Gaussian 09 GINC-KIMIK2077 CBGUSER 000102991 EM64L-G09RevD.01 30-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 312.1889999999998 0 1 AuxInfo=1/0/N:23,24,11,12,9,10,21,22,13,14,15,16,7,8,19,20,17,18,5,6,1,2,3,4/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:1.3,2.3,7.3,8.3,15.3,16.3,17.3,18.3,19.1,20.1/rA:46OOOOO1O1CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s1;s2;s7;s8;s9;s10;s1s11;s2s12;s3s7;s4s8;s3s5;s4s6;s17;s18s19;s19;s20;s21;s22s23;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-30570.inp" -scrdir="/scratch/" chk=000102991.chk nprocshared=4 mem=3GB #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 000102991 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 16 16 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 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 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 1 1 2 2 3 3 4 4 5 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 15 15 16 16 17 18 19 19 20 21 21 22 22 23 23 24 7 13 8 14 15 17 16 18 17 18 9 15 25 10 16 26 11 27 28 12 29 30 13 31 32 14 33 34 35 36 37 38 39 40 41 42 19 20 20 21 22 23 43 24 44 24 45 46 1.4375 1.4355 1.4376 1.4355 1.4189 1.3629 1.4316 1.3671 1.2212 1.2366 1.5189 1.5162 1.0972 1.5189 1.5163 1.097 1.508 1.0967 1.0935 1.5081 1.0968 1.0934 1.5139 1.093 1.0965 1.5138 1.0931 1.0965 1.0952 1.0936 1.0952 1.0936 1.0968 1.096 1.0966 1.0957 1.4847 1.4571 1.395 1.3948 1.3949 1.395 1.0871 1.3947 1.0871 1.3948 1.0861 1.0862 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 7 8 15 16 1 1 1 9 9 15 2 2 2 10 10 16 7 7 7 11 11 27 8 8 8 12 12 29 9 9 9 13 13 31 10 10 10 14 14 33 1 1 1 11 11 35 2 2 2 12 12 37 3 3 3 7 7 39 4 4 4 8 8 41 3 3 5 4 4 6 17 17 20 18 18 19 19 19 23 20 20 24 21 21 24 22 22 23 1 2 3 4 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 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 13 14 17 18 9 15 25 15 25 25 10 16 26 16 26 26 11 27 28 27 28 28 12 29 30 29 30 30 13 31 32 31 32 32 14 33 34 33 34 34 11 35 36 35 36 36 12 37 38 37 38 38 7 39 40 39 40 40 8 41 42 41 42 42 5 19 19 6 20 20 20 21 21 19 22 22 23 43 43 24 44 44 24 45 45 23 46 46 108.4278 108.4249 116.1634 116.7638 106.1783 109.8487 106.3149 113.5149 110.6403 110.0289 106.1758 109.8405 106.3113 113.5147 110.6744 110.0095 101.4868 111.0516 112.8685 109.595 113.4261 108.3078 101.4857 111.0486 112.8686 109.5976 113.4258 108.3094 101.93 113.7851 109.8165 112.991 109.9586 108.2349 101.9347 113.7775 109.8183 112.9916 109.9565 108.2375 106.9562 107.6264 109.7018 111.2189 112.5959 108.6131 106.9582 107.6248 109.6971 111.2203 112.601 108.6107 108.9157 108.4751 109.72 110.026 110.1802 109.4964 109.014 108.1437 109.3953 110.2028 110.3673 109.677 125.8642 110.8684 123.2674 124.1994 111.4718 124.3288 121.3036 118.6994 119.9969 121.2945 118.7129 119.9926 120.0024 120.7167 119.2809 120.0101 120.7539 119.236 119.9966 120.0065 119.9969 120.0014 120.0113 119.9873 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 13 13 13 7 7 7 14 14 14 8 8 8 17 17 17 15 15 18 18 18 16 16 1 1 1 15 15 15 25 25 25 1 1 1 9 9 9 25 25 25 2 2 2 16 16 16 26 26 26 2 2 2 10 10 10 26 26 26 7 7 7 27 27 27 28 28 28 8 8 8 29 29 29 30 30 30 9 9 9 31 31 31 32 32 32 10 10 10 33 33 33 34 34 34 3 3 5 5 4 4 6 6 17 17 21 21 17 17 20 20 18 18 19 19 19 19 43 43 20 20 44 44 21 21 45 45 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 7 7 7 13 13 13 8 8 8 14 14 14 15 15 15 17 17 16 16 16 18 18 9 9 9 9 9 9 9 9 9 15 15 15 15 15 15 15 15 15 10 10 10 10 10 10 10 10 10 16 16 16 16 16 16 16 16 16 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 24 24 24 24 9 15 25 11 35 36 10 16 26 12 37 38 7 39 40 5 19 8 41 42 6 20 11 27 28 11 27 28 11 27 28 3 39 40 3 39 40 3 39 40 12 29 30 12 29 30 12 29 30 4 41 42 4 41 42 4 41 42 13 31 32 13 31 32 13 31 32 14 33 34 14 33 34 14 33 34 1 35 36 1 35 36 1 35 36 2 37 38 2 37 38 2 37 38 20 21 20 21 19 22 19 22 18 22 18 22 23 43 23 43 24 44 24 44 24 45 24 45 23 46 23 46 22 46 22 46 -15.4634 -138.5841 102.3992 -9.213 110.3838 -131.6145 -15.4706 -138.5848 102.4281 -9.2057 110.393 -131.6118 179.9934 60.2471 -59.3281 -0.0025 -179.9373 -179.9951 60.1827 -59.2252 -0.0049 -179.9495 33.6426 -82.7753 155.3788 154.4259 38.008 -83.838 -81.3084 162.2737 40.4277 -61.7785 57.0011 177.8262 179.528 -61.6924 59.1327 54.9317 173.7113 -65.4636 33.6443 -82.7747 155.3794 154.4156 37.9966 -83.8493 -81.3179 162.2631 40.4172 -61.7819 56.7581 178.0455 179.5335 -61.9265 59.361 54.9076 173.4476 -65.2649 -37.7388 -159.7026 78.8107 79.7402 -42.2235 -163.7103 -159.0866 78.9497 -42.5371 -37.7394 -159.703 78.8108 79.7367 -42.2269 -163.7131 -159.0864 78.95 -42.5362 29.9995 -87.2567 150.5728 152.5079 35.2516 -86.9188 -86.4468 156.2969 34.1265 29.9948 -87.2615 150.5666 152.4973 35.241 -86.9309 -86.4552 156.2885 34.1166 59.9711 -120.0548 -119.9658 60.0084 59.9131 -120.0562 -120.0314 59.9993 -0.0076 179.9614 -179.9814 -0.0125 -179.9725 0.112 0.0021 -179.9135 179.9886 0.0696 0.0188 -179.9001 0.0021 -179.9825 179.9188 -0.0657 -0.0147 -179.9861 179.9054 -0.0659 0.0043 179.9757 179.9888 -0.0398 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 272 276 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 46 46 46 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= 17766 NPrTT= 90670 LenC2= 15386 LenP2D= 47163. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 284 RedAO= T EigKep= 6.77D-04 NBF= 284 NBsUse= 284 1.00D-06 EigRej= -1.00D+00 NBFU= 284 Using GEDIIS/GDIIS optimizer. local minimum Step number 19 out of a maximum of 272 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00094 0.00373 0.00556 0.00719 0.00754 0.00760 0.00919 0.01165 0.01519 0.01679 0.01965 0.02062 0.02147 0.02154 0.02156 0.02157 0.02157 0.02161 0.02464 0.02981 0.02987 0.03269 0.03403 0.03442 0.04482 0.04506 0.04840 0.04869 0.05067 0.05203 0.05225 0.05540 0.05573 0.05656 0.05787 0.05819 0.05848 0.05934 0.06066 0.06349 0.06427 0.06728 0.06753 0.06842 0.06929 0.06965 0.07531 0.07614 0.07826 0.07887 0.09602 0.09759 0.11182 0.11223 0.11320 0.11552 0.11631 0.11973 0.12461 0.13681 0.15049 0.15817 0.15890 0.15994 0.15999 0.16010 0.18191 0.19657 0.19854 0.21330 0.21530 0.22002 0.22146 0.22197 0.22814 0.23739 0.24467 0.24968 0.25001 0.25051 0.26976 0.28119 0.28205 0.29757 0.30086 0.30211 0.30396 0.30521 0.31806 0.32270 0.33776 0.33926 0.34014 0.34037 0.34040 0.34061 0.34072 0.34095 0.34118 0.34190 0.34211 0.34317 0.34369 0.34405 0.34419 0.34441 0.34454 0.34504 0.35093 0.35153 0.35235 0.35262 0.35434 0.37008 0.37378 0.38236 0.38851 0.40683 0.41005 0.41615 0.42296 0.42782 0.45979 0.46416 0.46498 0.48952 0.50213 0.52017 0.53646 0.87891 0.93998 1.07774 RFO step: Lambda=-3.55198453D-08. 1 2 0.00144451 0.00000091 0.00000058 0.00000004 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 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 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 2.82994 2.80340 2.82992 2.80338 2.81665 2.62881 2.81665 2.62878 2.37146 2.37146 2.92991 2.87908 2.09276 2.92995 2.87911 2.09275 2.92466 2.09232 2.08391 2.92468 2.09232 2.08391 2.91339 2.08526 2.08798 2.91338 2.08526 2.08798 2.10053 2.08496 2.10054 2.08495 2.08998 2.09089 2.08999 2.09088 2.83398 2.83403 2.69154 2.67785 2.67785 2.66491 2.06867 2.66491 2.06867 2.67264 2.06956 2.06955 1.89524 1.89523 2.02151 2.02157 1.84627 1.93548 1.86195 1.96506 1.94219 1.90958 1.84630 1.93545 1.86193 1.96508 1.94220 1.90956 1.80036 1.92420 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0.00027 0.00021 0.00027 0.00023 0.00029 0.00028 0.00024 0.00031 0.00028 0.00023 0.00030 0.00025 0.00021 0.00029 0.00027 0.00023 0.00030 0.00025 0.00021 0.00028 0.00000 0.00000 -0.00002 -0.00002 -0.00006 -0.00007 -0.00007 -0.00008 0.00001 0.00002 0.00001 0.00002 -0.00003 0.00001 -0.00003 0.00001 0.00000 0.00003 0.00000 0.00002 0.00002 0.00000 -0.00001 -0.00004 0.00000 -0.00001 -0.00003 -0.00004 -0.00001 0.00001 0.00002 0.00003 2.82985 2.80325 2.82985 2.80323 2.81656 2.62875 2.81656 2.62874 2.37146 2.37148 2.92994 2.87918 2.09274 2.92997 2.87920 2.09273 2.92467 2.09231 2.08390 2.92467 2.09231 2.08390 2.91338 2.08526 2.08798 2.91338 2.08526 2.08798 2.10053 2.08496 2.10054 2.08495 2.08997 2.09088 2.08997 2.09087 2.83399 2.83398 2.69155 2.67782 2.67782 2.66491 2.06867 2.66491 2.06867 2.67261 2.06955 2.06955 1.89525 1.89524 2.02159 2.02164 1.84633 1.93544 1.86190 1.96509 1.94221 1.90955 1.84635 1.93543 1.86187 1.96511 1.94223 1.90953 1.80042 1.92427 1.95307 1.92271 1.97440 1.88834 1.80045 1.92429 1.95304 1.92272 1.97440 1.88832 1.77562 1.97192 1.92522 1.96792 1.92544 1.89581 1.77560 1.97192 1.92522 1.96792 1.92543 1.89582 1.84225 1.91248 1.87608 1.93450 1.98935 1.90639 1.84222 1.91252 1.87607 1.93447 1.98938 1.90640 1.87560 1.88206 1.89365 1.94977 1.94139 1.91905 1.87561 1.88200 1.89365 1.94974 1.94145 1.91907 2.15783 1.94963 2.17297 2.15783 1.94967 2.17294 2.16494 2.03355 2.08398 2.16497 2.03352 2.08398 2.10747 2.06580 2.10987 2.10747 2.06578 2.10989 2.09107 2.09289 2.09916 2.09107 2.09289 2.09917 -0.07767 -2.21324 1.99199 -0.34643 1.73748 -2.47589 -0.07726 -2.21286 1.99242 -0.34681 1.73708 -2.47628 -2.94632 1.23247 -0.84543 0.19636 -3.02175 -2.94574 1.23312 -0.84477 0.19619 -3.02195 0.46578 -1.58702 2.59361 2.58229 0.52949 -1.57306 -1.54974 2.68065 0.57810 -1.33175 0.72932 2.88104 2.88655 -1.33557 0.81615 0.71728 2.77835 -1.35311 0.46549 -1.58735 2.59332 2.58201 0.52917 -1.57334 -1.55001 2.68034 0.57782 -1.33228 0.72870 2.88048 2.88599 -1.33621 0.81557 0.71670 2.77768 -1.35373 -0.65990 -2.77425 1.38333 1.39400 -0.72036 -2.84596 -2.77331 1.39552 -0.73009 -0.65983 -2.77419 1.38337 1.39411 -0.72024 -2.84587 -2.77322 1.39561 -0.73001 0.62580 -1.44348 2.68054 2.74294 0.67366 -1.48550 -1.41727 2.79664 0.63748 0.62598 -1.44331 2.68070 2.74312 0.67382 -1.48534 -1.41707 2.79682 0.63765 0.66811 -2.43256 -2.55080 0.63172 0.66735 -2.43324 -2.55158 0.63102 0.14027 -3.04344 -3.04336 0.05611 3.06715 -0.06419 -0.03552 3.11633 3.06710 -0.06424 -0.03550 3.11635 -0.00660 -3.13629 3.12448 -0.00521 -0.00662 -3.13630 3.12446 -0.00521 0.02780 -3.12576 -3.12574 0.00389 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000044 0.000010 0.006593 0.001445 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -5.423366e-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 1 1 2 2 3 3 4 4 5 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 14 14 15 15 16 16 17 18 19 19 20 21 21 22 22 23 23 24 7 13 8 14 15 17 16 18 17 18 9 15 25 10 16 26 11 27 28 12 29 30 13 31 32 14 33 34 35 36 37 38 39 40 41 42 19 20 20 21 22 23 43 24 44 24 45 46 1.4975 1.4835 1.4975 1.4835 1.4905 1.3911 1.4905 1.3911 1.2549 1.2549 1.5504 1.5235 1.1074 1.5505 1.5236 1.1074 1.5477 1.1072 1.1028 1.5477 1.1072 1.1028 1.5417 1.1035 1.1049 1.5417 1.1035 1.1049 1.1116 1.1033 1.1116 1.1033 1.106 1.1065 1.106 1.1064 1.4997 1.4997 1.4243 1.4171 1.4171 1.4102 1.0947 1.4102 1.0947 1.4143 1.0952 1.0952 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 7 8 15 16 1 1 1 9 9 15 2 2 2 10 10 16 7 7 7 11 11 27 8 8 8 12 12 29 9 9 9 13 13 31 10 10 10 14 14 33 1 1 1 11 11 35 2 2 2 12 12 37 3 3 3 7 7 39 4 4 4 8 8 41 3 3 5 4 4 6 17 17 20 18 18 19 19 19 23 20 20 24 21 21 24 22 22 23 1 2 3 4 7 7 7 7 7 7 8 8 8 8 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107.8289 108.4989 111.7175 111.2326 109.9543 123.6321 111.7068 124.5037 123.6326 111.7076 124.5022 124.0427 116.5133 119.4031 124.0442 116.5111 119.4037 120.7489 118.3616 120.8868 120.7489 118.3607 120.8878 119.8096 119.9143 120.2725 119.8092 119.9146 120.2726 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 13 13 13 7 7 7 14 14 14 8 8 8 17 17 17 15 15 18 18 18 16 16 1 1 1 15 15 15 25 25 25 1 1 1 9 9 9 25 25 25 2 2 2 16 16 16 26 26 26 2 2 2 10 10 10 26 26 26 7 7 7 27 27 27 28 28 28 8 8 8 29 29 29 30 30 30 9 9 9 31 31 31 32 32 32 10 10 10 33 33 33 34 34 34 3 3 5 5 4 4 6 6 17 17 21 21 17 17 20 20 18 18 19 19 19 19 43 43 20 20 44 44 21 21 45 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 7 7 7 13 13 13 8 8 8 14 14 14 15 15 15 17 17 16 16 16 18 18 9 9 9 9 9 9 9 9 9 15 15 15 15 15 15 15 15 15 10 10 10 10 10 10 10 10 10 16 16 16 16 16 16 16 16 16 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 24 24 24 9 15 25 11 35 36 10 16 26 12 37 38 7 39 40 5 19 8 41 42 6 20 11 27 28 11 27 28 11 27 28 3 39 40 3 39 40 3 39 40 12 29 30 12 29 30 12 29 30 4 41 42 4 41 42 4 41 42 13 31 32 13 31 32 13 31 32 14 33 34 14 33 34 14 33 34 1 35 36 1 35 36 1 35 36 2 37 38 2 37 38 2 37 38 20 21 20 21 19 22 19 22 18 22 18 22 23 43 23 43 24 44 24 44 24 45 24 45 23 46 23 46 22 46 22 -4.5 -126.8563 114.0813 -19.8078 99.595 -141.818 -4.4726 -126.8306 114.1095 -19.8323 99.5697 -141.8427 -168.836 70.5833 -48.471 11.275 -173.108 -168.7843 70.6406 -48.4128 11.2601 -173.1251 26.7258 -90.8859 148.643 147.9927 30.381 -90.0901 -88.7554 153.633 33.1619 -76.259 41.8338 165.1173 165.4356 -76.4716 46.8119 41.1474 159.2402 -77.4763 26.7061 -90.9085 148.6219 147.9727 30.3581 -90.1115 -88.7748 153.6106 33.141 -76.2907 41.7959 165.084 165.4021 -76.5113 46.7768 41.1127 159.1993 -77.5126 -37.8249 -158.9679 79.2469 79.8477 -41.2952 -163.0805 -158.917 79.94 -41.8452 -37.8195 -158.9629 79.2511 79.8572 -41.2862 -163.0722 -158.9091 79.9475 -41.8385 35.8401 -82.7184 153.567 157.1424 38.5839 -85.1308 -81.2193 160.2222 36.5075 35.8516 -82.7079 153.5767 157.1538 38.5942 -85.1211 -81.2065 160.234 36.5186 38.2795 -139.3756 -146.1488 36.196 38.2398 -139.4103 -146.1907 36.1592 8.0362 -174.3776 -174.3723 3.2139 175.7363 -3.6783 -2.0335 178.5519 175.7315 -3.6828 -2.0335 178.5523 -0.3794 -179.6959 179.0203 -0.2962 -0.3795 -179.6957 179.0199 -0.2963 1.5933 -179.093 -179.0927 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 312.1889999999998 AuxInfo=1/0/N:23,24,11,12,9,10,21,22,13,14,15,16,7,8,19,20,17,18,5,6,1,2,3,4/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:1.3,2.3,7.3,8.3,15.3,16.3,17.3,18.3,19.1,20.1/rA:46OOOOO1O1CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s1;s2;s7;s8;s9;s10;s1s11;s2s12;s3s7;s4s8;s3s5;s4s6;s17;s18s19;s19;s20;s21;s22s23;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.870005 0.000000 2.825998 4.326253 0.000000 4.328207 2.834461 3.218256 0.000000 4.801091 3.796886 2.302024 3.455487 0.000000 3.796111 4.802178 3.464804 2.301837 4.840824 0.000000 1.437494 5.128314 2.388980 4.828414 4.209208 4.648494 0.000000 5.128547 1.437625 4.828932 2.400704 4.648064 4.209624 5.721617 0.000000 2.364367 5.661487 3.761459 5.996618 5.177331 5.995630 1.518920 6.413188 0.000000 5.661737 2.364404 5.995124 3.774079 5.995626 5.176551 6.413174 1.518885 6.850827 0.000000 2.370697 6.361610 4.686720 6.542177 6.391586 6.145343 2.343830 6.865645 1.508021 7.076254 0.000000 6.361721 2.370654 6.539113 4.698081 6.146366 6.391352 6.865479 2.343815 7.076071 1.508060 7.468161 0.000000 1.435481 5.565939 4.217431 5.459476 6.052903 4.895781 2.330573 5.800893 2.347341 5.984233 1.513935 6.616631 0.000000 5.566047 1.435500 5.455335 4.226842 4.897578 6.053440 5.800763 2.330653 5.984071 2.347365 6.616607 1.513827 5.957038 0.000000 2.417746 4.201563 1.418922 4.008676 2.718916 4.450018 1.516245 4.983884 2.538483 5.924042 3.701402 6.242896 3.548382 5.023862 0.000000 4.201670 2.417806 4.010708 1.431637 4.448265 2.718859 4.983790 1.516337 5.923978 2.538528 6.242964 3.701440 5.023859 3.548453 4.431303 0.000000 4.092541 4.091868 1.362925 2.951670 1.221247 3.838094 3.656535 4.653250 4.891758 6.013959 5.940434 6.445859 5.461082 5.332198 2.361425 4.057015 0.000000 4.102200 4.106130 2.954551 1.367094 3.825562 1.236576 4.657438 3.674656 6.020789 4.913114 6.456206 5.959064 5.345771 5.476417 4.057697 2.383531 2.923351 0.000000 4.913577 4.915191 2.345989 2.951722 2.384351 3.459921 4.719330 5.120200 6.105268 6.564686 6.988946 7.199937 6.338568 6.288156 3.663041 4.311029 1.484727 2.486097 0.000000 4.912793 4.916152 2.964176 2.334612 3.459786 2.384222 5.118935 4.720920 6.563843 6.106097 7.198004 6.990782 6.285540 6.341051 4.311555 3.662921 2.510485 1.457104 1.394959 0.000000 6.102230 6.103314 3.413112 4.254721 3.044363 4.673251 5.723466 6.374569 7.075549 7.854649 8.047119 8.409673 7.534558 7.447960 4.649699 5.652863 2.477697 3.759734 1.394835 2.415996 0.000000 6.101146 6.104830 4.267901 3.402759 4.672966 3.044417 6.373551 5.725107 7.853922 7.076381 8.407757 8.049008 7.445375 7.537082 5.653596 4.649747 3.786107 2.453932 2.415990 1.394890 2.789601 0.000000 7.094022 7.095948 4.591143 4.922552 4.374541 5.042062 6.868539 7.150239 8.286360 8.630589 9.145201 9.308048 8.526095 8.489567 5.915591 6.337056 3.764609 4.246661 2.416100 2.789802 1.395003 2.415799 0.000000 7.093429 7.096505 4.935620 4.579172 5.041829 4.374497 7.148922 6.869902 8.629709 8.287058 9.305878 9.147129 8.486701 8.528703 6.337544 5.915219 4.274265 3.738529 2.789788 2.416000 2.415980 1.394725 1.394779 0.000000 2.038711 6.063270 2.608891 5.377554 4.616581 4.855020 1.097191 6.586645 2.164685 7.359431 2.765137 7.890668 2.901224 6.833500 2.154618 5.702241 3.909224 4.948283 4.768640 5.206461 5.603966 6.335656 6.666149 6.985981 0.000000 6.062984 2.038611 5.379448 2.617454 4.853773 4.617076 6.586088 1.096967 7.358963 2.164913 7.890400 2.765500 6.833212 2.901352 5.701737 2.154285 4.947505 3.922888 5.207661 4.770425 6.336591 5.605958 6.987383 6.667817 7.393884 0.000000 2.819568 5.021950 4.011741 5.860475 5.021238 6.230170 2.169490 5.902022 1.096725 6.237879 2.141555 6.277224 2.739923 5.145973 2.660379 5.662812 4.953450 6.132806 6.281610 6.753947 7.306959 8.105972 8.572247 8.924049 3.064671 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0.88988 0.76687 0.04422 0.11525 0.03293 1.17421 0.81421 0.72736 0.60606 0.87016 0.92981 0.90304 0.09164 0.23997 0.12685 1.17421 0.81421 0.72741 0.60626 0.86980 0.92993 0.90320 0.09136 0.24011 0.12673 1.17422 0.81423 0.72858 0.59890 0.92855 0.91018 0.86219 0.25302 0.14235 0.07126 1.17422 0.81423 0.72859 0.59888 0.92851 0.91023 0.86218 0.25276 0.14239 0.07122 1.17435 0.81421 0.74812 0.57630 0.75500 0.92060 0.94342 0.06827 0.13995 0.16339 1.17435 0.81421 0.74812 0.57622 0.75485 0.92069 0.94352 0.06815 0.14005 0.16353 1.17430 0.81411 0.74941 0.59934 0.76673 0.95001 0.92095 0.05318 0.13600 0.12132 1.17432 0.81411 0.74985 0.60130 0.76155 0.94899 0.91929 0.05465 0.13593 0.12073 1.17447 0.81373 0.80133 0.24568 0.87388 0.77780 0.85008 0.11091 0.12785 0.10504 1.17448 0.81370 0.80241 0.24505 0.87528 0.77559 0.84781 0.10635 0.13069 0.10497 1.17426 0.81372 0.75785 0.42607 0.92033 0.82626 0.89435 -0.05039 0.13348 -0.09394 1.17423 0.81372 0.75881 0.40951 0.92517 0.83136 0.89887 -0.05732 0.13312 -0.09854 1.17435 0.81397 0.75436 0.53694 0.92004 0.79587 0.91760 0.02654 0.24086 0.21074 1.17435 0.81396 0.75461 0.53649 0.91971 0.79541 0.91734 0.02925 0.23971 0.21060 1.17438 0.81411 0.75733 0.50749 0.94229 0.78519 0.89715 0.11380 0.18994 0.04833 1.17438 0.81411 0.75717 0.50755 0.94231 0.78596 0.89708 0.11268 0.19041 0.04787 0.52175 0.25686 0.52177 0.25658 0.51694 0.26349 0.51687 0.23897 0.51685 0.26334 0.51687 0.23878 0.51692 0.24421 0.51805 0.25153 0.51689 0.24418 0.51802 0.25150 0.52346 0.28525 0.52148 0.25438 0.52344 0.28526 0.52149 0.25448 0.51285 0.24052 0.51641 0.26517 0.51258 0.24027 0.51611 0.26493 0.51776 0.22381 0.51766 0.22309 0.51976 0.24090 0.51973 0.24087 3.5786 -0.0122 -0.0797 3.5795 -106.5143 -120.0058 -150.1670 0.0463 0.0793 11.1556 19.0481 5.5566 -24.6046 0.0463 0.0793 11.1556 -82.5290 0.1954 -0.6409 47.6411 0.2701 0.1162 -9.0717 -0.0940 0.0463 -20.5808 -5364.4889 -3716.8826 -1444.2360 0.2077 -0.2160 0.7693 4.3604 0.8184 11.6854 -1580.7792 -1167.3888 -844.1988 24.9912 0.2754 0.0193 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 312.1889999999998 AuxInfo=1/0/N:23,24,11,12,9,10,21,22,13,14,15,16,7,8,19,20,17,18,5,6,1,2,3,4/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:1.3,2.3,7.3,8.3,15.3,16.3,17.3,18.3,19.1,20.1/rA:46OOOOO1O1CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s1;s2;s7;s8;s9;s10;s1s11;s2s12;s3s7;s4s8;s3s5;s4s6;s17;s18s19;s19;s20;s21;s22s23;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.785580 0.000000 3.051021 3.927867 0.000000 3.926596 3.051351 2.763986 0.000000 5.070942 4.396383 2.333189 3.773766 0.000000 4.396078 5.071334 3.774660 2.333179 5.408778 0.000000 1.497541 4.174319 2.430185 4.318599 4.220103 5.040694 0.000000 4.174264 1.497530 4.319332 2.430201 5.040041 4.219972 4.888736 0.000000 2.430967 4.792151 3.820603 5.671566 5.164678 6.531511 1.550443 5.771291 0.000000 4.793203 2.431002 5.672755 3.820572 6.531183 5.164367 5.772192 1.550465 6.433405 0.000000 2.409200 5.292605 4.835645 6.231282 6.486617 6.772250 2.427176 6.071948 1.547666 6.408917 0.000000 5.293629 2.409155 6.232607 4.835746 6.772338 6.486473 6.072759 2.427222 6.408727 1.547672 6.444474 0.000000 1.483496 4.315175 4.439482 5.176181 6.266551 5.669071 2.420704 4.833359 2.396421 5.046802 1.541698 5.285510 0.000000 4.315733 1.483484 5.177677 4.439658 5.669873 6.266656 4.833888 2.420676 5.046196 2.396407 5.284855 1.541692 4.338312 0.000000 2.488228 3.444894 1.490507 3.561290 2.761302 4.850027 1.523542 4.284498 2.557301 5.455429 3.746279 5.691183 3.566971 4.400658 0.000000 3.444182 2.488205 3.561829 1.490508 4.849427 2.761339 4.284203 1.523558 5.454373 2.557353 5.690008 3.746240 4.399383 3.566737 3.886128 0.000000 4.375055 4.262802 1.391104 2.909637 1.254922 4.234204 3.711105 4.625835 4.947885 6.127215 6.102529 6.632279 5.724588 5.637247 2.441970 4.084497 0.000000 4.261977 4.375559 2.910128 1.391088 4.233925 1.254920 4.625877 3.711043 6.126983 4.947699 6.631699 6.102559 5.636149 5.724888 4.084612 2.441998 3.108305 0.000000 5.241589 5.170633 2.393201 2.927841 2.440493 3.679424 4.812033 5.129080 6.199818 6.635037 7.212084 7.390468 6.688181 6.628695 3.766625 4.353100 1.499680 2.582517 0.000000 5.169744 5.242328 2.928005 2.393218 3.679270 2.440496 5.129062 4.812030 6.634999 6.199680 7.390043 7.212276 6.627723 6.688818 4.353079 3.766687 2.582478 1.499704 1.424304 0.000000 6.542738 6.409473 3.573728 4.273686 2.940108 4.868121 5.942189 6.421714 7.244895 7.948403 8.368614 8.645845 7.981788 7.863645 4.855904 5.732078 2.480813 3.857570 1.417058 2.453261 0.000000 6.408514 6.543452 4.273773 3.573899 4.868034 2.939889 6.421697 5.942162 7.948421 7.244569 8.645399 8.368656 7.862538 7.982329 5.732043 4.855992 3.857545 2.480803 2.453268 1.417057 2.816581 0.000000 7.561606 7.500342 4.744736 5.023723 4.337558 5.136771 7.092959 7.294613 8.468449 8.774365 9.499014 9.617437 9.033980 8.978219 6.125118 6.491560 3.794168 4.332772 2.457674 2.837810 1.410209 2.443742 0.000000 7.499419 7.562429 5.023684 4.744887 5.136821 4.337384 7.294618 7.092940 8.774555 8.468128 9.617145 9.499130 8.977245 9.034709 6.491500 6.125206 4.332767 3.794165 2.837821 2.457672 2.443748 1.410209 1.414300 0.000000 2.102662 5.117381 2.519202 4.685986 4.472616 4.980289 1.107442 5.672174 2.208294 6.614165 2.929059 7.059751 3.091329 5.882935 2.160802 4.837659 3.814018 4.669753 4.711645 5.004501 5.733260 6.170421 6.784312 6.966705 0.000000 5.116873 2.102630 4.685995 2.518972 4.978705 4.472131 5.671621 1.107434 6.612832 2.208315 7.058647 2.929288 5.882179 3.091501 4.837238 2.160801 4.668900 3.813551 5.003819 4.711109 6.169724 5.732805 6.966077 6.783797 6.404046 0.000000 2.946563 4.294815 4.077605 5.718453 5.012737 6.932870 2.195003 5.478156 1.107208 6.102505 2.191445 5.839160 2.799336 4.385051 2.623233 5.457670 5.016922 6.399533 6.388277 6.913117 7.425027 8.288797 8.721570 9.100692 3.085390 6.271431 0.000000 3.354812 5.744735 4.246152 6.445363 5.405978 7.221430 2.212629 6.758887 1.102757 7.500491 2.225303 7.455401 3.380514 6.049189 3.085081 6.394226 5.278809 6.785868 6.531374 7.104809 7.420520 8.370639 8.647383 9.066199 2.435451 7.541009 1.790134 0.000000 4.296604 2.946829 5.720139 4.077600 6.933158 5.012450 5.479810 2.195053 6.103326 1.107206 5.840088 2.191461 4.386302 2.799424 5.459408 2.623224 6.400247 5.016813 6.913471 6.388291 8.289101 7.424741 9.100721 8.721341 6.273465 3.085366 5.905810 7.194567 0.000000 5.745784 3.354735 6.446224 4.245995 7.220471 5.405454 6.759698 2.212618 7.500479 1.102756 7.455740 2.225297 6.049937 3.380473 6.394983 3.085277 6.785585 5.278356 7.104317 6.530804 8.369996 7.419738 9.065374 8.646501 7.542314 2.435352 7.193677 8.562515 1.790118 0.000000 3.370103 5.741460 5.786986 7.085585 7.251485 7.754780 3.407282 6.622367 2.224072 6.785245 1.103474 6.605679 2.215940 5.459033 4.570659 6.437066 6.990481 7.599650 8.173986 8.390710 9.323653 9.674910 10.496567 10.650029 3.982705 7.623583 2.468984 2.741618 6.213659 7.846530 0.000000 2.839285 6.193765 5.188093 6.728051 7.007007 6.929772 2.825886 6.845031 2.191566 7.210764 1.104913 7.392305 2.186527 6.292821 4.304018 6.260579 6.512264 6.916711 7.502593 7.623713 8.610127 8.785441 9.660280 9.731937 2.910892 7.830742 3.092510 2.475091 6.564138 8.215632 1.793628 0.000000 5.742970 3.370104 7.087145 5.787047 7.755173 7.251269 6.623628 3.407312 6.785591 2.224078 6.606244 1.103474 5.460279 2.215945 6.438635 4.570567 7.600445 6.990472 8.391231 8.174172 9.675460 9.323617 10.650350 10.496629 7.625051 3.982908 6.213315 7.846691 2.468961 2.741660 6.618177 7.551954 0.000000 6.194443 2.839118 6.729018 5.188221 6.929339 7.006845 6.845415 2.825962 7.210122 2.191562 7.391973 1.104911 6.293221 2.186516 6.261268 4.304086 6.916910 6.512253 7.623884 7.502666 8.785608 8.610119 9.732023 9.660292 7.831462 2.911213 6.562741 8.214778 3.092498 2.475037 7.551090 8.363302 1.793637 0.000000 2.130987 3.700870 4.790237 5.182358 6.345799 6.017165 3.008531 4.331849 2.836870 4.356222 2.198145 4.364004 1.111552 3.424963 3.791961 4.244456 5.939330 5.887486 6.975499 6.941506 8.294070 8.227411 9.394069 9.362416 3.896935 5.394946 2.800740 3.902080 3.757675 5.400489 2.459736 3.092759 4.459593 5.380338 0.000000 2.098052 5.018867 5.143865 5.596993 7.136937 5.701814 3.275002 5.269676 3.370596 5.285579 2.230895 5.697377 1.103313 4.997404 4.485985 4.686462 6.467377 5.906844 7.267249 7.015303 8.589342 8.142691 9.533315 9.329746 3.711009 6.349589 3.875972 4.248129 4.443278 6.189124 2.778323 2.458876 5.755448 6.760569 1.805720 0.000000 3.701795 2.131007 5.184137 4.790188 6.018533 6.345727 4.332907 3.008316 4.356265 2.836747 4.363741 2.198133 3.425246 1.111556 4.246332 3.791398 5.888924 5.939488 6.942624 6.976100 8.228712 8.294498 9.363487 9.394760 5.396056 3.896904 3.757253 5.400406 2.800709 3.901977 4.458704 5.380246 2.459780 3.092770 2.419375 4.066685 0.000000 5.019041 2.098025 5.598378 5.144209 5.702846 7.137205 5.269764 3.275086 5.284410 3.370628 5.696176 2.230907 4.997045 1.103310 4.687455 4.485844 5.908096 6.467870 7.016539 7.268154 8.144146 8.590225 9.331123 9.534442 6.349875 3.711385 4.441516 6.187690 3.876052 4.248135 5.753631 6.759555 2.778284 2.458936 4.066249 5.773017 1.805723 0.000000 2.637569 2.383979 2.110549 3.226514 2.937200 4.908567 2.188950 3.397907 2.968084 4.539475 3.983057 4.649649 3.537507 3.341670 1.105969 3.333369 2.780283 4.098309 4.086757 4.566935 5.252575 5.983266 6.519175 6.827845 3.073701 3.960743 2.684984 3.712120 4.663474 5.500173 4.662213 4.742451 5.433482 5.178184 3.438288 4.483659 3.320924 3.618491 0.000000 3.442851 4.146895 2.119542 4.440630 2.516230 5.798265 2.183135 5.154164 2.727807 6.349089 4.174307 6.410424 4.340127 5.018076 1.106453 4.902930 2.630089 4.943449 4.073324 4.945414 4.907146 6.283043 6.257057 6.844085 2.634698 5.598032 2.653719 2.910756 6.431199 7.296062 4.885222 4.711182 7.158842 6.889418 4.541405 5.324914 4.906816 5.081738 1.811784 0.000000 2.383277 2.637252 3.227234 2.110504 4.908251 2.937923 3.397671 2.188931 4.538369 2.968432 4.648369 3.983019 3.340197 3.537003 3.333463 1.105973 4.098444 2.780715 4.567233 4.087138 5.983563 5.252979 6.828187 6.519565 3.961284 3.073589 4.661659 5.499420 2.685568 3.712701 5.431782 5.177467 4.662212 4.742427 3.318733 3.617369 3.437482 4.483067 2.918099 4.420700 0.000000 4.146054 3.442814 4.440941 2.119519 5.797519 2.515660 5.153788 2.183221 6.347998 2.727719 6.409146 4.174181 5.016599 4.339765 4.902828 1.106448 4.943126 2.629730 4.945154 4.073053 6.282797 4.906890 6.843838 6.256815 5.598369 2.635030 6.429431 7.295314 2.653176 2.911039 7.157142 6.888652 4.884930 4.711352 4.904671 5.080470 4.540531 5.324724 4.420584 5.943048 1.811803 0.000000 6.892459 6.667335 3.843496 4.954425 2.640293 5.806936 6.086723 6.900173 7.233546 8.447144 8.494051 8.975934 8.270729 8.068126 4.904701 6.368301 2.634913 4.738429 2.163376 3.436235 1.094694 3.911134 2.184489 3.442495 5.908733 6.647534 7.337214 7.295785 8.831004 8.940020 9.393606 8.769160 10.007664 9.076012 8.553617 8.979436 8.440912 8.210220 5.335293 4.709977 6.562016 7.039718 0.000000 6.666310 6.893029 4.954565 3.843732 5.806780 2.639874 6.900126 6.086657 8.447041 7.233079 8.975335 8.493909 8.066820 8.271021 6.368268 4.904783 4.738386 2.634865 3.436233 2.163365 3.911134 1.094694 3.442496 2.184498 6.648267 5.908383 8.830496 8.940585 7.336657 7.294949 10.006893 9.075768 9.393312 8.769061 8.439297 8.208559 8.553683 8.980070 6.561748 7.039940 5.335692 4.709713 5.005581 0.000000 8.558812 8.460970 5.674198 6.086218 5.011131 6.212733 7.993470 8.309381 9.312311 9.802806 10.407278 10.597953 10.023940 9.933027 6.998267 7.563092 4.654186 5.427239 3.447230 3.932916 2.174506 3.438212 1.095162 2.182030 7.646684 7.931288 9.553397 9.406650 10.163041 10.082322 11.395294 10.548379 11.645478 10.663693 10.392592 10.550143 10.342370 10.221527 7.424354 7.007770 7.903286 7.924098 2.518350 4.352840 0.000000 8.460012 8.559609 6.086174 5.674403 6.212789 5.010883 8.309386 7.993441 9.803008 9.311896 10.597636 10.407307 9.931973 10.024600 7.563031 6.998369 5.427235 4.654175 3.932926 3.447230 3.438217 2.174508 2.182030 1.095161 7.931930 7.646221 10.163007 10.083207 9.553010 9.405672 11.645120 10.663605 11.395223 10.548344 10.341181 10.220032 10.393167 10.551233 7.902951 7.924338 7.424758 7.007541 4.352834 2.518369 2.518476 0.000000 0.3210738 0.1623349 0.1352086 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= 268 270 270 271 271 MxSgAt= 46 MxSgA2= 46. 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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= 17766 NPrTT= 90670 LenC2= 15433 LenP2D= 47484. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 284 RedAO= T EigKep= 7.24D-04 NBF= 284 NBsUse= 284 1.00D-06 EigRej= -1.00D+00 NBFU= 284 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= 269 270 271 271 272 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -1148.51577600648 -1148.65100113528 -0.135225128804 -1148.74457500668 -0.093573871397 -1148.07451489463 0.670060112048 -1148.91327993758 -0.838765042951 -1148.96276519856 -0.049485260982 -1148.96672568023 -0.003960481668 -1148.96710099095 -0.000375310720 -1148.96714444017 -0.000043449223 -1148.96715047011 -0.000006029939 -1148.96706150621 0.000088963907 -1148.96706765985 -0.000006153644 -1148.96706647720 0.000001182646 -1148.96706789713 -0.000001419924 -1148.96706793036 -0.000000033233 -1148.96706793203 -0.000000001671 -1148.96706793221 -0.000000000175 -1148.96706793223 -0.000000000023 -1148.96706793225 -0.000000000019 -1148.96706793 19 1.145450639439e+03 -7.023926571491e+03 2.561193520870e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 264018 IEndB= 264018 NGot= 402653184 MDV= 402486747 LenX= 402486747 LenY= 402405650 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. 1.40791515e+00 -4.79630097e-03 -3.13536167e-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 8 8 8 8 8 8 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 -0.015031952 0.018170332 0.013717327 -0.014949094 -0.018155250 -0.013789692 -0.017625479 -0.006101934 0.020599004 -0.013400750 0.007863567 -0.020042986 0.015419100 0.008410795 -0.043908214 0.007119866 -0.002521118 0.025664600 -0.017639462 -0.002724943 -0.014409249 -0.018770566 0.002162573 0.014065327 0.001936515 -0.002586739 -0.017005641 0.001965902 0.002424437 0.017191893 0.010457656 -0.014223370 0.006943446 0.010449009 0.014252009 -0.006933482 0.016963503 0.005950560 0.016731431 0.016961265 -0.006044481 -0.016746206 0.028400377 -0.006541906 -0.006007244 0.020776581 0.003068129 0.004460417 -0.023012988 0.005653948 0.023665518 0.003492838 -0.005001990 0.002414141 0.003889021 -0.005213014 -0.006288562 -0.007557719 0.001206138 -0.000165195 -0.005072601 -0.003127643 -0.009810623 -0.006394815 0.002944626 0.009806911 -0.009060655 -0.002798257 -0.005833604 -0.009153620 0.002846873 0.005801042 -0.006900933 -0.008130406 -0.003573817 -0.006878829 0.008286338 0.003502347 0.001358210 0.005730939 -0.004743988 -0.000743594 -0.004314702 -0.004036961 0.001319958 -0.005655491 0.004710660 -0.000759541 0.004327539 0.004059889 0.006125820 -0.000364828 -0.000255780 -0.000581867 -0.006006408 0.002301701 0.006103787 0.000365018 0.000278019 -0.000569555 0.005990523 -0.002279255 0.008695958 0.006546037 0.001281831 -0.000954086 -0.000789275 0.007500034 0.008685390 -0.006525733 -0.001265213 -0.000924151 0.000806967 -0.007504378 0.005241315 0.004193373 -0.003413205 0.000421448 -0.002201455 -0.007743487 0.005074243 -0.004176004 0.003473768 0.000355617 0.002028275 0.007642660 0.002500104 -0.001878223 -0.004925084 0.002706089 0.001863769 0.004878396 -0.005238262 -0.001626461 -0.003011994 -0.005199053 0.001616865 0.003003498 0.043908214 0.010067307 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1149.00421061991 -1149.00422492595 -0.000014306047 -1149.00422470667 0.000000219286 -1149.00422499585 -0.000000289181 -1149.00422500456 -0.000000008717 -1149.00422500933 -0.000000004765 -1149.00422500977 -0.000000000443 -1149.00422500981 -0.000000000035 -1149.00422500977 0.000000000035 -1149.00422501 9 1.143558663949e+03 -7.010883259492e+03 2.555986735475e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 264018 IEndB= 264018 NGot= 402653184 MDV= 402486747 LenX= 402486747 LenY= 402405650 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 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 -18.794583 -18.794577 -18.755815 -18.755814 -18.750308 -18.750306 -10.021794 -10.021767 -9.951119 -9.951116 -9.944222 -9.944216 -9.940935 -9.940926 -9.933522 -9.933243 -9.919515 -9.919215 -9.917822 -9.917806 -9.910185 -9.910184 -9.909165 -9.909163 -1.000702 -0.995403 -0.929755 -0.928951 -0.919188 -0.917655 -0.794306 -0.724217 -0.723040 -0.713784 -0.705285 -0.692961 -0.692549 -0.630787 -0.625383 -0.584605 -0.566283 -0.543845 -0.543137 -0.528423 -0.521092 -0.511673 -0.500125 -0.476720 -0.457212 -0.453887 -0.448554 -0.435048 -0.432470 -0.431408 -0.419380 -0.409238 -0.403011 -0.399672 -0.395646 -0.389304 -0.379765 -0.374749 -0.373619 -0.369478 -0.362827 -0.361223 -0.343124 -0.334640 -0.334324 -0.322363 -0.321091 -0.319693 -0.317771 -0.317063 -0.314679 -0.302601 -0.299122 -0.294448 -0.293159 -0.268633 -0.268577 -0.252745 -0.241981 -0.241064 -0.233596 -0.219280 -0.214895 -0.202290 -0.195195 -0.085840 -0.061391 -0.015642 -0.000191 0.049831 0.050294 0.052201 0.062486 0.067880 0.078189 0.089969 0.097232 0.097810 0.102101 0.104594 0.111985 0.115344 0.122826 0.125338 0.126244 0.132082 0.135319 0.138502 0.140236 0.148115 0.151936 0.156786 0.161228 0.163685 0.167060 0.180126 0.185420 0.187989 0.191799 0.196337 0.199141 0.207558 0.209682 0.214788 0.217251 0.221130 0.223916 0.233362 0.240958 0.251945 0.254166 0.256160 0.263157 0.263518 0.270155 0.271485 0.280296 0.286213 0.289188 0.291425 0.300713 0.302615 0.305592 0.323209 0.323319 0.327996 0.331396 0.333767 0.335339 0.348225 0.351760 0.358351 0.360577 0.366233 0.367453 0.374595 0.380530 0.387401 0.391575 0.396047 0.403715 0.406155 0.409168 0.418164 0.418604 0.423387 0.425841 0.438670 0.445888 0.447303 0.453747 0.459510 0.464928 0.465689 0.479199 0.480587 0.491851 0.492007 0.497585 0.505120 0.514190 0.533627 0.566685 0.567096 0.573567 0.575056 0.592031 0.613203 0.617161 0.640278 0.680968 0.684465 0.691684 0.715315 0.726968 0.760194 0.762326 0.796422 0.819095 0.849193 0.856239 0.864670 0.870853 0.872454 0.883646 0.894535 0.910698 0.917590 0.920305 0.932861 0.941714 0.949087 0.953536 0.961851 0.969740 0.990643 0.998750 1.001321 1.002586 1.017506 1.023392 1.036492 1.059769 1.069032 1.083965 1.095016 1.108387 1.109467 1.126136 1.128294 1.133556 1.144733 1.144902 1.175087 1.190861 1.196414 1.205291 1.215225 1.219234 1.275096 1.275653 1.289070 1.291548 1.297436 1.301272 1.329084 1.398043 1.425080 1.462649 1.467337 1.654621 1.696001 1.756042 1.761247 1.776586 1.828302 22.287153 22.455025 22.458252 22.488354 22.517027 22.534575 22.560495 22.570457 22.585879 22.595713 22.598897 22.629266 22.634250 22.650755 22.656211 22.676780 22.693256 22.776951 41.511078 41.520413 41.547049 41.551035 41.557090 41.593081 29.115238 29.115272 29.118095 29.118143 29.117038 29.117049 15.953898 15.956896 15.959176 15.959196 15.959136 15.959682 15.956903 15.956907 15.952762 15.953017 15.955533 15.955742 15.953271 15.955324 15.957114 15.957121 15.957346 15.957349 2.454328 2.507104 2.413453 2.409952 2.752714 2.778218 1.529667 1.638287 1.638629 1.575699 1.602711 1.611786 1.610931 1.694284 1.654914 1.646849 1.578453 1.419797 1.429923 1.531801 1.647665 1.445501 1.660230 1.576060 1.110273 1.104574 1.455412 1.205347 1.384821 1.376892 1.317052 1.407667 1.450723 1.651804 1.813089 1.357443 1.372806 1.491134 1.590586 1.723852 1.422465 1.456254 1.286612 1.488480 1.402127 1.316315 1.426630 1.377168 1.489416 1.391505 1.517848 1.219224 1.255269 2.135939 2.111587 2.196629 2.204848 2.196697 1.449664 1.430258 2.385860 2.263897 2.357253 2.196666 2.261080 1.852094 1.675866 2.079378 1.993475 1.641911 1.931934 2.022096 1.653983 1.437573 1.279817 1.552000 1.614781 1.721160 1.506470 1.513987 1.218272 1.189177 1.394564 1.547516 1.435792 1.231808 1.380225 1.444436 1.370288 1.363885 1.385244 1.340965 1.371849 1.228719 1.242260 1.530179 2.296089 1.803588 1.506032 1.347320 1.247326 1.438831 1.557724 1.314333 1.400835 1.246073 1.740138 1.609940 1.772420 1.584766 1.682735 1.874195 1.591084 1.351962 1.528080 1.582578 1.412764 1.467385 1.748882 1.542885 1.296128 1.947342 1.923516 1.643664 1.561156 1.814917 1.647706 1.651782 1.712570 2.025359 2.118129 1.974968 1.864160 1.625611 2.103598 1.817265 2.070091 1.633916 1.942036 1.740398 1.727180 1.860809 1.568590 1.894039 1.939330 2.241146 2.022586 2.221383 2.413300 2.299249 2.098025 2.145902 2.297648 1.952639 1.916867 1.746064 1.865781 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AuxInfo=1/0/N:23,24,11,12,9,10,21,22,13,14,15,16,7,8,19,20,17,18,5,6,1,2,3,4/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:1.3,2.3,7.3,8.3,15.3,16.3,17.3,18.3,19.1,20.1/rA:46OOOOO1O1CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s1;s2;s7;s8;s9;s10;s1s11;s2s12;s3s7;s4s8;s3s5;s4s6;s17;s18s19;s19;s20;s21;s22s23;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2021 CBGUSER 000102991 EM64L-G09RevD.01 30-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 132 C1[X(C18H22O6)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 312.1889999999998 0 1 AuxInfo=1/0/N:23,24,11,12,9,10,21,22,13,14,15,16,7,8,19,20,17,18,5,6,1,2,3,4/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:1.3,2.3,7.3,8.3,15.3,16.3,17.3,18.3,19.1,20.1/rA:46OOOOO1O1CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s1;s2;s7;s8;s9;s10;s1s11;s2s12;s3s7;s4s8;s3s5;s4s6;s17;s18s19;s19;s20;s21;s22s23;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-19940.inp" -scrdir="/scratch/" chk=000102991-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 000102991 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 16 16 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 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 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000385 0.000097 0.083808 0.025533 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.896984e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2162.3336266953 284 664 284 89 89 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 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 0 312.1889999999998 AuxInfo=1/0/N:23,24,11,12,9,10,21,22,13,14,15,16,7,8,19,20,17,18,5,6,1,2,3,4/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:1.3,2.3,7.3,8.3,15.3,16.3,17.3,18.3,19.1,20.1/rA:46OOOOO1O1CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s1;s2;s7;s8;s9;s10;s1s11;s2s12;s3s7;s4s8;s3s5;s4s6;s17;s18s19;s19;s20;s21;s22s23;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.785580 0.000000 3.051021 3.927867 0.000000 3.926596 3.051351 2.763986 0.000000 5.070942 4.396383 2.333189 3.773766 0.000000 4.396077 5.071333 3.774660 2.333178 5.408778 0.000000 1.497542 4.174319 2.430184 4.318600 4.220103 5.040694 0.000000 4.174264 1.497531 4.319332 2.430201 5.040042 4.219971 4.888736 0.000000 2.430968 4.792151 3.820603 5.671567 5.164679 6.531511 1.550443 5.771291 0.000000 4.793203 2.431002 5.672755 3.820572 6.531183 5.164367 5.772193 1.550465 6.433405 0.000000 2.409200 5.292605 4.835645 6.231283 6.486618 6.772250 2.427176 6.071948 1.547666 6.408917 0.000000 5.293629 2.409155 6.232607 4.835746 6.772338 6.486472 6.072759 2.427222 6.408727 1.547672 6.444474 0.000000 1.483496 4.315175 4.439481 5.176182 6.266552 5.669070 2.420705 4.833358 2.396421 5.046802 1.541699 5.285510 0.000000 4.315733 1.483484 5.177677 4.439658 5.669873 6.266656 4.833888 2.420676 5.046196 2.396407 5.284855 1.541692 4.338312 0.000000 2.488228 3.444894 1.490507 3.561290 2.761302 4.850027 1.523542 4.284497 2.557301 5.455429 3.746279 5.691183 3.566971 4.400658 0.000000 3.444182 2.488205 3.561829 1.490508 4.849427 2.761338 4.284203 1.523558 5.454373 2.557354 5.690008 3.746240 4.399383 3.566737 3.886128 0.000000 4.375056 4.262801 1.391105 2.909638 1.254922 4.234204 3.711105 4.625835 4.947885 6.127215 6.102529 6.632279 5.724588 5.637247 2.441969 4.084497 0.000000 4.261977 4.375558 2.910128 1.391087 4.233924 1.254921 4.625878 3.711042 6.126983 4.947699 6.631699 6.102558 5.636149 5.724888 4.084612 2.441997 3.108305 0.000000 5.241589 5.170632 2.393201 2.927841 2.440492 3.679425 4.812033 5.129080 6.199818 6.635037 7.212084 7.390468 6.688181 6.628694 3.766625 4.353100 1.499680 2.582517 0.000000 5.169744 5.242328 2.928005 2.393218 3.679270 2.440496 5.129062 4.812029 6.634998 6.199680 7.390043 7.212276 6.627723 6.688818 4.353078 3.766687 2.582478 1.499704 1.424304 0.000000 6.542739 6.409473 3.573729 4.273686 2.940108 4.868121 5.942188 6.421714 7.244895 7.948403 8.368615 8.645845 7.981788 7.863645 4.855904 5.732077 2.480814 3.857570 1.417058 2.453261 0.000000 6.408514 6.543451 4.273773 3.573899 4.868034 2.939890 6.421697 5.942162 7.948421 7.244569 8.645399 8.368656 7.862538 7.982329 5.732042 4.855992 3.857545 2.480803 2.453267 1.417057 2.816580 0.000000 7.561607 7.500342 4.744737 5.023723 4.337558 5.136771 7.092959 7.294612 8.468450 8.774365 9.499015 9.617437 9.033981 8.978219 6.125118 6.491560 3.794169 4.332772 2.457674 2.837810 1.410209 2.443742 0.000000 7.499419 7.562429 5.023684 4.744886 5.136821 4.337385 7.294617 7.092940 8.774555 8.468128 9.617145 9.499130 8.977245 9.034710 6.491499 6.125206 4.332767 3.794165 2.837821 2.457672 2.443748 1.410208 1.414300 0.000000 2.102662 5.117381 2.519200 4.685986 4.472616 4.980288 1.107441 5.672173 2.208294 6.614164 2.929060 7.059751 3.091329 5.882935 2.160802 4.837659 3.814018 4.669753 4.711644 5.004500 5.733259 6.170420 6.784311 6.966704 0.000000 5.116872 2.102630 4.685995 2.518972 4.978704 4.472131 5.671621 1.107434 6.612832 2.208315 7.058647 2.929287 5.882178 3.091500 4.837237 2.160802 4.668900 3.813550 5.003819 4.711109 6.169724 5.732805 6.966077 6.783797 6.404045 0.000000 2.946563 4.294814 4.077605 5.718453 5.012738 6.932869 2.195003 5.478156 1.107208 6.102504 2.191445 5.839159 2.799336 4.385051 2.623233 5.457670 5.016922 6.399533 6.388277 6.913117 7.425028 8.288797 8.721571 9.100692 3.085390 6.271430 0.000000 3.354812 5.744734 4.246151 6.445363 5.405978 7.221430 2.212629 6.758887 1.102756 7.500491 2.225304 7.455400 3.380514 6.049188 3.085081 6.394225 5.278809 6.785867 6.531374 7.104808 7.420520 8.370638 8.647383 9.066198 2.435452 7.541008 1.790134 0.000000 4.296604 2.946829 5.720139 4.077600 6.933158 5.012449 5.479810 2.195053 6.103326 1.107206 5.840088 2.191461 4.386302 2.799424 5.459408 2.623225 6.400248 5.016813 6.913471 6.388291 8.289101 7.424741 9.100721 8.721342 6.273464 3.085367 5.905810 7.194566 0.000000 5.745783 3.354735 6.446224 4.245995 7.220471 5.405453 6.759698 2.212618 7.500479 1.102756 7.455739 2.225297 6.049936 3.380473 6.394983 3.085277 6.785585 5.278355 7.104316 6.530804 8.369996 7.419738 9.065374 8.646501 7.542313 2.435352 7.193676 8.562514 1.790118 0.000000 3.370103 5.741460 5.786986 7.085586 7.251486 7.754780 3.407283 6.622367 2.224072 6.785244 1.103474 6.605679 2.215940 5.459032 4.570659 6.437066 6.990481 7.599650 8.173986 8.390709 9.323653 9.674910 10.496568 10.650029 3.982705 7.623582 2.468984 2.741618 6.213658 7.846529 0.000000 2.839286 6.193765 5.188093 6.728052 7.007007 6.929772 2.825887 6.845031 2.191567 7.210765 1.104913 7.392306 2.186528 6.292822 4.304018 6.260580 6.512264 6.916711 7.502593 7.623713 8.610127 8.785441 9.660280 9.731938 2.910892 7.830742 3.092510 2.475091 6.564138 8.215632 1.793629 0.000000 5.742970 3.370104 7.087145 5.787048 7.755173 7.251269 6.623629 3.407312 6.785591 2.224078 6.606244 1.103475 5.460279 2.215945 6.438636 4.570569 7.600446 6.990473 8.391231 8.174173 9.675461 9.323617 10.650351 10.496630 7.625051 3.982908 6.213315 7.846691 2.468961 2.741660 6.618178 7.551955 0.000000 6.194443 2.839118 6.729019 5.188222 6.929339 7.006844 6.845415 2.825963 7.210122 2.191562 7.391973 1.104911 6.293221 2.186516 6.261269 4.304087 6.916910 6.512252 7.623884 7.502666 8.785608 8.610119 9.732024 9.660292 7.831462 2.911213 6.562741 8.214778 3.092498 2.475037 7.551090 8.363303 1.793637 0.000000 2.130987 3.700870 4.790236 5.182359 6.345799 6.017165 3.008531 4.331849 2.836870 4.356222 2.198144 4.364004 1.111551 3.424963 3.791962 4.244456 5.939330 5.887486 6.975499 6.941506 8.294070 8.227411 9.394070 9.362416 3.896935 5.394946 2.800740 3.902079 3.757675 5.400489 2.459735 3.092759 4.459594 5.380339 0.000000 2.098051 5.018866 5.143864 5.596993 7.136938 5.701814 3.275002 5.269675 3.370596 5.285579 2.230895 5.697377 1.103312 4.997403 4.485985 4.686462 6.467377 5.906844 7.267249 7.015303 8.589342 8.142690 9.533315 9.329745 3.711009 6.349588 3.875971 4.248129 4.443277 6.189123 2.778323 2.458877 5.755448 6.760569 1.805719 0.000000 3.701794 2.131007 5.184136 4.790188 6.018533 6.345726 4.332908 3.008316 4.356265 2.836747 4.363741 2.198133 3.425246 1.111556 4.246332 3.791398 5.888923 5.939487 6.942624 6.976100 8.228711 8.294497 9.363487 9.394760 5.396056 3.896903 3.757252 5.400405 2.800709 3.901977 4.458703 5.380246 2.459781 3.092771 2.419375 4.066684 0.000000 5.019040 2.098025 5.598378 5.144209 5.702845 7.137204 5.269764 3.275086 5.284409 3.370627 5.696176 2.230907 4.997045 1.103310 4.687455 4.485844 5.908095 6.467869 7.016538 7.268153 8.144146 8.590224 9.331123 9.534442 6.349874 3.711384 4.441516 6.187689 3.876051 4.248135 5.753630 6.759555 2.778284 2.458937 4.066249 5.773016 1.805722 0.000000 2.637569 2.383979 2.110549 3.226515 2.937201 4.908567 2.188950 3.397908 2.968084 4.539475 3.983057 4.649649 3.537507 3.341670 1.105968 3.333369 2.780283 4.098309 4.086757 4.566935 5.252575 5.983266 6.519176 6.827845 3.073701 3.960743 2.684984 3.712119 4.663474 5.500173 4.662212 4.742452 5.433482 5.178184 3.438288 4.483658 3.320923 3.618490 0.000000 3.442852 4.146895 2.119542 4.440630 2.516229 5.798265 2.183135 5.154164 2.727808 6.349089 4.174309 6.410424 4.340128 5.018076 1.106453 4.902930 2.630088 4.943449 4.073324 4.945414 4.907145 6.283043 6.257057 6.844085 2.634699 5.598031 2.653720 2.910757 6.431199 7.296062 4.885222 4.711183 7.158842 6.889418 4.541406 5.324915 4.906816 5.081737 1.811783 0.000000 2.383277 2.637252 3.227234 2.110504 4.908251 2.937923 3.397672 2.188930 4.538369 2.968432 4.648369 3.983019 3.340197 3.537003 3.333463 1.105972 4.098444 2.780714 4.567232 4.087137 5.983563 5.252978 6.828187 6.519565 3.961283 3.073589 4.661659 5.499420 2.685568 3.712700 5.431782 5.177467 4.662212 4.742427 3.318734 3.617369 3.437482 4.483067 2.918099 4.420700 0.000000 4.146054 3.442814 4.440941 2.119519 5.797519 2.515659 5.153789 2.183220 6.347999 2.727720 6.409146 4.174181 5.016599 4.339765 4.902828 1.106448 4.943126 2.629729 4.945154 4.073053 6.282797 4.906890 6.843838 6.256814 5.598368 2.635030 6.429431 7.295314 2.653176 2.911039 7.157142 6.888653 4.884931 4.711352 4.904672 5.080470 4.540531 5.324723 4.420585 5.943048 1.811803 0.000000 6.892460 6.667334 3.843497 4.954425 2.640293 5.806936 6.086722 6.900173 7.233546 8.447144 8.494051 8.975934 8.270729 8.068126 4.904701 6.368300 2.634913 4.738428 2.163376 3.436234 1.094694 3.911133 2.184489 3.442495 5.908733 6.647534 7.337214 7.295785 8.831004 8.940020 9.393606 8.769160 10.007664 9.076012 8.553617 8.979436 8.440912 8.210220 5.335293 4.709976 6.562015 7.039717 0.000000 6.666310 6.893028 4.954564 3.843731 5.806780 2.639874 6.900126 6.086656 8.447041 7.233079 8.975335 8.493908 8.066819 8.271020 6.368267 4.904781 4.738386 2.634864 3.436233 2.163365 3.911133 1.094694 3.442497 2.184498 6.648266 5.908383 8.830495 8.940585 7.336656 7.294948 10.006893 9.075768 9.393312 8.769061 8.439297 8.208559 8.553682 8.980069 6.561748 7.039939 5.335691 4.709712 5.005581 0.000000 8.558813 8.460970 5.674199 6.086218 5.011131 6.212733 7.993470 8.309381 9.312311 9.802806 10.407279 10.597953 10.023940 9.933028 6.998267 7.563092 4.654186 5.427239 3.447231 3.932916 2.174506 3.438212 1.095162 2.182029 7.646684 7.931289 9.553398 9.406651 10.163041 10.082322 11.395294 10.548379 11.645478 10.663693 10.392593 10.550143 10.342370 10.221527 7.424355 7.007770 7.903286 7.924098 2.518350 4.352840 0.000000 8.460012 8.559609 6.086174 5.674403 6.212789 5.010884 8.309385 7.993440 9.803007 9.311895 10.597636 10.407307 9.931972 10.024599 7.563030 6.998368 5.427235 4.654175 3.932926 3.447230 3.438217 2.174508 2.182030 1.095161 7.931929 7.646221 10.163006 10.083206 9.553010 9.405672 11.645120 10.663605 11.395224 10.548344 10.341181 10.220031 10.393166 10.551233 7.902951 7.924338 7.424758 7.007540 4.352834 2.518369 2.518475 0.000000 C18H22O6 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 0 312.1889999999998 AuxInfo=1/0/N:23,24,11,12,9,10,21,22,13,14,15,16,7,8,19,20,17,18,5,6,1,2,3,4/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:1.3,2.3,7.3,8.3,15.3,16.3,17.3,18.3,19.1,20.1/rA:46OOOOO1O1CCCCCCCCCCC3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s1;s2;s7;s8;s9;s10;s1s11;s2s12;s3s7;s4s8;s3s5;s4s6;s17;s18s19;s19;s20;s21;s22s23;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3210738 0.1623350 0.1352086 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= 17766 NPrTT= 90670 LenC2= 15433 LenP2D= 47484. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 284 RedAO= T EigKep= 7.24D-04 NBF= 284 NBsUse= 284 1.00D-06 EigRej= -1.00D+00 NBFU= 284 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= 272 273 274 274 274 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -1148.58621976588 -1148.70174144931 -0.115521683433 -1148.74924112465 -0.047499675338 -1148.24213343027 0.507107694381 -1148.96959057519 -0.727457144924 -1149.00092488402 -0.031334308826 -1149.00418635839 -0.003261474377 -1149.00427778011 -0.000091421714 -1149.00429820047 -0.000020420366 -1149.00434901582 -0.000050815347 -1149.00434857625 0.000000439567 -1149.00434949537 -0.000000919122 -1149.00434958422 -0.000000088842 -1149.00434968141 -0.000000097189 -1149.00434968537 -0.000000003969 -1149.00434968543 -0.000000000055 -1149.00434968547 -0.000000000039 -1149.00434968547 0.000000000000 -1149.00434969 18 1.143558141972e+03 -7.010882739967e+03 2.555986621614e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=830769595. IVT= 264490 IEndB= 264490 NGot= 939524096 MDV= 120328922 LenX= 120328922 LenY= 120247825 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= 40470 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= 46. Will process 47 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 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= 939523348 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=830518655. 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= 40470 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 1.74D-14 1.00D-09 XBig12= 3.73D+02 8.37D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 1.74D-14 1.00D-09 XBig12= 2.24D+02 3.86D+00. 138 vectors produced by pass 2 Test12= 1.74D-14 1.00D-09 XBig12= 5.06D-01 9.75D-02. 138 vectors produced by pass 3 Test12= 1.74D-14 1.00D-09 XBig12= 3.48D-04 1.77D-03. 84 vectors produced by pass 4 Test12= 1.74D-14 1.00D-09 XBig12= 4.67D-08 1.76D-05. 7 vectors produced by pass 5 Test12= 1.74D-14 1.00D-09 XBig12= 7.38D-12 2.03D-07. 3 vectors produced by pass 6 Test12= 1.74D-14 1.00D-09 XBig12= 2.01D-15 2.93D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 646 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 211.68 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 277.412 -0.008 172.179 -0.001 -23.432 185.453 423.961 -0.012 266.333 0.001 -64.390 394.216 (Enter /mnt/data/applications/G09/g09/l716.exe) PT5613S 2017-07-30T09:33:04.000+02:00 -18.79458 -18.79457 -18.75585 -18.75585 -18.75031 -18.75031 -10.02180 -10.02177 -9.95113 -9.95112 -9.94424 -9.94423 -9.94093 -9.94092 -9.93350 -9.93322 -9.91950 -9.91920 -9.91780 -9.91779 -9.91019 -9.91019 -9.90918 -9.90918 -1.00070 -0.99540 -0.92976 -0.92896 -0.91919 -0.91766 -0.79430 -0.72422 -0.72305 -0.71379 -0.70528 -0.69296 -0.69255 -0.63079 -0.62538 -0.58460 -0.56628 -0.54385 -0.54315 -0.52842 -0.52109 -0.51167 -0.50012 -0.47672 -0.45723 -0.45390 -0.44855 -0.43505 -0.43246 -0.43141 -0.41938 -0.40924 -0.40301 -0.39967 -0.39564 -0.38930 -0.37977 -0.37475 -0.37362 -0.36948 -0.36283 -0.36123 -0.34312 -0.33464 -0.33433 -0.32235 -0.32109 -0.31970 -0.31777 -0.31707 -0.31468 -0.30260 -0.29912 -0.29445 -0.29316 -0.26864 -0.26859 -0.25274 -0.24198 -0.24106 -0.23359 -0.21928 -0.21489 -0.20231 -0.19521 -0.08583 -0.06138 -0.01564 -0.00018 0.04980 0.05025 0.05218 0.06247 0.06788 0.07817 0.08995 0.09723 0.09780 0.10212 0.10460 0.11198 0.11533 0.12281 0.12534 0.12624 0.13209 0.13532 0.13849 0.14022 0.14810 0.15194 0.15679 0.16122 0.16366 0.16705 0.18013 0.18542 0.18798 0.19178 0.19634 0.19913 0.20755 0.20968 0.21478 0.21723 0.22113 0.22391 0.23337 0.24096 0.25195 0.25417 0.25618 0.26320 0.26347 0.27018 0.27145 0.28025 0.28622 0.28924 0.29146 0.30068 0.30259 0.30559 0.32319 0.32332 0.32801 0.33139 0.33370 0.33538 0.34821 0.35175 0.35834 0.36056 0.36623 0.36748 0.37458 0.38053 0.38738 0.39155 0.39604 0.40372 0.40613 0.40915 0.41814 0.41865 0.42339 0.42585 0.43867 0.44591 0.44726 0.45376 0.45951 0.46497 0.46570 0.47915 0.48054 0.49183 0.49198 0.49755 0.50507 0.51416 0.53361 0.56666 0.56706 0.57354 0.57503 0.59194 0.61320 0.61713 0.64031 0.68096 0.68447 0.69162 0.71529 0.72697 0.76019 0.76230 0.79637 0.81910 0.84918 0.85624 0.86469 0.87083 0.87245 0.88364 0.89455 0.91067 0.91759 0.92028 0.93285 0.94170 0.94907 0.95356 0.96186 0.96973 0.99064 0.99876 1.00130 1.00258 1.01756 1.02345 1.03647 1.05977 1.06904 1.08402 1.09502 1.10839 1.10947 1.12614 1.12829 1.13357 1.14475 1.14490 1.17511 1.19093 1.19640 1.20531 1.21524 1.21933 1.27508 1.27564 1.28908 1.29156 1.29743 1.30126 1.32910 1.39803 1.42510 1.46264 1.46735 1.65459 1.69600 1.75605 1.76124 1.77657 1.82830 22.28716 22.45502 22.45824 22.48836 22.51702 22.53457 22.56050 22.57047 22.58587 22.59570 22.59891 22.62927 22.63425 22.65074 22.65620 22.67679 22.69327 22.77697 41.51108 41.52041 41.54702 41.55102 41.55707 41.59308 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 O O O O O O 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 -0.278108 -0.278092 -0.266808 -0.266848 -0.247148 -0.247192 -0.021528 -0.021556 -0.485128 -0.485172 -0.454425 -0.454391 -0.288405 -0.288427 -0.306412 -0.306467 0.178055 0.178134 0.176531 0.176338 -0.365456 -0.365426 -0.223381 -0.223381 0.226358 0.226396 0.221889 0.239987 0.221897 0.239991 0.228060 0.228688 0.228051 0.228696 0.181555 0.225409 0.181536 0.225416 0.294883 0.231521 0.294918 0.231561 0.267361 0.267380 0.236569 0.236571 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 O O O O O O C C C C C C C C C C C C C C C C C C -0.278108 -0.278092 -0.266808 -0.266848 -0.247148 -0.247192 0.204830 0.204839 -0.023252 -0.023284 0.002323 0.002355 0.118559 0.118525 0.219992 0.220011 0.178055 0.178134 0.176531 0.176338 -0.098095 -0.098046 0.013188 0.013189 0.00000 -1.48394294e+00 1.00283633e-04 1.00611209e-04 2.77411706e+02 -7.87180011e-03 1.72178899e+02 -8.66323406e-04 -2.34320513e+01 1.85452972e+02 -0.0010 -0.0007 -0.0005 3.6159 8.6559 10.2477 31.0714 37.4171 37.9946 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 30.8731 37.3268 37.9881 42.5868 42.6180 58.3299 63.8757 73.5812 85.2317 105.2069 117.8827 131.2563 137.7611 164.2132 206.4768 223.5129 227.3627 240.4212 263.8949 277.1157 283.4238 289.7621 379.3009 382.9570 405.7201 416.1439 440.6281 450.1625 532.5582 556.5337 566.2749 566.3062 629.8363 631.9073 646.6388 670.0119 683.5841 709.2607 752.7319 762.8161 781.6896 786.8051 802.3694 827.2796 857.5201 858.4974 877.3260 877.6790 900.4764 907.6033 908.9357 910.5412 918.5988 931.9110 933.9072 958.7396 961.9443 976.9781 1002.9182 1029.7820 1030.2890 1031.7982 1032.1546 1054.8118 1063.9373 1098.9739 1101.4541 1105.4740 1106.5520 1129.2518 1129.3176 1146.9752 1147.8381 1170.0693 1170.5945 1175.1150 1218.4886 1219.6680 1227.8727 1233.6279 1234.1600 1253.6797 1270.0710 1271.3475 1277.8153 1309.0960 1309.1175 1312.6421 1313.6117 1323.7843 1324.3219 1340.8959 1341.6341 1379.7312 1387.5911 1388.6914 1432.5887 1456.7358 1459.3904 1463.3525 1463.4160 1469.4581 1470.1555 1475.7464 1489.5967 1489.6502 1575.1244 1604.7236 1613.3970 1621.5565 2944.6647 2945.0144 2990.2167 2990.6250 2995.9370 2996.2305 3005.3946 3005.5529 3014.3134 3014.3851 3062.6639 3063.2125 3065.9577 3066.0907 3078.0698 3078.1484 3090.5489 3090.9067 3135.7305 3149.5671 3161.6996 3172.3490 3.2489 8.5158 5.1658 4.8697 4.2199 3.0728 3.5590 6.6296 5.0037 6.3412 4.6968 4.4851 3.7284 3.6073 4.6382 7.0389 2.3559 2.4843 5.9998 6.6374 2.3797 2.8735 5.4234 10.0658 3.7734 3.4830 2.6913 3.1186 4.7204 5.0367 2.0296 2.0237 3.9697 3.5702 5.3118 6.0437 5.5095 4.5385 4.4173 4.0252 4.4738 1.4933 6.0811 6.1159 2.0955 2.0805 1.7468 1.6738 1.5919 2.1397 1.9885 4.4835 3.7413 2.1665 2.3169 1.9999 2.0080 1.4051 1.3592 2.7783 2.0124 2.1380 5.2872 2.9880 3.9298 2.9107 2.0059 1.8190 1.9829 2.1612 2.1294 1.4439 1.4451 1.4775 1.4763 1.0597 1.3611 1.3367 2.4861 1.1025 1.1282 3.2305 1.2935 1.3202 1.5812 1.2021 1.2028 1.3602 1.3507 1.3030 1.3170 1.3080 1.3000 6.3229 1.5373 1.7248 2.2719 1.0879 1.0950 1.0896 1.0898 1.0969 1.1022 2.4994 1.0934 1.0940 7.2611 7.1548 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