5 5 5 31 31 32 5 5 5 34 34 35 7 7 11 2 2 10 3 3 10 11 11 15 1 1 19 13 13 16 4 4 12 13 13 21 15 15 22 14 14 23 14 14 24 17 17 22 18 18 21 19 19 25 20 20 25 23 23 24 25 25 25 46 46 47 1 2 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 11 11 11 12 12 12 13 13 13 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 25 25 25 26 26 26 26 26 26 14 41 6 8 9 8 9 9 7 27 28 27 28 28 10 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 11 12 12 10 13 13 10 16 16 15 17 17 19 20 20 16 18 18 12 15 15 21 37 37 22 38 38 23 39 39 24 40 40 22 42 42 21 43 43 25 44 44 25 45 45 24 26 26 46 47 48 47 48 48 105.416 111.9556 106.928 108.9294 102.1579 112.6471 113.1229 112.2963 113.1176 109.8651 109.7132 108.8762 109.6125 105.3622 112.6237 109.6157 110.7047 109.3505 109.4631 104.7823 112.3586 111.4806 112.0971 106.5851 107.1905 106.773 112.7481 111.1565 111.9942 107.3475 106.8876 106.3476 124.1331 116.2008 119.5733 124.5317 111.4669 123.9912 124.9107 119.9082 115.181 118.3451 121.6883 119.9664 119.458 119.3468 121.0967 119.883 119.9404 120.1585 121.2807 123.486 115.2247 119.7379 119.6923 120.5697 119.8969 119.512 120.5906 119.3895 120.6031 120.0068 119.3889 120.6841 119.9255 120.3311 119.6048 120.0639 120.1229 119.7266 120.15 120.263 119.7522 119.9845 120.2627 119.7716 119.9655 119.5951 120.2257 120.1742 110.6504 112.3928 112.4441 107.0979 107.0851 106.8543 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 14 14 14 5 5 41 41 1 1 1 8 8 8 9 9 9 1 1 1 6 6 6 9 9 9 1 1 1 6 6 6 8 8 8 5 5 5 27 27 27 28 28 28 6 6 29 29 30 30 7 7 12 12 7 7 11 11 2 2 10 10 3 3 10 10 11 11 17 17 11 11 15 15 1 1 20 20 1 1 19 19 13 13 18 18 13 13 16 16 13 13 37 37 15 15 38 38 14 14 39 39 14 14 40 40 17 17 42 42 19 19 44 44 20 20 45 45 23 23 23 24 24 24 1 1 1 1 1 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 24 24 24 24 25 25 25 25 25 25 5 5 5 14 14 11 11 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 16 16 16 16 15 15 15 15 17 17 17 17 19 19 19 19 20 20 20 20 16 16 16 16 18 18 18 18 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 22 22 22 22 25 25 25 25 25 25 25 25 26 26 26 26 26 26 6 8 9 19 20 10 13 7 27 28 7 27 28 7 27 28 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 10 29 30 10 29 30 10 29 30 11 12 11 12 11 12 2 13 2 13 3 16 3 16 15 17 15 17 4 15 4 15 16 18 16 18 21 37 21 37 23 39 23 39 24 40 24 40 4 12 4 12 22 38 22 38 22 42 22 42 21 43 21 43 25 44 25 44 25 45 25 45 18 43 18 43 24 26 24 26 23 26 23 26 46 47 48 46 47 48 64.1631 -57.8346 -176.793 89.5158 -94.0514 -7.5016 173.6222 173.4377 -64.6737 50.71 -66.9313 54.9573 170.341 61.7629 -176.3485 -60.9648 65.9984 -174.4277 -54.7926 -52.4666 67.1073 -173.2576 178.4106 -62.0155 57.6196 -61.4147 177.9913 59.1877 53.1589 -67.4351 173.7613 -177.9663 61.4397 -57.3639 178.222 56.2429 -58.8617 55.7805 -66.1986 178.6968 -58.9943 179.0266 63.922 58.5651 -124.9646 -179.306 -2.8357 -65.0433 111.427 -3.3254 175.4131 -179.6839 -0.9453 -17.8692 162.2362 158.7717 -21.1229 -169.3195 10.8501 11.7971 -168.0333 33.6399 -147.3907 -146.4598 32.5097 1.6371 -179.912 -178.5294 -0.0786 179.3924 -0.7141 -0.4354 179.4582 177.0451 -2.6565 0.6764 -179.0252 -177.0093 2.5428 -0.6366 178.9155 155.9065 -23.0375 -22.5408 158.5152 0.6201 -179.1295 179.0666 -0.683 0.4095 -179.712 -179.4831 0.3955 -0.6486 179.5797 179.0983 -0.6735 -0.1903 -179.9944 179.513 -0.2911 0.1108 179.958 -179.4448 0.4024 0.1327 179.9034 -179.7453 0.0255 -0.3223 -179.5056 179.4813 0.298 0.3625 179.5462 -179.4845 -0.3007 90.4387 -149.8848 -29.2556 -88.7398 30.9366 151.5658 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 269 288 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 48 48 48 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= 20910 NPrTT= 105722 LenC2= 17297 LenP2D= 52505. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 312 RedAO= T EigKep= 2.89D-04 NBF= 312 NBsUse= 312 1.00D-06 EigRej= -1.00D+00 NBFU= 312 Using GEDIIS/GDIIS optimizer. local minimum Step number 11 out of a maximum of 269 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00246 0.00364 0.00390 0.00421 0.00496 0.00534 0.00738 0.00841 0.01333 0.01447 0.01470 0.01543 0.01565 0.01766 0.01886 0.01924 0.02035 0.02069 0.02080 0.02084 0.02092 0.02097 0.02106 0.02108 0.02111 0.02118 0.02125 0.02136 0.02147 0.02160 0.02403 0.03351 0.03400 0.03952 0.04309 0.04591 0.04801 0.05447 0.05537 0.05632 0.05669 0.05743 0.06153 0.07161 0.07274 0.07497 0.08745 0.09225 0.12512 0.12981 0.15550 0.15818 0.15991 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16003 0.16009 0.16023 0.16047 0.16116 0.16807 0.17528 0.19172 0.21856 0.22000 0.22004 0.22436 0.22606 0.22938 0.23479 0.24131 0.24529 0.24850 0.24979 0.24996 0.24997 0.25003 0.25155 0.25212 0.25696 0.26273 0.28251 0.28663 0.29115 0.30037 0.30530 0.30871 0.32018 0.32165 0.32423 0.32549 0.32689 0.33031 0.33596 0.33672 0.33705 0.33802 0.33843 0.33853 0.33871 0.33891 0.33949 0.33998 0.34368 0.34452 0.34625 0.34703 0.34728 0.34763 0.34830 0.35033 0.35070 0.36095 0.40109 0.41614 0.41688 0.41717 0.44582 0.44895 0.45050 0.45463 0.45664 0.45753 0.46042 0.46224 0.47864 0.52131 0.54395 0.86302 1.02561 RFO step: Lambda=-8.46967494D-08. 1 2 3 0.00241607 0.00000205 0.00000000 0.00000097 0.00000018 0.00000018 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 3.70919 3.48315 2.63404 1.87377 2.40075 2.38402 2.92642 2.90756 2.91899 2.95296 2.08961 2.09570 2.86649 2.08486 2.10001 2.08584 2.09246 2.08623 2.09076 2.09126 2.08705 2.62088 2.77604 2.78064 2.94170 2.69732 2.67562 2.67586 2.67625 2.82124 2.67352 2.66915 2.06511 2.66626 2.06918 2.66923 2.06927 2.66948 2.06956 2.67517 2.06957 2.06895 2.68196 2.07265 2.68186 2.07259 2.86951 2.09300 2.08637 2.08637 1.80007 1.93595 1.87819 1.90862 1.78870 1.96660 1.96368 1.94756 1.99742 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-0.00007 -0.00031 0.00008 -0.00016 -0.00051 -0.00094 -0.00041 -0.00084 0.00016 0.00014 0.00007 0.00004 -0.00010 -0.00009 0.00006 0.00007 -0.00008 -0.00012 -0.00005 -0.00010 0.00017 0.00005 0.00022 0.00010 -0.00001 -0.00006 0.00023 0.00019 0.00004 0.00009 0.00004 0.00008 -0.00009 -0.00013 0.00003 0.00000 0.00001 0.00005 0.00006 0.00009 0.00097 0.00099 0.00100 0.00094 0.00096 0.00096 3.70907 3.48314 2.63405 1.87378 2.40065 2.38394 2.92650 2.90760 2.91901 2.95301 2.08961 2.09570 2.86649 2.08486 2.09996 2.08584 2.09245 2.08620 2.09074 2.09127 2.08703 2.62088 2.77610 2.78075 2.94178 2.69733 2.67565 2.67585 2.67625 2.82124 2.67355 2.66916 2.06511 2.66626 2.06919 2.66923 2.06927 2.66947 2.06956 2.67515 2.06957 2.06895 2.68199 2.07265 2.68186 2.07259 2.86951 2.09300 2.08636 2.08636 1.80021 1.93597 1.87824 1.90878 1.78873 1.96658 1.96358 1.94747 1.99741 1.90069 1.89039 1.87889 1.93179 1.85962 1.95584 1.90095 1.93139 1.87121 1.93846 1.86217 1.94168 1.92877 1.93084 1.88249 1.89381 1.88448 1.94425 1.92805 1.93467 1.89748 1.88318 1.87407 2.13228 2.06351 2.08723 2.13011 1.98031 2.17277 2.13300 2.08210 2.06809 2.07972 2.11691 2.08656 2.09801 2.10241 2.08148 2.10235 2.09217 2.08867 2.09185 2.13519 2.05614 2.09573 2.07919 2.10826 2.10065 2.06144 2.12110 2.09744 2.08452 2.10121 2.09739 2.08610 2.09967 2.10176 2.08841 2.09302 2.08951 2.09687 2.09681 2.11464 2.08347 2.08507 2.11453 2.08357 2.08509 2.06081 2.11094 2.11121 1.93661 1.94680 1.94651 1.87240 1.87242 1.88564 1.11885 -1.02279 -3.09102 1.58315 -1.61331 -0.02064 3.12120 3.13895 -1.04091 0.97486 -1.03860 1.06474 3.08050 1.18149 -2.99836 -0.98260 1.13192 -3.06057 -0.97442 -0.95613 1.13456 -3.06247 3.09845 -1.09404 0.99211 -1.07726 3.09511 1.01993 0.93498 -1.17583 3.03218 -3.11799 1.05438 -1.02079 -3.07235 1.14348 -0.89831 1.09546 -0.97190 -3.01369 -0.93053 -2.99789 1.24351 1.39334 -1.72874 -2.80495 0.35615 -0.77677 2.38433 0.00644 -3.13543 3.12826 -0.01360 -0.01241 3.12932 -3.13501 0.00672 -3.13219 0.00906 0.00965 -3.13228 0.00245 -3.13820 -3.13928 0.00326 0.00130 -3.14134 -3.13995 0.00060 3.14037 -0.00122 -0.00157 3.14002 3.10056 -0.03514 0.01318 -3.12253 -3.10066 0.03322 -0.01341 3.12047 3.13543 -0.00714 -0.00511 3.13550 0.00096 -3.14095 3.14151 -0.00040 0.00099 -3.14066 -3.14059 0.00094 -0.00154 3.14012 3.14038 -0.00114 -0.00592 3.13666 3.12973 -0.01088 0.00639 -3.13434 -3.12743 0.01503 0.00056 -3.14110 -3.14097 0.00055 -0.00123 -3.11997 3.13939 0.02065 0.00099 3.11973 -3.14147 -0.02273 1.57675 -2.61986 -0.50967 -1.54133 0.54525 2.65544 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000056 0.000010 0.008014 0.002416 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.603657e-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 1 1 2 2 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 12 13 13 14 14 15 15 17 17 18 18 19 19 20 20 21 21 22 23 23 24 24 25 26 26 26 5 14 11 41 12 16 6 8 9 7 27 28 10 29 30 31 32 33 34 35 36 11 12 13 16 15 17 19 20 16 18 21 37 22 38 23 39 24 40 22 42 43 25 44 25 45 26 46 47 48 1.9628 1.8432 1.3939 0.9916 1.2704 1.2616 1.5486 1.5386 1.5447 1.5626 1.1058 1.109 1.5169 1.1033 1.1113 1.1038 1.1073 1.104 1.1064 1.1066 1.1044 1.3869 1.469 1.4715 1.5567 1.4274 1.4159 1.416 1.4162 1.4929 1.4148 1.4125 1.0928 1.4109 1.095 1.4125 1.095 1.4126 1.0952 1.4156 1.0952 1.0948 1.4192 1.0968 1.4192 1.0968 1.5185 1.1076 1.1041 1.1041 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 11 1 1 1 6 6 8 5 5 5 7 7 27 6 6 6 10 10 29 5 5 5 31 31 32 5 5 5 34 34 35 7 7 11 2 2 10 3 3 10 11 11 15 1 1 19 13 13 16 4 4 12 13 13 21 15 15 22 14 14 23 14 14 24 17 17 22 18 18 21 19 19 25 20 20 25 23 23 24 25 25 25 46 46 47 1 2 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 11 11 11 12 12 12 13 13 13 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 25 25 25 26 26 26 26 26 26 14 41 6 8 9 8 9 9 7 27 28 27 28 28 10 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 11 12 12 10 13 13 10 16 16 15 17 17 19 20 20 16 18 18 12 15 15 21 37 37 22 38 38 23 39 39 24 40 40 22 42 42 21 43 43 25 44 44 25 45 45 24 26 26 46 47 48 47 48 48 103.1364 110.9215 107.6122 109.3561 102.4849 112.6778 112.5108 111.5872 114.4435 108.8978 108.3146 107.6498 110.6916 106.5423 112.0664 108.9111 110.669 107.2036 111.0654 106.6947 111.2449 110.516 110.6331 107.854 108.5071 107.9727 111.3957 110.4737 110.8491 108.7209 107.8948 107.3724 122.162 118.2392 119.5895 122.0467 113.4617 124.4915 122.2117 119.2954 118.4929 119.1583 121.2879 119.5537 120.2132 120.452 119.2608 120.4552 119.8713 119.6735 119.8559 122.3353 117.8088 120.0748 119.1294 120.7958 120.3575 118.1106 121.5319 120.1744 119.4349 120.3898 120.1706 119.5235 120.3046 120.4216 119.6578 119.9207 119.721 120.1411 120.1378 121.1593 119.3747 119.4659 121.1536 119.382 119.4644 118.0768 120.9495 120.9604 110.9614 111.5411 111.5288 107.2804 107.2808 108.039 -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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 14 14 14 5 5 41 41 1 1 1 8 8 8 9 9 9 1 1 1 6 6 6 9 9 9 1 1 1 6 6 6 8 8 8 5 5 5 27 27 27 28 28 28 6 6 29 29 30 30 7 7 12 12 7 7 11 11 2 2 10 10 3 3 10 10 11 11 17 17 11 11 15 15 1 1 20 20 1 1 19 19 13 13 18 18 13 13 16 16 13 13 37 37 15 15 38 38 14 14 39 39 14 14 40 40 17 17 42 42 19 19 44 44 20 20 45 45 23 23 23 24 24 1 1 1 1 1 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 23 23 23 23 24 24 24 24 25 25 25 25 25 5 5 5 14 14 11 11 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 16 16 16 16 15 15 15 15 17 17 17 17 19 19 19 19 20 20 20 20 16 16 16 16 18 18 18 18 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 22 22 22 22 25 25 25 25 25 25 25 25 26 26 26 26 26 6 8 9 19 20 10 13 7 27 28 7 27 28 7 27 28 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 10 29 30 10 29 30 10 29 30 11 12 11 12 11 12 2 13 2 13 3 16 3 16 15 17 15 17 4 15 4 15 16 18 16 18 21 37 21 37 23 39 23 39 24 40 24 40 4 12 4 12 22 38 22 38 22 42 22 42 21 43 21 43 25 44 25 44 25 45 25 45 18 43 18 43 24 26 24 26 23 26 23 26 46 47 48 46 47 64.1659 -58.5356 -177.0373 90.7284 -92.424 -1.1527 178.7934 179.9449 -59.5491 55.9384 -59.423 61.083 176.5705 67.7917 -171.7023 -56.2147 64.8239 -175.3938 -55.8597 -54.8037 64.9786 -175.4873 177.4933 -62.7244 56.8097 -61.7866 177.2664 58.3693 53.5049 -67.4421 173.6608 -178.7024 60.3506 -58.5464 -176.0056 65.5546 -51.4328 62.7985 -55.6413 -172.6288 -53.2776 -171.7174 71.2951 79.842 -99.0432 -160.7115 20.4033 -44.5106 136.6042 0.334 -179.606 179.2046 -0.7354 -0.7134 179.3081 -179.6281 0.3933 -179.4376 0.5297 0.507 -179.5257 0.1218 -179.8474 -179.899 0.1318 0.0686 -179.9857 -179.8993 0.0464 179.9329 -0.0585 -0.0999 179.9087 177.6492 -2.0104 0.7642 -178.8953 -177.6504 1.9215 -0.773 178.7988 179.6764 -0.3551 -0.2693 179.6991 0.0455 -179.971 179.9916 -0.0249 0.0624 -179.9414 -179.9464 0.0498 -0.0836 179.9229 179.9335 -0.06 -0.3485 179.7144 179.3077 -0.6293 0.3665 -179.5813 -179.2021 0.8501 0.0297 -179.9768 -179.9665 0.0271 -0.0649 -178.7537 179.872 1.1833 0.0559 178.7446 -179.9963 -1.3077 90.285 -150.1634 -29.2589 -88.3658 31.1858 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 344.29859999999974 AuxInfo=1/0/N:26,8,9,21,22,17,18,23,24,19,20,7,6,25,14,13,15,10,11,16,12,5,2,4,3,1/E:(2,3)(8,9)(10,11)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1/rA:48SOO1O1CCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s6;s5;s5;s7;s2s10;s3s10;s11;s1;s13;s4s12s15;s13;s15;s14;s14;s17;s18s21;s19;s20;s23s24;s25;s6;s6;s7;s7;s8;s8;s8;s9;s9;s9;s17;s18;s19;s20;s2;s21;s22;s23;s24;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.159040 0.000000 6.711977 4.758225 0.000000 8.132482 5.326814 2.848680 0.000000 1.866490 4.402392 5.107596 6.950415 0.000000 2.739240 3.100669 4.129510 5.626448 1.533794 0.000000 4.169465 2.976688 2.872052 4.812379 2.562054 1.536549 0.000000 2.761409 5.588224 4.981455 7.017765 1.517761 2.539465 3.132790 0.000000 2.645921 4.641499 5.766160 7.866104 1.523057 2.550880 3.093094 2.525343 0.000000 5.254709 2.409247 2.379712 3.609825 3.897314 2.526970 1.500328 4.482782 4.484298 0.000000 5.631921 1.362848 3.548614 4.009355 4.579124 3.123836 2.527154 5.463880 5.033053 1.359107 0.000000 6.358316 3.736638 1.205502 2.413858 4.915340 3.665386 2.525807 5.112736 5.613688 1.474755 2.449594 0.000000 6.996173 2.349088 4.074535 3.595891 6.028398 4.538878 3.904632 6.848154 6.508116 2.506003 1.478522 2.914170 0.000000 1.761589 5.715486 6.748769 7.722604 2.887047 3.255918 4.706257 3.215876 4.147477 5.524184 5.950004 6.382696 7.147431 0.000000 7.777688 3.640840 3.621061 2.379489 6.699432 5.209645 4.420344 7.259205 7.335304 2.920819 2.481751 2.577253 1.411277 7.710831 0.000000 7.422921 4.198082 2.399192 1.203790 6.194873 4.805094 3.906391 6.459861 6.979652 2.561266 2.857425 1.558594 2.514146 7.228838 1.493138 0.000000 7.735610 2.722897 5.437714 4.782042 6.955310 5.507900 5.027684 7.944387 7.289115 3.761298 2.512690 4.298829 1.398374 7.974457 2.432825 3.797731 0.000000 9.098309 4.774376 4.755922 2.898496 8.083571 6.582220 5.814170 8.638596 8.711542 4.314486 3.769264 3.845894 2.431230 8.956139 1.396899 2.505301 2.806943 0.000000 2.733708 6.967881 7.279027 8.323571 3.653702 4.258064 5.553269 3.399211 4.909261 6.447299 7.054657 7.102202 8.240239 1.396524 8.650524 7.980461 9.169110 9.890545 0.000000 2.732245 5.314017 6.766878 7.230214 3.699423 3.488004 4.906247 4.234533 4.981794 5.359463 5.552134 6.202221 6.554180 1.396595 7.103666 6.772059 7.279495 8.239450 2.432166 0.000000 9.067644 4.121033 6.244816 5.053667 8.299417 6.823090 6.287502 9.223001 8.674846 4.920496 3.789561 5.155153 2.421186 9.189733 2.798296 4.291253 1.401075 2.424175 10.352095 8.398293 0.000000 9.677988 4.964479 5.962940 4.284674 8.794694 7.282733 6.617601 9.529930 9.305761 5.142837 4.277834 4.975499 2.799787 9.630852 2.422078 3.791565 2.426488 1.401329 10.679187 8.830345 1.396135 0.000000 4.031865 7.746697 7.778705 8.443523 4.872672 5.216292 6.435763 4.510298 6.222641 7.123755 7.713558 7.597775 8.745721 2.411723 9.002145 8.277675 9.689166 10.143704 1.396926 2.803492 10.763186 10.971469 0.000000 4.030758 6.302953 7.302987 7.370163 4.907203 4.610337 5.887718 5.168636 6.280058 6.158444 6.370709 6.765803 7.181985 2.411679 7.530474 7.122127 7.927335 8.544434 2.803454 1.396813 8.903029 9.184594 2.429199 0.000000 4.550912 7.461281 7.791072 7.987284 5.401289 5.369052 6.586867 5.288851 6.817812 6.997917 7.413515 7.444219 8.268611 2.790483 8.485109 7.876869 9.127978 9.513014 2.429991 2.430061 10.096553 10.273853 1.405276 1.405474 0.000000 6.044012 8.626920 8.678860 8.516909 6.837719 6.709620 7.824104 6.621831 8.281201 8.082142 8.478825 8.352782 9.170301 4.283888 9.230544 8.589994 10.017144 10.124586 3.797423 3.797035 10.852489 10.904037 2.513579 2.513100 1.493422 0.000000 2.951530 3.542265 4.100147 5.185623 2.178831 1.111725 2.168460 2.757418 3.503825 2.739245 3.356735 3.603354 4.592283 2.809740 5.067630 4.537770 5.634268 6.392023 3.738122 2.803654 6.852757 7.177647 4.466340 3.721026 4.463222 5.726695 0.000000 2.817175 2.385245 4.820986 6.000148 2.179852 1.115697 2.180965 3.491230 2.815732 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11.987022 2.719617 3.433235 2.180638 1.104061 6.289529 7.835862 7.781012 9.136581 5.829622 7.570558 7.140780 9.302061 9.438139 9.039363 11.852207 10.811943 4.818669 5.571218 9.978476 13.196367 12.753780 2.513810 3.761603 1.781053 1.786849 0.000000 0.2814729 0.0975003 0.0837356 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= 298 298 298 298 298 MxSgAt= 48 MxSgA2= 48. 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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= 20910 NPrTT= 105722 LenC2= 17134 LenP2D= 51802. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 312 RedAO= T EigKep= 1.55D-04 NBF= 312 NBsUse= 312 1.00D-06 EigRej= -1.00D+00 NBFU= 312 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= 296 296 296 296 296 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 0 1 -1473.23411418334 -1473.18951007065 0.044604112690 -1473.52010199199 -0.330591921342 -1473.56770450004 -0.047602508056 -1473.73943667112 -0.171732171073 -1473.74402145847 -0.004584787348 -1473.74962905601 -0.005607597544 -1473.75005933735 -0.000430281343 -1473.75010570049 -0.000046363140 -1473.75010962418 -0.000003923685 -1473.74992776366 0.000181860518 -1473.74993860062 -0.000010836962 -1473.74993651209 0.000002088533 -1473.74993897902 -0.000002466933 -1473.74993901635 -0.000000037328 -1473.74993902000 -0.000000003648 -1473.74993902029 -0.000000000291 -1473.74993902041 -0.000000000122 -1473.74993902037 0.000000000040 -1473.74993902 19 1.468771070922e+03 -8.178957567311e+03 2.872663928311e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 314422 IEndB= 314422 NGot= 402653184 MDV= 402453059 LenX= 402453059 LenY= 402355274 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. 1.36611006e-01 -3.24647508e-01 -1.40742665e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 8 8 8 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 0.013247897 -0.033934836 -0.026248565 0.021066165 -0.024849185 -0.015323996 0.025514072 -0.012315390 0.084992260 -0.002056825 0.071288232 0.044615556 -0.003834055 0.002541416 -0.000832410 -0.004093046 0.004132199 0.002914346 0.001040604 -0.008510373 0.010521104 0.000577233 0.002600543 0.013556067 -0.003317494 -0.011787869 0.005136211 0.009515832 0.003240248 0.024176232 -0.018568731 0.014601684 -0.008252112 -0.028471547 0.014580523 -0.082321719 0.009934953 -0.005480527 0.007686655 -0.000650237 0.003653865 0.001813325 0.002880370 0.002762930 0.005597829 0.000976841 -0.067889985 -0.041233006 0.001794718 -0.007725632 -0.009915597 -0.005447719 0.009313711 0.004412618 0.008921005 0.001568135 0.006581776 -0.006004028 0.006222077 -0.006492696 -0.003569163 -0.004427336 -0.010010243 -0.009954239 0.008836198 0.001931537 0.002995509 0.000910770 0.002328101 -0.001857976 0.002716552 -0.002269913 0.000427502 0.006858598 0.001586967 0.003413070 0.012171297 0.000145779 -0.000054932 -0.003434259 -0.000469590 0.011028005 -0.000913173 0.000881877 -0.004859016 0.001216062 -0.006684221 0.001556635 -0.000389731 -0.001721762 0.000137536 0.004039229 -0.001756680 -0.004017095 -0.001703338 0.003943461 0.002943558 -0.003483490 -0.001874756 -0.002407946 0.000627145 -0.005992615 -0.003220230 -0.000435969 0.004074744 0.003942481 0.000738168 0.000289010 0.000655857 0.000232356 0.000439006 0.000989167 0.000333278 0.001239955 0.000132710 -0.003155101 0.000246343 -0.001752235 -0.002871203 -0.001280262 -0.018563574 0.006885251 -0.002484351 -0.001756664 -0.000415426 -0.002326369 -0.002905411 0.001454536 -0.000591475 0.003944647 0.002457634 0.003029987 -0.002442194 0.004339557 -0.002547248 0.003157925 0.001966982 -0.003104067 -0.003368967 0.001566659 -0.001689134 0.002379032 -0.000133015 0.003282040 0.084992260 0.015972092 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -1473.78185102688 -1473.78192275043 -0.000071723547 -1473.78192202006 0.000000730374 -1473.78192260677 -0.000000586711 -1473.78209358545 -0.000170978678 -1473.78210240083 -0.000008815387 -1473.78208750316 0.000014897671 -1473.78210325575 -0.000015752589 -1473.78210416962 -0.000000913872 -1473.78210417170 -0.000000002073 -1473.78210417213 -0.000000000436 -1473.78210417217 -0.000000000037 -1473.78210417220 -0.000000000029 -1473.78210417 13 1.467245074915e+03 -8.105144003219e+03 2.836866387182e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 314422 IEndB= 314422 NGot= 402653184 MDV= 402453059 LenX= 402453059 LenY= 402355274 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -88.069742 -18.831633 -18.774095 -18.761060 -10.007925 -10.002283 -9.992874 -9.952360 -9.951457 -9.941535 -9.936707 -9.934044 -9.933501 -9.932972 -9.932666 -9.931520 -9.920683 -9.919273 -9.910289 -9.909970 -9.909391 -9.906917 -9.906798 -9.900755 -9.893915 -9.889163 -7.670735 -5.694160 -5.689479 -5.679619 -1.012348 -0.972749 -0.944178 -0.816388 -0.785668 -0.771680 -0.756722 -0.720990 -0.713690 -0.708591 -0.677640 -0.668556 -0.648111 -0.644852 -0.629532 -0.608058 -0.594621 -0.568184 -0.565060 -0.558204 -0.550266 -0.520717 -0.506198 -0.496169 -0.488461 -0.467850 -0.443665 -0.429390 -0.427485 -0.419530 -0.416610 -0.413561 -0.412498 -0.405443 -0.400731 -0.395559 -0.383869 -0.377658 -0.375748 -0.374468 -0.373397 -0.370854 -0.362561 -0.356764 -0.354213 -0.344098 -0.343885 -0.341579 -0.337789 -0.331125 -0.326688 -0.323540 -0.320616 -0.316595 -0.302329 -0.300668 -0.297325 -0.288637 -0.270488 -0.266794 -0.253453 -0.234228 -0.229043 -0.220800 -0.213450 -0.201666 -0.190847 -0.148337 -0.084547 -0.053247 -0.048797 -0.041711 -0.017123 -0.000610 0.011782 0.025985 0.032799 0.081917 0.087932 0.090569 0.091356 0.095133 0.099803 0.108077 0.110590 0.111892 0.113329 0.119007 0.121461 0.125860 0.131851 0.139211 0.143396 0.145143 0.149926 0.152995 0.155926 0.157526 0.163851 0.167549 0.172857 0.175780 0.180243 0.183840 0.188572 0.192373 0.198545 0.198843 0.207126 0.211949 0.220062 0.224337 0.238732 0.241138 0.244968 0.247788 0.248943 0.253639 0.259673 0.266513 0.270289 0.276461 0.280575 0.283776 0.290411 0.295114 0.302763 0.308379 0.313683 0.314144 0.317654 0.319787 0.324764 0.328495 0.335246 0.342772 0.346577 0.347507 0.351459 0.354391 0.354966 0.357351 0.363813 0.366349 0.373332 0.385031 0.386294 0.391429 0.395760 0.399069 0.401112 0.407479 0.409795 0.412966 0.419797 0.423313 0.425912 0.428590 0.440763 0.442738 0.443564 0.458392 0.469043 0.474332 0.478105 0.491924 0.500075 0.503943 0.507756 0.511775 0.517992 0.522115 0.527629 0.541346 0.557063 0.568591 0.575931 0.581642 0.586378 0.596735 0.606105 0.613228 0.618668 0.623830 0.635929 0.643449 0.662542 0.677835 0.682854 0.690789 0.695329 0.711804 0.730904 0.749586 0.754905 0.766306 0.781512 0.791373 0.813497 0.825852 0.834701 0.860941 0.867664 0.874579 0.885860 0.888571 0.900194 0.902708 0.928775 0.933205 0.947527 0.956875 0.957591 0.959272 0.972756 0.982021 0.988111 0.998447 1.034167 1.038138 1.044069 1.058621 1.069477 1.077539 1.084316 1.087201 1.102776 1.112180 1.120559 1.130901 1.150184 1.153906 1.163671 1.178090 1.181206 1.191930 1.206407 1.235529 1.249113 1.270708 1.284809 1.287272 1.303529 1.312804 1.343999 1.351196 1.454033 1.468167 1.472640 1.647129 1.688330 1.755654 5.181965 5.193615 5.305808 7.514052 22.265825 22.308059 22.449174 22.493475 22.529776 22.553452 22.556360 22.563376 22.568492 22.611700 22.624254 22.629806 22.632596 22.651220 22.663375 22.673264 22.678281 22.691013 22.697944 22.743097 22.770698 22.782431 41.482377 41.532787 41.557927 191.768115 121.096072 29.116149 29.116645 29.116818 15.954567 15.953998 15.954191 15.952412 15.961457 15.951961 15.955562 15.952723 15.955401 15.953965 15.954171 15.956210 15.956741 15.956266 15.954822 15.954934 15.957110 15.954886 15.955068 15.956315 15.956097 15.956135 18.392856 17.452634 17.460384 17.472971 2.576850 2.566407 2.727498 1.554909 1.498588 1.525279 1.511701 1.584978 1.680604 1.573837 1.604113 1.592330 1.686505 1.806761 1.355857 1.468090 1.816090 1.664352 1.640436 1.654941 1.442251 1.459109 1.590155 1.276416 1.348545 1.501168 1.218262 1.428674 1.406026 1.254767 1.275312 1.224940 1.157235 1.302992 1.206782 1.240444 1.904801 1.428106 1.194234 1.093238 1.627632 1.823849 1.410021 1.426260 1.822754 1.225533 1.234484 1.194883 1.449667 1.610598 1.559699 1.279869 1.514826 1.301550 1.336219 1.337775 1.325029 1.552483 1.614351 1.523969 1.312079 2.477773 1.140254 1.540325 1.432658 2.351182 1.913709 1.988497 1.552916 1.662893 1.513581 1.365402 1.854383 1.501413 1.991085 1.992883 1.880262 1.277192 1.461095 1.281205 1.603311 1.445630 1.080843 1.395331 1.173343 1.310029 1.514989 1.536944 1.172476 1.288581 1.402851 1.093828 1.186870 1.289532 1.365614 1.296458 1.406655 1.187841 1.186395 1.572249 1.382968 1.475575 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2.967705 2.917109 3.030004 3.025154 2.864961 3.006586 2.749232 2.913250 2.874248 2.758535 2.725436 2.658875 2.845776 2.941182 2.795256 2.833784 2.745313 2.844344 3.018933 2.636809 2.913800 2.764123 2.790064 2.858200 2.781119 2.803398 2.545627 2.889864 2.795565 2.830939 2.825299 2.767850 2.857393 2.923553 2.914934 2.970861 5.088478 5.121422 5.190354 13.894380 13.839835 13.871784 29.773191 57.413701 57.407376 57.410635 57.417121 57.410154 57.409184 57.404436 57.412840 57.408445 57.399115 57.393715 57.400891 57.399939 57.380017 57.395944 57.382633 57.396429 57.391812 57.395117 57.393843 57.381424 57.382342 105.846494 105.843103 105.841234 495.303884 1.467245074915D+03 PT9443.600S Thu Mar 1 22:56:40 2018 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 S O O O 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 0.239598 -0.393312 -0.119123 -0.108161 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AuxInfo=1/0/N:26,8,9,21,22,17,18,23,24,19,20,7,6,25,14,13,15,10,11,16,12,5,2,4,3,1/E:(2,3)(8,9)(10,11)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1/rA:48SOO1O1CCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s6;s5;s5;s7;s2s10;s3s10;s11;s1;s13;s4s12s15;s13;s15;s14;s14;s17;s18s21;s19;s20;s23s24;s25;s6;s6;s7;s7;s8;s8;s8;s9;s9;s9;s17;s18;s19;s20;s2;s21;s22;s23;s24;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2069 CBGUSER 000268007 EM64L-G09RevD.01 1-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 138 C1[X(C22H22O3S)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 344.29859999999974 0 1 AuxInfo=1/0/N:26,8,9,21,22,17,18,23,24,19,20,7,6,25,14,13,15,10,11,16,12,5,2,4,3,1/E:(2,3)(8,9)(10,11)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1/rA:48SOO1O1CCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s6;s5;s5;s7;s2s10;s3s10;s11;s1;s13;s4s12s15;s13;s15;s14;s14;s17;s18s21;s19;s20;s23s24;s25;s6;s6;s7;s7;s8;s8;s8;s9;s9;s9;s17;s18;s19;s20;s2;s21;s22;s23;s24;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-12800.inp" -scrdir="/scratch/" chk=000268007-Freq.chk nprocshared=4 mem=3GB #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 000268007 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 32 16 16 16 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 31.9720718 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 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000120 0.000032 0.070887 0.024871 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -9.190843e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2327.2504179289 312 724 312 97 97 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 48 48 48 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 0 344.29859999999974 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3.924996 1.094964 10.403102 8.661704 3.447999 2.192159 10.543038 8.836559 9.810676 10.321250 7.000470 7.139994 6.766765 7.063082 9.074012 9.049524 10.404261 9.322690 9.243906 10.544014 5.017677 0.000000 2.952013 8.099747 6.800081 9.231217 3.785699 4.716057 5.881160 3.291060 4.885695 7.001707 7.969871 7.333384 9.185749 2.174417 9.496758 8.683563 10.236392 10.781426 1.095011 3.434414 11.433288 11.685187 2.181534 3.913329 3.457677 4.736882 4.346234 5.308958 5.669664 6.407270 2.817479 4.304764 2.988809 5.515215 5.649265 4.692644 10.220123 11.151601 0.000000 2.959487 5.636462 5.491607 6.885239 3.825726 3.330386 4.710497 4.685091 4.988074 4.991350 5.430852 5.376322 6.226874 2.175687 6.570018 6.205574 7.032594 7.625037 3.435114 1.095161 8.023763 8.293829 3.913380 2.180864 3.457223 4.736306 2.681154 3.112401 5.139423 5.503610 4.322014 5.508814 5.291587 4.871641 5.793639 5.550224 7.090630 8.090471 4.337235 0.000000 4.980731 0.991558 4.833522 6.034224 3.724086 2.817002 2.436392 4.866147 3.476998 2.496433 1.978165 3.955824 3.259771 5.954506 4.465102 4.790560 3.752325 5.703437 7.103788 5.986663 5.164644 5.995608 8.097009 7.141129 8.135264 9.450450 3.700431 2.342289 3.500694 2.059322 5.415489 4.729485 5.678155 3.056651 3.250000 4.538830 3.343487 6.614577 7.388814 5.353857 0.000000 9.989517 4.809999 7.551376 6.177270 9.146184 7.771860 7.229400 10.210162 9.220335 5.942353 4.687663 6.302040 3.440281 10.381740 3.922969 5.415864 2.173770 3.436813 11.634907 9.683294 1.095170 2.179469 12.189095 10.350474 11.610464 12.491868 8.024847 7.143931 8.031692 7.310393 10.389948 10.041902 11.183491 8.641702 9.030011 10.279608 2.513895 4.357352 12.276345 8.768759 5.794356 0.000000 10.842832 6.110810 7.121173 4.948896 9.941266 8.430130 7.771077 10.763273 10.345845 6.281560 5.404916 6.041093 3.933652 10.838902 3.443517 4.690217 3.445553 2.177317 11.946636 9.985675 2.181528 1.094839 12.241706 10.344979 11.500125 12.126508 8.402385 8.031603 8.321749 8.113608 10.713054 10.549814 11.827207 9.965435 10.142706 11.445892 4.353791 2.533354 12.688491 9.202583 7.071841 2.511612 0.000000 5.005375 9.559760 7.212844 9.328366 5.762249 6.215248 7.252251 5.164388 7.103586 8.057136 9.123835 7.955189 10.113466 3.440855 10.097855 9.092507 11.264414 11.233556 2.172089 3.915047 12.286278 12.276143 1.096799 3.430859 2.179130 2.761713 5.457081 6.835362 6.880556 8.028726 4.272438 6.006528 5.131635 7.691847 7.787737 7.086860 11.455681 11.383349 2.504491 5.010133 9.020636 13.199139 13.180725 0.000000 5.009076 7.581305 5.989823 7.008343 5.786620 5.238354 6.335803 6.146052 7.172623 6.382625 7.009986 6.191792 7.522171 3.441131 7.405653 6.759399 8.453125 8.245023 3.915104 2.172257 9.192023 9.100719 3.430830 1.096767 2.179037 2.761866 4.247597 5.308573 6.446769 7.324029 5.383433 6.918814 6.737769 7.242209 7.890957 7.680776 8.772516 8.400032 5.010056 2.503409 7.441438 10.013585 9.863329 4.341773 0.000000 6.672895 10.469232 8.151902 9.449031 7.680371 7.611764 8.711481 7.539214 9.103099 9.039837 9.890702 8.715244 10.515645 4.874198 10.295806 9.412600 11.545173 11.143181 4.356716 4.347085 12.300438 12.117219 3.091535 3.077968 2.176190 1.107568 6.632871 7.929140 8.536598 9.668306 6.607288 8.383020 7.789254 9.401729 9.866407 9.310797 11.870839 11.153404 5.191015 5.175553 10.182506 13.158246 12.851759 3.204627 3.181930 0.000000 6.715249 9.590140 6.815224 7.861601 7.331675 6.955956 7.834589 7.185455 8.838381 7.945431 8.825645 7.405994 9.313552 4.896305 8.918710 7.958524 10.404915 9.692605 4.613777 4.118795 11.068185 10.743577 3.427394 2.727774 2.180791 1.104060 5.882016 7.326041 7.609785 8.876578 6.185424 7.871992 7.663559 9.149104 9.465552 9.233800 10.858937 9.603729 5.565410 4.826491 9.417660 11.976631 11.438848 3.752008 2.528607 1.781047 0.000000 6.713146 10.301736 7.307842 8.818884 7.330353 7.288629 8.168697 6.870131 8.820472 8.563580 9.600456 8.087913 10.286884 4.895640 9.962499 8.882000 11.459947 10.874140 4.112922 4.617904 12.253166 11.987022 2.719617 3.433235 2.180638 1.104060 6.289529 7.835861 7.781012 9.136581 5.829622 7.570558 7.140780 9.302062 9.438139 9.039363 11.852207 10.811943 4.818669 5.571218 9.978476 13.196367 12.753780 2.513810 3.761602 1.781053 1.786849 0.000000 C22H22O3S 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 0 344.29859999999974 AuxInfo=1/0/N:26,8,9,21,22,17,18,23,24,19,20,7,6,25,14,13,15,10,11,16,12,5,2,4,3,1/E:(2,3)(8,9)(10,11)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,24.1,25.1/rA:48SOO1O1CCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1;s5;s6;s5;s5;s7;s2s10;s3s10;s11;s1;s13;s4s12s15;s13;s15;s14;s14;s17;s18s21;s19;s20;s23s24;s25;s6;s6;s7;s7;s8;s8;s8;s9;s9;s9;s17;s18;s19;s20;s2;s21;s22;s23;s24;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2814729 0.0975003 0.0837356 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= 20910 NPrTT= 105722 LenC2= 17134 LenP2D= 51802. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 312 RedAO= T EigKep= 1.55D-04 NBF= 312 NBsUse= 312 1.00D-06 EigRej= -1.00D+00 NBFU= 312 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= 296 296 296 296 296 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 0 1 -1473.26607327728 -1473.34607036245 -0.079997085174 -1473.04611439301 0.299955969444 -1473.32301286842 -0.276898475413 -1473.72094392589 -0.397931057468 -1473.74842945049 -0.027485524600 -1473.77628280517 -0.027853354677 -1473.78081192523 -0.004529120064 -1473.78156197507 -0.000750049839 -1473.78180796486 -0.000245989792 -1473.78181831075 -0.000010345891 -1473.78182082344 -0.000002512683 -1473.78214170267 -0.000320879234 -1473.78215294749 -0.000011244816 -1473.78214181389 0.000011133593 -1473.78215333710 -0.000011523211 -1473.78215401801 -0.000000680908 -1473.78215402165 -0.000000003636 -1473.78215402214 -0.000000000493 -1473.78215402220 -0.000000000060 -1473.78215402220 0.000000000000 -1473.78215402 21 1.467244818786e+03 -8.105143637520e+03 2.836866246783e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 314938 IEndB= 314938 NGot= 402653184 MDV= 402452543 LenX= 402452543 LenY= 402354758 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 48. Will process 49 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 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= 402652388 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 700000000 NMat= 147 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 147 NMatS0= 147 NMatT0= 0 NMatD0= 147 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 2.09D-14 1.00D-09 XBig12= 7.95D+02 1.11D+01. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 2.09D-14 1.00D-09 XBig12= 2.61D+02 2.27D+00. 144 vectors produced by pass 2 Test12= 2.09D-14 1.00D-09 XBig12= 9.51D-01 8.58D-02. 144 vectors produced by pass 3 Test12= 2.09D-14 1.00D-09 XBig12= 4.85D-04 1.56D-03. 99 vectors produced by pass 4 Test12= 2.09D-14 1.00D-09 XBig12= 1.08D-07 2.12D-05. 14 vectors produced by pass 5 Test12= 2.09D-14 1.00D-09 XBig12= 2.02D-11 4.80D-07. 3 vectors produced by pass 6 Test12= 2.09D-14 1.00D-09 XBig12= 4.82D-15 5.77D-09. InvSVY: IOpt=1 It= 1 EMax= 4.97D-14 Solved reduced A of dimension 692 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 275.40 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 326.103 5.211 292.028 61.208 16.171 208.057 577.131 36.424 601.068 203.367 111.714 475.172 (Enter /mnt/data/applications/G09/g09/l716.exe) PT9401.900S Thu Mar 1 23:36:15 2018 -88.06975 -18.83163 -18.77409 -18.76106 -10.00792 -10.00228 -9.99287 -9.95236 -9.95146 -9.94154 -9.93671 -9.93405 -9.93350 -9.93297 -9.93267 -9.93152 -9.92068 -9.91928 -9.91029 -9.90997 -9.90940 -9.90692 -9.90680 -9.90075 -9.89391 -9.88917 -7.67074 -5.69416 -5.68948 -5.67962 -1.01235 -0.97275 -0.94418 -0.81639 -0.78567 -0.77168 -0.75673 -0.72099 -0.71369 -0.70859 -0.67764 -0.66856 -0.64811 -0.64485 -0.62953 -0.60806 -0.59462 -0.56818 -0.56506 -0.55820 -0.55027 -0.52072 -0.50620 -0.49617 -0.48846 -0.46785 -0.44367 -0.42939 -0.42748 -0.41953 -0.41661 -0.41356 -0.41250 -0.40544 -0.40073 -0.39556 -0.38387 -0.37766 -0.37575 -0.37447 -0.37340 -0.37085 -0.36256 -0.35676 -0.35421 -0.34410 -0.34389 -0.34158 -0.33779 -0.33113 -0.32669 -0.32354 -0.32062 -0.31660 -0.30233 -0.30067 -0.29732 -0.28864 -0.27049 -0.26679 -0.25345 -0.23423 -0.22904 -0.22080 -0.21345 -0.20166 -0.19085 -0.14834 -0.08455 -0.05325 -0.04880 -0.04171 -0.01712 -0.00061 0.01178 0.02598 0.03280 0.08191 0.08793 0.09057 0.09136 0.09513 0.09980 0.10807 0.11059 0.11189 0.11333 0.11901 0.12146 0.12586 0.13185 0.13921 0.14339 0.14514 0.14993 0.15300 0.15593 0.15752 0.16385 0.16755 0.17285 0.17578 0.18024 0.18384 0.18857 0.19237 0.19855 0.19884 0.20712 0.21195 0.22006 0.22434 0.23873 0.24114 0.24496 0.24778 0.24894 0.25364 0.25967 0.26651 0.27029 0.27646 0.28057 0.28378 0.29040 0.29511 0.30276 0.30838 0.31368 0.31414 0.31765 0.31979 0.32476 0.32849 0.33525 0.34276 0.34658 0.34750 0.35146 0.35439 0.35497 0.35735 0.36381 0.36635 0.37332 0.38503 0.38630 0.39143 0.39575 0.39906 0.40110 0.40747 0.40979 0.41296 0.41979 0.42330 0.42590 0.42859 0.44075 0.44273 0.44356 0.45839 0.46904 0.47432 0.47810 0.49192 0.50007 0.50393 0.50775 0.51177 0.51799 0.52210 0.52763 0.54133 0.55706 0.56858 0.57592 0.58164 0.58637 0.59673 0.60609 0.61322 0.61867 0.62383 0.63592 0.64344 0.66253 0.67783 0.68285 0.69079 0.69533 0.71181 0.73091 0.74958 0.75490 0.76631 0.78151 0.79137 0.81350 0.82585 0.83471 0.86094 0.86767 0.87458 0.88586 0.88857 0.90019 0.90270 0.92877 0.93320 0.94752 0.95687 0.95759 0.95927 0.97275 0.98202 0.98812 0.99844 1.03417 1.03815 1.04407 1.05862 1.06947 1.07754 1.08432 1.08719 1.10277 1.11218 1.12056 1.13090 1.15019 1.15391 1.16367 1.17810 1.18121 1.19193 1.20641 1.23553 1.24912 1.27071 1.28480 1.28727 1.30353 1.31281 1.34400 1.35120 1.45404 1.46817 1.47264 1.64713 1.68833 1.75565 5.18197 5.19360 5.30581 7.51405 22.26582 22.30806 22.44917 22.49347 22.52978 22.55345 22.55636 22.56338 22.56849 22.61170 22.62425 22.62981 22.63259 22.65122 22.66337 22.67326 22.67828 22.69101 22.69794 22.74310 22.77070 22.78243 41.48237 41.53279 41.55793 191.76811 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 S O O O 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 0.173644 -0.397747 -0.154208 -0.137995 -0.074873 -0.353406 -0.652129 -0.686927 -0.716902 0.241529 0.014880 -0.170411 0.338716 -0.217831 0.290971 -0.212208 -0.381255 -0.375762 -0.217836 -0.228874 -0.221907 -0.231926 -0.385042 -0.379845 0.448767 -0.803901 0.269574 0.224485 0.298381 0.214915 0.251708 0.220634 0.223311 0.223777 0.214066 0.245138 0.287649 0.291346 0.249712 0.251467 0.384331 0.239969 0.242390 0.233022 0.233279 0.236578 0.229464 0.227278 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 25 26 S O O O C C C C C C C C C C C C C C C C C C C C C C 0.173644 -0.013416 -0.154208 -0.137995 -0.074873 0.140653 -0.138833 0.008725 -0.033920 0.241529 0.014880 -0.170411 0.338716 -0.217831 0.290971 -0.212208 -0.093606 -0.084415 0.031876 0.022593 0.018063 0.010464 -0.152020 -0.146565 0.448767 -0.110580 0.00000 -6.05430277e-01 -1.05927188e+00 -1.00229269e+00 3.26102927e+02 5.21063913e+00 2.92028476e+02 6.12079377e+01 1.61714945e+01 2.08056575e+02 -35.6541 -0.0005 0.0006 0.0008 6.1081 6.5182 8.8505 12.3966 17.4337 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -35.5206 11.2055 17.3877 31.8886 32.5884 48.7736 54.7703 64.4650 94.1540 110.5102 129.7060 156.2386 162.3790 183.8473 215.6300 218.4558 242.3750 252.7015 256.0691 270.8496 295.8246 310.4405 338.4456 348.1239 357.3334 358.0570 368.5129 382.5751 390.4965 402.5683 410.1257 415.6277 422.7399 428.3998 454.9107 484.0866 492.4755 513.0063 563.1126 578.3067 611.6356 632.0048 632.3520 655.3186 673.0875 686.8632 715.5245 731.0696 760.5470 787.8036 788.8065 797.5256 824.3380 838.4336 851.5062 866.4916 919.9520 927.1192 933.6214 957.8903 958.7195 976.8781 978.6590 985.4960 988.4810 989.8834 1004.4610 1009.8631 1012.0139 1027.9656 1041.8788 1048.2748 1075.2308 1076.3264 1113.8538 1116.6739 1119.4483 1161.7726 1172.4856 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