Gaussian 09 GINC-KIMIK2030 CBGUSER 000294313 EM64L-G09RevD.01 23-Apr-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 310.1962999999998 0 1 AuxInfo=1/0/N:15,22,23,24,12,10,11,8,9,18,17,13,16,19,20,21,14,7,6,2,3,4,5,1/E:(2,3)(6,7)(8,9)(10,11)(14,15)(21,22)/CRV:1.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,20.1/rA:47OO1OOONCCCCCCC3C3C3C3C3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s1;s7;s7;s8;s9;s10s11;s6s7;s1s2s6;s13;s6;s16;s16;s3s18;s4s17;s5s19s20;s3;s4;s5;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s15;s15;s17;s18;s22;s22;s22;s23;s23;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-30063.inp" -scrdir="/scratch/" chk=000294313.chk nprocshared=4 mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000294313 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 16 16 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 1 1 2 3 3 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 15 15 16 16 17 17 18 18 19 20 22 22 22 23 23 23 24 24 24 7 14 14 19 22 20 23 21 24 13 14 16 8 9 13 10 25 26 11 27 28 12 29 30 12 31 32 33 34 15 35 36 17 18 20 37 19 38 21 21 39 40 41 42 43 44 45 46 47 1.4916 1.3789 1.1984 1.3717 1.4508 1.363 1.4534 1.3866 1.4553 1.4324 1.4372 1.4393 1.5298 1.5299 1.5364 1.5337 1.1091 1.1081 1.5339 1.1081 1.1086 1.534 1.1106 1.1055 1.534 1.1054 1.1106 1.1062 1.1065 1.3315 1.0812 1.0788 1.3933 1.4088 1.4126 1.0922 1.397 1.084 1.4207 1.41 1.0936 1.0938 1.0979 1.0968 1.096 1.0929 1.0914 1.0966 1.0944 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 19 20 21 13 13 14 1 1 1 8 8 9 7 7 7 10 10 25 7 7 7 11 11 27 8 8 8 12 12 29 9 9 9 12 12 31 10 10 10 11 11 33 6 6 7 1 1 2 13 13 35 6 6 17 16 16 20 16 16 19 3 3 18 4 4 17 5 5 19 3 3 3 39 39 40 4 4 4 42 42 43 5 5 5 45 45 46 1 3 4 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 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 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 14 22 23 24 14 16 16 8 9 13 9 13 13 10 25 26 25 26 26 11 27 28 27 28 28 12 29 30 29 30 30 12 31 32 31 32 32 11 33 34 33 34 34 7 15 15 2 6 6 35 36 36 17 18 18 20 37 37 19 38 38 18 21 21 17 21 21 19 20 20 39 40 41 40 41 41 42 43 44 43 44 44 45 46 47 46 47 47 111.6526 117.9451 118.8497 113.9836 110.9586 125.5498 123.4899 106.1418 106.5709 103.3279 114.7099 112.6044 112.4079 111.4188 109.7171 109.2613 109.7389 110.2998 106.2706 111.4312 109.1382 109.7619 110.2812 109.6973 106.4019 111.4502 109.0763 109.8303 109.616 110.4029 106.3242 111.4514 109.8509 109.065 110.3989 109.586 106.3484 110.5599 110.2081 109.8562 110.2201 109.8576 106.0419 105.9932 127.8056 126.1576 122.8212 107.9208 129.2576 124.0321 122.8997 113.059 118.8262 119.5523 121.6124 119.2341 122.0861 118.6669 118.514 120.1623 121.3109 124.7136 113.7191 121.5555 111.9631 127.3124 120.709 121.8182 119.623 118.3608 110.3236 110.2919 101.5268 112.0331 111.2458 110.9498 110.3095 101.5261 109.6768 112.0556 110.881 112.0167 110.5361 109.5237 101.9503 111.3638 111.9237 111.1559 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 14 14 14 7 7 22 22 19 19 19 23 23 20 20 20 24 24 21 21 21 14 14 16 16 13 13 16 16 13 13 14 14 1 1 1 9 9 9 13 13 13 1 1 1 8 8 8 13 13 13 1 1 8 8 9 9 7 7 7 25 25 25 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 6 6 7 7 6 6 18 18 6 6 17 17 16 16 37 37 16 16 38 38 3 3 18 18 4 4 17 17 1 1 1 1 1 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 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 13 13 13 13 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 7 7 7 14 14 19 19 22 22 22 20 20 23 23 23 21 21 24 24 24 13 13 13 13 14 14 14 14 16 16 16 16 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 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 12 12 12 12 12 12 12 12 12 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 19 19 19 19 21 21 21 21 21 21 21 21 8 9 13 2 6 18 21 39 40 41 17 21 42 43 44 19 20 45 46 47 7 15 7 15 1 2 1 2 17 18 17 18 10 25 26 10 25 26 10 25 26 11 27 28 11 27 28 11 27 28 6 15 6 15 6 15 12 29 30 12 29 30 12 29 30 12 31 32 12 31 32 12 31 32 11 33 34 11 33 34 11 33 34 10 33 34 10 33 34 10 33 34 35 36 35 36 20 37 20 37 19 38 19 38 4 21 4 21 3 21 3 21 5 20 5 20 5 19 5 19 119.9488 -117.3567 1.2776 -179.1348 1.0935 -0.8872 -179.6484 62.8351 -61.4607 -179.1361 178.9751 0.4161 -55.3566 -174.311 67.0532 65.2738 -119.9244 57.2637 -65.7998 176.3959 4.0034 -173.6921 -175.5326 6.7719 -3.2825 176.9653 176.2649 -3.4873 -140.9935 40.0853 39.526 -139.3952 67.7671 -53.9666 -170.1028 -49.6209 -171.3546 72.5092 -179.8709 58.3954 -57.7408 -67.545 170.424 54.1749 49.5986 -72.4323 171.3186 179.9447 57.9137 -58.3354 -3.1256 174.6193 -117.2124 60.5325 111.3758 -70.8792 53.0938 -68.0729 175.7682 174.8149 53.6481 -62.5107 -68.4346 170.3986 54.2398 -53.044 -175.7286 68.0785 68.3239 -54.3607 -170.5537 -174.8014 62.514 -53.6789 -57.7779 64.3231 -179.1891 63.0736 -174.8254 -58.3375 179.8768 -58.0222 58.4656 57.7486 -64.3455 179.1589 -179.8818 58.0242 -58.4715 -63.0695 174.8365 58.3408 0.2023 179.0165 -177.0537 1.7606 -179.7467 -1.0668 -0.8487 177.8312 -179.7244 1.5581 1.3854 -177.3321 -178.892 -0.225 2.3827 -178.9503 -179.5377 -0.8687 -0.8356 177.8334 -6.4873 178.6476 174.7077 -0.1574 4.1787 179.1597 -174.2669 0.7141 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 267 282 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 18145 NPrTT= 92379 LenC2= 15081 LenP2D= 46807. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 286 RedAO= T EigKep= 2.75D-04 NBF= 286 NBsUse= 286 1.00D-06 EigRej= -1.00D+00 NBFU= 286 Using GEDIIS/GDIIS optimizer. local minimum Step number 19 out of a maximum of 267 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00177 0.00463 0.00516 0.00535 0.00630 0.00772 0.00851 0.01011 0.01167 0.01228 0.01332 0.01493 0.01775 0.01845 0.01893 0.01940 0.01947 0.01993 0.02006 0.02026 0.02061 0.02095 0.02099 0.02226 0.02887 0.02990 0.03069 0.03697 0.03884 0.04105 0.04224 0.04767 0.04805 0.04830 0.05097 0.05494 0.05842 0.06197 0.06887 0.08010 0.08066 0.08088 0.08159 0.08202 0.08256 0.08524 0.09930 0.10020 0.10064 0.10555 0.10612 0.10670 0.11271 0.12012 0.12196 0.13184 0.15289 0.15724 0.15935 0.15998 0.16000 0.16005 0.16017 0.16023 0.16048 0.16071 0.16110 0.16208 0.16230 0.16667 0.16972 0.21057 0.23007 0.23625 0.23882 0.24276 0.24903 0.24974 0.24988 0.25033 0.25061 0.25264 0.26022 0.26694 0.27595 0.27747 0.27922 0.28235 0.29138 0.29231 0.29481 0.30614 0.32538 0.32550 0.32709 0.32752 0.32807 0.32840 0.32977 0.33026 0.33085 0.33093 0.33488 0.33917 0.33980 0.34115 0.34291 0.34319 0.34392 0.34448 0.34574 0.34691 0.35116 0.35535 0.35870 0.36180 0.37405 0.37838 0.38221 0.38938 0.39547 0.39761 0.40593 0.41738 0.43636 0.44812 0.44964 0.45958 0.47073 0.48882 0.49545 0.53492 0.59257 0.99996 1.73330 RFO step: Lambda=-1.46378127D-06. 1 2 3 0.00224299 0.00000351 0.00000000 0.00000272 0.00000010 0.00000010 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 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 2.86412 2.66139 2.34521 2.65585 2.76952 2.63972 2.78530 2.66114 2.79697 2.68397 2.68111 2.72191 2.91602 2.92536 2.89801 2.92232 2.08871 2.09418 2.92098 2.09459 2.09032 2.92395 2.09126 2.09111 2.92336 2.09135 2.09108 2.09846 2.09099 2.56569 2.06450 2.06473 2.64913 2.67763 2.68019 2.06304 2.66236 2.06355 2.70479 2.69099 2.09241 2.09177 2.07842 2.08009 2.08092 2.09208 2.09436 2.08226 2.08022 1.92021 2.04985 2.10904 2.03947 1.95708 2.18923 2.13687 1.87430 1.87153 1.79974 1.95702 1.98301 1.96525 1.95480 1.90100 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0.99439 -0.95285 -3.08932 1.15300 1.13371 -1.00276 -3.04363 -3.08150 1.06521 -0.97565 -0.97779 1.13281 -3.10528 1.12387 -3.04872 -1.00362 -3.10280 -0.99220 1.05289 0.98170 -1.12897 3.10919 3.10663 0.99596 -1.04907 -1.11921 3.05331 1.00828 0.00241 3.11875 -3.12534 -0.00900 -3.10900 -0.00886 0.01038 3.11052 3.13418 -0.00077 0.01463 -3.12033 -3.11908 -0.02962 0.06263 -3.13110 3.10205 -0.02072 -0.04631 3.11411 -0.09221 -3.12236 3.03205 0.00190 0.07357 3.10634 -3.00942 0.02335 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000635 0.000077 0.009989 0.002243 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.362962e-06 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 1 1 2 3 3 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 15 15 16 16 17 17 18 18 19 20 22 22 22 23 23 23 24 24 24 7 14 14 19 22 20 23 21 24 13 14 16 8 9 13 10 25 26 11 27 28 12 29 30 12 31 32 33 34 15 35 36 17 18 20 37 19 38 21 21 39 40 41 42 43 44 45 46 47 1.5156 1.4083 1.241 1.4054 1.4656 1.3969 1.4739 1.4082 1.4801 1.4203 1.4188 1.4404 1.5431 1.548 1.5336 1.5464 1.1053 1.1082 1.5457 1.1084 1.1061 1.5473 1.1066 1.1066 1.547 1.1067 1.1066 1.1105 1.1065 1.3577 1.0925 1.0926 1.4019 1.4169 1.4183 1.0917 1.4089 1.092 1.4313 1.424 1.1073 1.1069 1.0999 1.1007 1.1012 1.1071 1.1083 1.1019 1.1008 -DE/DX = 0.0001|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = 0.0002|-DE/DX = -0.0001|-DE/DX = 0.0003|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-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 = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0003|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 19 20 21 13 13 14 1 1 1 8 8 9 7 7 7 10 10 25 7 7 7 11 11 27 8 8 8 12 12 29 9 9 9 12 12 31 10 10 10 11 11 33 6 6 7 1 1 2 13 13 35 6 6 17 16 16 20 16 16 19 3 3 18 4 4 17 5 5 19 3 3 3 39 39 40 4 4 4 42 42 43 5 5 5 45 45 46 1 3 4 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 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 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 14 22 23 24 14 16 16 8 9 13 9 13 13 10 25 26 25 26 26 11 27 28 27 28 28 12 29 30 29 30 30 12 31 32 31 32 32 11 33 34 33 34 34 7 15 15 2 6 6 35 36 36 17 18 18 20 37 37 19 38 38 18 21 21 17 21 21 19 20 20 39 40 41 40 41 41 42 43 44 43 44 44 45 46 47 46 47 47 110.0196 117.4478 120.8393 116.8532 112.1324 125.4338 122.4337 107.3897 107.2309 103.1176 112.1292 113.6179 112.6005 112.002 108.9194 107.719 110.9585 109.9653 107.1019 111.8756 107.5461 108.9937 110.1478 110.9223 107.1854 111.4408 108.8707 109.2898 109.3529 110.5519 107.2266 111.2989 109.373 108.902 110.5245 109.3751 107.267 110.8282 109.5172 110.0193 109.503 110.0243 106.8634 106.4113 127.2812 126.3035 123.8461 107.9485 128.2054 122.1538 120.2031 117.6278 119.8984 119.0627 121.0266 119.95 121.6409 118.3687 119.0093 119.5487 121.4405 123.5837 115.2238 121.1849 113.9911 125.6147 120.3194 121.7295 119.4881 118.4845 111.3681 111.1189 105.0596 109.6884 109.728 109.7816 111.1664 104.2777 110.8911 110.9958 109.7449 109.6577 110.3851 110.6053 105.0781 110.2158 110.0001 110.4489 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0006|-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 = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0005|-DE/DX = 0.0006|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 14 14 14 7 7 22 22 19 19 19 23 23 20 20 20 24 24 21 21 21 14 14 16 16 13 13 16 16 13 13 14 14 1 1 1 9 9 9 13 13 13 1 1 1 8 8 8 13 13 13 1 1 8 8 9 9 7 7 7 25 25 25 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 6 6 7 7 6 6 18 18 6 6 17 17 16 16 37 37 16 16 38 38 3 3 18 18 4 4 17 1 1 1 1 1 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 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 13 13 13 13 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 7 7 7 14 14 19 19 22 22 22 20 20 23 23 23 21 21 24 24 24 13 13 13 13 14 14 14 14 16 16 16 16 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 13 13 13 13 13 13 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 12 12 12 12 12 12 12 12 12 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 19 19 19 19 21 21 21 21 21 21 21 8 9 13 2 6 18 21 39 40 41 17 21 42 43 44 19 20 45 46 47 7 15 7 15 1 2 1 2 17 18 17 18 10 25 26 10 25 26 10 25 26 11 27 28 11 27 28 11 27 28 6 15 6 15 6 15 12 29 30 12 29 30 12 29 30 12 31 32 12 31 32 12 31 32 11 33 34 11 33 34 11 33 34 10 33 34 10 33 34 10 33 34 35 36 35 36 20 37 20 37 19 38 19 38 4 21 4 21 3 21 3 21 5 20 5 20 5 19 5 125.5448 -113.7634 5.2763 177.5488 -2.5417 -3.5539 175.4536 64.3928 -58.2189 -176.8802 -154.2575 28.8966 -73.6144 166.7157 48.7671 63.3964 -122.9691 61.8329 -60.413 -179.6125 4.9517 -174.3533 -174.9478 5.7471 -1.6106 178.2938 178.2924 -1.8032 -127.9574 53.3038 52.1528 -126.586 65.2022 -57.9125 -173.7526 -52.3432 -175.458 68.7019 178.5621 55.4473 -60.3928 -65.0669 173.8535 57.9691 52.5733 -68.5063 175.6093 -177.8027 61.1177 -54.7667 -5.9956 173.3183 -121.8971 57.4168 109.2478 -71.4383 54.2102 -66.4856 176.6925 176.1653 55.4695 -61.3525 -65.5279 173.7763 56.9543 -54.5918 -177.0024 66.0628 64.9692 -57.4414 -174.3762 -176.5278 61.0616 -55.8732 -56.0407 64.8779 -177.9468 64.372 -174.7094 -57.5341 -177.7943 -56.8757 60.2995 56.2618 -64.6652 178.165 178.0055 57.0785 -60.0913 -64.1143 174.9587 57.7889 0.1346 178.6787 -179.0382 -0.4942 -178.155 -0.5056 0.5585 178.2079 179.5521 -0.0083 0.828 -178.7324 -178.6782 -1.6485 3.596 -179.3742 177.8076 -1.1429 -2.6407 178.4089 -5.2604 -178.9566 173.7731 0.0769 4.1439 177.9849 -172.5177 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001 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 0 310.1962999999998 AuxInfo=1/0/N:15,22,23,24,12,10,11,8,9,18,17,13,16,19,20,21,14,7,6,2,3,4,5,1/E:(2,3)(6,7)(8,9)(10,11)(14,15)(21,22)/CRV:1.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,20.1/rA:47OO1OOONCCCCCCC3C3C3C3C3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s1;s7;s7;s8;s9;s10s11;s6s7;s1s2s6;s13;s6;s16;s16;s3s18;s4s17;s5s19s20;s3;s4;s5;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s15;s15;s17;s18;s22;s22;s22;s23;s23;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.264661 0.000000 7.093894 6.480446 0.000000 6.463535 4.743980 4.821293 0.000000 7.802527 6.518301 2.708054 2.925223 0.000000 2.277426 2.383599 4.911265 4.736878 5.635055 0.000000 1.491570 3.518250 6.842455 7.019796 7.939144 2.371721 0.000000 2.415325 4.427425 7.934237 7.745413 8.869773 3.466239 1.529792 0.000000 2.422166 4.423756 7.287041 8.127050 8.748359 3.411388 1.529869 2.576322 0.000000 2.969209 5.086259 9.314231 8.941712 10.240291 4.687309 2.531054 1.533730 2.974677 0.000000 2.975242 5.083764 8.781690 9.267829 10.137960 4.648203 2.531442 2.974855 1.533896 2.521676 0.000000 3.564431 5.798944 9.630018 9.853060 10.879289 5.293909 2.943598 2.534969 2.535143 1.533959 1.533980 0.000000 2.375257 3.530180 5.409880 5.974034 6.567549 1.432419 1.536395 2.550995 2.548137 3.909649 3.908114 4.382397 0.000000 1.378900 1.198354 6.104449 5.128149 6.543412 1.437249 2.375693 3.400895 3.384841 4.242032 4.230022 4.911598 2.364383 0.000000 3.670919 4.780252 5.098880 6.425661 6.551491 2.482506 2.558758 3.181891 3.255752 4.619411 4.669639 4.988573 1.331471 3.653392 0.000000 3.654875 3.002841 3.704199 3.595075 4.196217 1.439298 3.775052 4.804623 4.700948 6.096942 6.017753 6.712144 2.553579 2.533803 3.090490 0.000000 4.318585 2.997342 4.173964 2.300765 3.711470 2.438612 4.754219 5.601194 5.834444 6.828297 7.017354 7.632864 3.704859 3.017249 4.298065 1.393340 0.000000 4.657911 4.249772 2.452617 4.176058 3.729415 2.460989 4.471310 5.591744 5.093585 6.935286 6.549258 7.342493 3.078560 3.706436 3.130134 1.408798 2.446207 0.000000 5.953545 5.202290 1.371653 3.731233 2.453141 3.729282 5.850582 6.916346 6.483004 8.286511 7.936540 8.736196 4.437491 4.875168 4.358584 2.411472 2.806469 1.396963 0.000000 5.709887 4.260981 3.634941 1.362999 2.417270 3.732441 6.085621 6.943104 7.091388 8.216045 8.339559 8.996999 4.908090 4.393366 5.272971 2.420626 1.412626 2.821937 2.430899 0.000000 6.423116 5.233920 2.338249 2.485067 1.386557 4.252408 6.565365 7.530227 7.387967 8.879679 8.762353 9.504959 5.222019 5.180764 5.314296 2.813146 2.453116 2.459059 1.420660 1.409959 0.000000 7.186886 6.979745 1.450834 6.121299 4.157140 5.164647 6.704386 7.830780 6.889431 9.169237 8.397364 9.280031 5.331435 6.416450 4.827966 4.257287 5.085670 2.850268 2.418992 4.847350 3.680830 0.000000 7.895014 6.147281 5.122871 1.453358 2.631535 6.088809 8.407004 9.143761 9.472809 10.373660 10.659233 11.271123 7.282059 6.550683 7.605495 4.838454 3.659694 5.135600 4.338287 2.425214 2.922872 6.542330 0.000000 8.539299 7.192160 2.851164 3.951825 1.455341 6.439644 8.716900 9.800635 9.337940 11.119127 10.722713 11.617239 7.389501 7.281048 7.403906 5.030151 4.687000 4.373486 3.052822 3.471637 2.383489 4.170917 3.496526 0.000000 2.599817 4.177337 7.916945 7.157252 8.530177 3.393587 2.171429 1.109066 3.515662 2.175162 3.953070 3.491974 2.787879 3.286362 3.449376 4.610281 5.168205 5.570981 6.801531 6.497971 7.227383 8.001033 8.553231 9.568848 0.000000 3.381714 5.338792 7.952620 8.220243 9.075474 3.971727 2.164819 1.108069 2.928697 2.181594 3.457238 2.858959 2.775184 4.238197 2.913703 5.181583 6.084096 5.760873 7.056125 7.340179 7.779704 7.723041 9.562608 10.032029 1.773829 0.000000 3.386246 5.334951 7.234540 8.617864 8.943760 3.917990 2.163287 2.926289 1.108057 3.455303 2.181494 2.857932 2.770953 4.223269 3.001242 5.074630 6.321446 5.224162 6.584690 7.494934 7.626870 6.656425 9.910301 9.530935 3.930855 2.849959 0.000000 2.610674 4.171394 6.795214 7.835773 8.318416 3.299984 2.171715 3.515572 1.108591 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AuxInfo=1/0/N:15,22,23,24,12,10,11,8,9,18,17,13,16,19,20,21,14,7,6,2,3,4,5,1/E:(2,3)(6,7)(8,9)(10,11)(14,15)(21,22)/CRV:1.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,20.1/rA:47OO1OOONCCCCCCC3C3C3C3C3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s1;s7;s7;s8;s9;s10s11;s6s7;s1s2s6;s13;s6;s16;s16;s3s18;s4s17;s5s19s20;s3;s4;s5;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s15;s15;s17;s18;s22;s22;s22;s23;s23;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.338916 0.000000 7.092591 6.341456 0.000000 6.598374 4.945596 4.902996 0.000000 7.856658 6.499080 2.774125 2.933268 0.000000 2.286459 2.393969 4.941862 4.819346 5.680755 0.000000 1.515628 3.588778 6.868383 7.076727 7.973908 2.366395 0.000000 2.465000 4.592751 8.062164 7.824702 8.977251 3.522629 1.543092 0.000000 2.466488 4.474775 7.229786 8.220233 8.757501 3.403252 1.548033 2.564608 0.000000 3.006816 5.244436 9.405459 9.055077 10.344712 4.735267 2.561356 1.546425 2.986652 0.000000 3.003718 5.136808 8.705450 9.392774 10.152840 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6.562332 8.841749 9.986798 9.448609 11.292810 10.819768 11.770818 7.525308 7.344275 7.545474 5.152655 4.803229 4.473466 3.129245 3.574554 2.461040 4.306976 3.553308 0.000000 2.668691 4.406341 8.081641 7.235969 8.660757 3.465880 2.169988 1.105300 3.508878 2.199067 3.980780 3.520363 2.780408 3.426847 3.412551 4.685437 5.206047 5.700684 6.942863 6.562656 7.338659 8.126983 8.696793 9.767830 0.000000 3.418512 5.489972 8.109017 8.279673 9.191403 4.027490 2.156413 1.108190 2.853052 2.188567 3.416273 2.849285 2.801233 4.320828 2.937650 5.245183 6.105065 5.890821 7.193295 7.390205 7.879416 7.844907 9.722416 10.231542 1.780500 0.000000 3.418908 5.386807 7.239201 8.673206 8.966892 3.918222 2.158598 2.849880 1.108408 3.410207 2.190449 2.843978 2.790066 4.236788 3.038383 5.074950 6.325317 5.235120 6.599368 7.506446 7.640563 6.620307 9.968511 9.681025 3.847354 2.691458 0.000000 2.671879 4.196805 6.619178 7.939527 8.270386 3.257161 2.175911 3.509314 1.106148 3.982063 2.198622 3.518665 2.761673 3.254078 3.550022 4.371434 5.610324 4.554963 5.916094 6.768455 6.917612 6.127108 9.130564 8.816612 4.324689 3.850210 1.782315 0.000000 2.692115 4.717218 9.582447 8.828286 10.333818 4.730207 2.847906 2.173272 3.391047 1.106647 2.818941 2.180282 4.253413 4.011632 5.209214 6.138604 6.735797 7.125084 8.466966 8.153980 8.944803 9.506102 10.210211 11.247666 2.495043 3.092079 4.081826 4.203239 0.000000 4.002894 6.148469 10.237125 9.700054 11.088327 5.598627 3.510254 2.178648 3.990294 1.106565 3.512466 2.195614 4.746049 5.258224 5.298273 6.966896 7.615888 7.857102 9.194183 9.005732 9.732039 10.057411 11.144186 12.113176 2.538966 2.497016 4.236783 5.030443 1.781706 0.000000 3.999285 5.991014 9.117841 10.236577 10.782427 5.468766 3.513893 3.993554 2.179199 3.512487 1.106695 2.195086 4.736436 5.140732 5.393459 6.756213 7.897197 7.062754 8.438879 9.155434 9.414501 8.511638 11.484815 11.351722 5.031142 4.246845 2.503743 2.537661 3.831302 4.362382 0.000000 2.683813 4.588661 8.866981 9.181849 10.130429 4.631598 2.845087 3.386595 2.172989 2.816989 1.106553 2.180223 4.241053 3.913262 5.262250 5.988683 6.923277 6.597246 7.971451 8.248519 8.731123 8.539133 10.430612 10.751139 4.195036 4.082207 3.093973 2.497220 2.636529 3.830779 1.782197 0.000000 4.344801 6.677147 9.767643 10.425170 11.213597 5.740921 3.390832 2.838350 2.832988 2.185240 2.184781 1.110456 4.635244 5.629905 4.980360 7.100732 8.122198 7.592661 8.983749 9.449946 9.849964 9.245405 11.816615 12.054507 3.856318 2.682261 2.673445 3.851036 3.095682 2.510955 2.511372 3.095579 0.000000 4.360342 6.574468 10.681988 10.863295 11.944043 6.285468 4.000126 3.514353 3.512036 2.188759 2.188547 1.106505 5.487803 5.761635 6.175241 7.717117 8.608727 8.380917 9.787777 9.994264 10.543183 10.273698 12.225753 12.733944 4.361398 3.855519 3.851195 4.360611 2.502524 2.538531 2.536635 2.504239 1.780547 0.000000 4.516705 5.191997 4.439070 5.786636 5.718380 2.806944 3.574166 4.220198 4.285661 5.717601 5.765763 6.164704 2.148412 4.168920 1.092486 2.854319 3.862527 2.767561 3.731004 4.626808 4.580192 4.293043 7.044271 6.745502 4.268852 3.949098 4.022262 4.374931 6.210884 6.317351 6.394816 6.252797 6.059112 7.265505 0.000000 4.214274 5.682357 6.110266 7.371650 7.555114 3.458682 2.830400 3.087463 3.284096 4.451468 4.590978 4.722103 2.128308 4.472165 1.092606 4.170090 5.257123 4.288980 5.450722 6.263623 6.356405 5.694667 8.709944 8.538177 3.476855 2.467227 2.719573 3.766461 5.193488 4.952219 5.168881 5.314414 4.406638 5.822029 1.869325 0.000000 4.162440 2.785608 5.316617 2.525741 4.604401 2.711416 4.745135 5.431555 6.007579 6.572921 7.049252 7.539998 3.891849 2.935451 4.597950 2.182377 1.091715 3.451187 3.914330 2.162131 3.442241 6.191225 3.922539 5.683331 4.847893 6.026264 6.575412 5.882219 6.305040 7.239462 7.971143 6.812531 8.060702 8.389672 4.450432 5.606733 0.000000 4.587890 4.494797 2.766640 5.321864 4.661958 2.673079 4.202108 5.496079 4.463310 6.753640 5.947661 6.910040 2.954507 3.825065 2.947034 2.173998 3.434996 1.091982 2.186837 3.931942 3.470485 2.554107 6.293683 5.214779 5.707441 5.588830 4.521304 3.899912 6.979023 7.637754 6.390430 6.168970 7.039512 7.924563 2.594484 3.833884 4.345811 0.000000 6.707957 6.386202 2.134579 6.517049 4.810991 4.946222 6.349166 7.695269 6.248583 8.868467 7.654521 8.786983 5.225967 5.932413 5.033861 4.239928 5.216803 2.870673 2.800267 5.178547 4.144405 1.107254 7.069952 4.753652 8.003228 7.701515 6.176352 5.477804 9.113914 9.785053 7.838390 7.889107 8.836214 9.755737 4.531808 5.721155 6.247253 2.334638 0.000000 6.843034 6.813300 2.131235 6.399251 4.691021 4.883780 6.193365 7.298466 6.297414 8.636769 7.814610 8.693117 4.863564 6.148531 4.237883 4.159342 5.113066 2.828981 2.752521 5.081925 4.066608 1.106915 7.100286 5.052079 7.523725 7.098731 6.009335 5.798405 9.037653 9.415795 8.096005 8.222700 8.583791 9.745444 3.480917 4.819085 6.141772 2.364439 1.810281 0.000000 8.225225 7.853115 2.048216 6.946240 4.633353 6.259753 7.753406 8.965065 7.762801 10.254732 9.228569 10.246651 6.469897 7.396479 5.991168 5.345340 6.099435 3.936717 3.329385 5.729097 4.440637 1.099855 7.301861 4.471490 9.186425 8.837242 7.549672 7.101896 10.577343 11.090270 9.424001 9.545126 10.188299 11.261962 5.239208 6.606296 7.184783 3.647718 1.804953 1.805269 0.000000 8.606580 6.922399 5.110508 2.134405 2.385138 6.669271 8.986568 9.791860 10.025529 11.086045 11.287841 11.942749 7.746055 7.259008 7.897843 5.342761 4.259170 5.448439 4.477135 2.914186 3.058758 6.563888 1.100738 3.155255 9.240203 10.146506 10.384013 9.651639 10.912792 11.735197 12.061738 11.120433 12.326277 12.866191 7.161695 8.921085 4.635274 6.496806 7.061102 6.934220 7.017376 0.000000 8.356689 6.453212 6.392996 2.045866 3.900707 6.762544 8.993813 9.705989 10.140912 10.851858 11.235561 11.825201 7.967396 7.022893 8.371117 5.645798 4.334834 6.142274 5.486404 3.335871 4.092825 7.800995 1.101173 4.591401 9.050765 10.222683 10.657303 9.820634 10.515608 11.469863 12.087089 10.920503 12.342407 12.655035 7.820589 9.411637 4.296804 7.227036 8.127807 8.144918 8.398642 1.814607 0.000000 7.923818 5.946417 5.128400 2.135838 2.859616 6.207865 8.544396 9.505240 9.480422 10.656512 10.630078 11.426694 7.475858 6.521703 7.901078 4.967604 3.910519 5.167604 4.365747 2.748467 3.070195 6.527292 1.107082 3.156557 9.033423 10.015060 9.991110 8.987819 10.350475 11.409369 11.368269 10.317925 11.934800 12.275557 7.334225 8.982459 4.227541 6.191153 6.747375 7.054029 7.076249 1.805721 1.805108 0.000000 8.508822 6.809317 3.574815 3.918347 2.135825 6.569588 8.876308 10.070336 9.476823 11.288144 10.761814 11.767804 7.674869 7.153498 7.885403 5.214087 4.768210 4.702433 3.521754 3.591264 2.772489 4.891501 3.295296 1.108287 9.845021 10.427799 9.827468 8.793546 11.139447 12.147043 11.301076 10.582107 12.146572 12.677853 7.195772 8.921905 5.547837 5.476178 5.119767 5.699365 5.152073 3.185003 4.257861 2.585557 0.000000 8.611557 7.319096 2.266034 4.806593 2.133714 6.515418 8.681274 9.898604 9.127062 11.199108 10.525148 11.543199 7.362352 7.372856 7.304761 5.165659 5.115123 4.225366 2.892594 4.074847 2.762702 3.456690 4.540705 1.101884 9.796815 10.080338 9.285567 8.437089 11.221408 12.053352 10.966228 10.520102 11.768671 12.516817 6.505916 8.245834 6.096972 4.769306 3.890172 4.319667 3.491218 4.190262 5.607902 4.115156 1.812854 0.000000 9.684863 8.187323 3.771647 4.587299 2.061582 7.560260 9.845016 10.937976 10.487277 12.276649 11.876419 12.792863 8.491415 8.367114 8.432538 6.132156 5.688383 5.470473 4.091243 4.369732 3.339342 5.084826 3.857517 1.100805 10.674364 11.147996 10.684637 9.879948 12.244497 13.064294 12.416639 11.824408 13.052110 13.768904 7.570563 9.401140 6.516057 6.208396 5.639785 5.797131 5.077160 3.204136 4.790255 3.571286 1.809589 1.809273 0.000000 0.5107043 0.1151012 0.1017326 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= 273 273 274 274 274 MxSgAt= 47 MxSgA2= 47. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F 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= 18145 NPrTT= 92379 LenC2= 15033 LenP2D= 46562. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 286 RedAO= T EigKep= 2.99D-04 NBF= 286 NBsUse= 286 1.00D-06 EigRej= -1.00D+00 NBFU= 286 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= 271 272 272 274 274 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 0 1 -1128.60763334645 -1128.53994185849 0.067691487952 -1128.93559065353 -0.395648795037 -1128.97068700943 -0.035096355899 -1129.08292804139 -0.112241031963 -1129.09048863688 -0.007560595491 -1129.09132756394 -0.000838927054 -1129.09139938792 -0.000071823986 -1129.09141539392 -0.000016005992 -1129.09141220447 0.000003189446 -1129.09141232219 -0.000000117716 -1129.09141271928 -0.000000397094 -1129.09141286089 -0.000000141609 -1129.09141288820 -0.000000027308 -1129.09141288986 -0.000000001662 -1129.09141288995 -0.000000000089 -1129.09141288999 -0.000000000045 -1129.09141288998 0.000000000013 -1129.09141289 18 1.124804106078e+03 -6.913209327449e+03 2.521057346729e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=854289633. IVT= 267464 IEndB= 267464 NGot= 939524096 MDV= 97054272 LenX= 97054272 LenY= 96972035 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= 41041 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -1.47188393e-01 2.22248643e+00 1.58742762e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 8 8 8 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.015947902 -0.002528722 -0.001691595 -0.028885536 -0.053725671 -0.031170805 -0.009788787 0.010545063 0.000973644 -0.003519067 -0.011306351 0.002109445 -0.003116855 0.005524383 0.005819962 0.007665849 0.004466651 0.001364953 -0.011798684 0.003259154 0.003195724 0.002572954 -0.000502051 0.009351028 0.002040981 0.007872181 -0.005058236 0.004767823 -0.007168510 0.002414924 0.004046810 -0.000836611 -0.007936542 0.007901852 -0.001506667 -0.001744173 0.001060838 -0.026927717 -0.018117675 0.006729930 0.050855603 0.028426928 -0.008195919 0.020511545 0.015081127 0.013988433 -0.005722442 -0.000913366 0.001590404 0.000355857 0.000754974 0.001882382 0.003125789 -0.000949930 0.001497614 -0.013756013 -0.000860588 0.018703548 0.005615251 -0.000888821 0.012539754 -0.005798129 0.005204730 -0.013828815 0.001096545 0.000849947 -0.000753216 -0.012286980 0.007763225 -0.011791634 0.005913778 0.007173856 -0.001676903 0.002374953 -0.002074968 -0.000034867 0.001153532 -0.001547384 0.000132842 -0.000715548 0.001788800 -0.001552940 -0.000775623 0.002649412 -0.000158760 0.002499118 0.000088486 -0.000162088 0.000234154 0.001407070 -0.000214804 0.001376369 -0.000464773 0.000067256 0.001176775 0.002103710 -0.001126227 0.002379195 0.001525982 0.000303555 -0.000382611 -0.000302445 -0.008849153 -0.001597809 -0.000104575 0.011667088 0.002586314 0.001708007 -0.000935539 0.001189662 0.000359337 0.002706663 0.003597090 -0.001371115 0.006087295 0.002986194 -0.005737372 0.006241254 0.004196212 0.004275955 0.004302064 0.007252157 -0.001242968 -0.004670993 -0.001881122 0.000466718 -0.007665789 -0.003234364 -0.000560943 -0.007306189 -0.000670463 -0.004461604 0.000263623 -0.005099512 -0.009324986 -0.001530099 0.002651471 -0.003763282 -0.007145848 0.001627921 -0.006569796 0.053725671 0.009911710 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -1129.10760903496 -1129.10766305166 -0.000054016708 -1129.10794057685 -0.000277525185 -1129.10792874518 0.000011831670 -1129.10794231578 -0.000013570600 -1129.10794254543 -0.000000229656 -1129.10794266884 -0.000000123403 -1129.10794268270 -0.000000013862 -1129.10794268339 -0.000000000688 -1129.10794268350 -0.000000000109 -1129.10794268352 -0.000000000021 -1129.10794268 11 1.123743586652e+03 -6.869574379527e+03 2.499907632725e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=854289633. IVT= 267464 IEndB= 267464 NGot= 939524096 MDV= 97054272 LenX= 97054272 LenY= 96972035 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= 41041 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. 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 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 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 -18.803608 -18.800030 -18.785089 -18.783102 -18.749692 -14.059394 -10.045564 -9.981160 -9.974657 -9.968723 -9.962776 -9.961298 -9.960490 -9.956375 -9.940082 -9.938638 -9.911259 -9.906397 -9.904751 -9.902841 -9.894676 -9.893802 -9.893537 -9.893169 -1.016498 -0.982363 -0.964532 -0.946752 -0.939845 -0.885193 -0.780456 -0.766693 -0.717318 -0.695606 -0.692758 -0.679634 -0.662156 -0.652847 -0.634580 -0.621768 -0.582512 -0.578010 -0.560146 -0.551610 -0.539481 -0.524161 -0.506250 -0.477021 -0.467262 -0.461447 -0.446620 -0.442631 -0.435871 -0.424871 -0.424427 -0.411821 -0.409613 -0.403876 -0.400974 -0.392782 -0.389342 -0.386319 -0.383720 -0.378046 -0.368502 -0.364085 -0.356656 -0.352535 -0.351234 -0.342900 -0.342052 -0.339387 -0.318568 -0.310155 -0.307692 -0.304251 -0.301040 -0.285787 -0.279317 -0.277048 -0.275866 -0.272891 -0.263346 -0.243469 -0.232497 -0.228665 -0.204271 -0.193019 -0.184921 -0.044816 -0.036499 -0.028232 0.011092 0.014215 0.038784 0.046276 0.059229 0.075850 0.083521 0.084799 0.091150 0.098455 0.099316 0.108690 0.110475 0.111175 0.121272 0.127787 0.132491 0.134014 0.137905 0.144104 0.152674 0.157120 0.159486 0.161752 0.165384 0.167481 0.169662 0.172890 0.179078 0.180570 0.184349 0.190780 0.191030 0.196169 0.199792 0.201914 0.206986 0.210769 0.213953 0.214340 0.217716 0.227080 0.232652 0.235994 0.236590 0.246622 0.253594 0.257961 0.263243 0.266651 0.275999 0.280459 0.288047 0.290287 0.296180 0.298556 0.302800 0.303855 0.311904 0.315691 0.321940 0.333133 0.336802 0.346367 0.350653 0.351546 0.358358 0.366852 0.371872 0.380709 0.385377 0.387616 0.393273 0.399011 0.412800 0.414996 0.419180 0.424862 0.429757 0.434280 0.445057 0.449161 0.456659 0.461315 0.465642 0.477402 0.490989 0.496017 0.513410 0.515723 0.525632 0.534450 0.555404 0.562741 0.566085 0.581087 0.589255 0.605553 0.620619 0.635523 0.643601 0.658625 0.670261 0.680200 0.693429 0.721866 0.743429 0.745285 0.767148 0.777324 0.789804 0.798002 0.804650 0.816804 0.826585 0.840103 0.851197 0.853750 0.868819 0.893221 0.897770 0.904582 0.915488 0.923118 0.940473 0.947783 0.957258 0.972873 0.980341 0.990404 1.003577 1.012576 1.023620 1.026218 1.035790 1.047069 1.055852 1.068673 1.077499 1.090992 1.106688 1.113532 1.120615 1.125076 1.133565 1.141419 1.157563 1.169084 1.172121 1.177495 1.178675 1.187828 1.198276 1.213359 1.220635 1.231883 1.246473 1.265759 1.272167 1.356882 1.378771 1.400109 1.427905 1.451672 1.513172 1.690999 1.730693 1.772852 1.806870 1.818869 22.277692 22.390454 22.412296 22.502264 22.513337 22.534113 22.544843 22.551233 22.583673 22.599295 22.628012 22.668221 22.670143 22.676588 22.680858 22.689205 22.711084 22.788079 31.530415 41.533436 41.541440 41.558616 41.575326 41.578197 29.116428 29.115193 29.116702 29.117433 29.117048 22.044173 15.957570 15.958239 15.955723 15.956052 15.955339 15.955179 15.958248 15.956028 15.958435 15.958577 15.952788 15.956462 15.956450 15.952740 15.955015 15.958223 15.958421 15.957851 2.310926 2.479613 2.511168 2.641048 2.687856 2.126317 1.665880 1.475497 1.606931 1.727745 1.733310 1.402266 1.589656 1.636254 1.682678 1.631406 1.646822 1.826947 1.370409 1.624311 1.621565 1.598077 1.496308 1.569604 1.407201 1.637912 1.628767 1.234776 1.419414 1.215006 1.278842 1.444029 1.211602 1.175147 1.344275 1.179944 1.241903 1.410831 1.241702 1.574561 1.596903 1.427616 1.549268 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1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 10 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 11 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 12 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 13 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 14 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 15 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 20 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 21 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 22 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 23 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 24 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 H 1S 2S 47 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|24 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 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AuxInfo=1/0/N:15,22,23,24,12,10,11,8,9,18,17,13,16,19,20,21,14,7,6,2,3,4,5,1/E:(2,3)(6,7)(8,9)(10,11)(14,15)(21,22)/CRV:1.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,20.1/rA:47OO1OOONCCCCCCC3C3C3C3C3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s1;s7;s7;s8;s9;s10s11;s6s7;s1s2s6;s13;s6;s16;s16;s3s18;s4s17;s5s19s20;s3;s4;s5;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s15;s15;s17;s18;s22;s22;s22;s23;s23;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2030 CBGUSER 000294313 EM64L-G09RevD.01 23-Apr-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 135 C1[X(C18H23NO5)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 310.1962999999998 0 1 AuxInfo=1/0/N:15,22,23,24,12,10,11,8,9,18,17,13,16,19,20,21,14,7,6,2,3,4,5,1/E:(2,3)(6,7)(8,9)(10,11)(14,15)(21,22)/CRV:1.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,20.1/rA:47OO1OOONCCCCCCC3C3C3C3C3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s1;s7;s7;s8;s9;s10s11;s6s7;s1s2s6;s13;s6;s16;s16;s3s18;s4s17;s5s19s20;s3;s4;s5;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s15;s15;s17;s18;s22;s22;s22;s23;s23;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-31143.inp" -scrdir="/scratch/" chk=000294313-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 000294313 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 16 16 16 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000389 0.000104 0.073695 0.025129 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.280503e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2116.8152459742 286 668 286 89 89 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 310.1962999999998 AuxInfo=1/0/N:15,22,23,24,12,10,11,8,9,18,17,13,16,19,20,21,14,7,6,2,3,4,5,1/E:(2,3)(6,7)(8,9)(10,11)(14,15)(21,22)/CRV:1.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,20.1/rA:47OO1OOONCCCCCCC3C3C3C3C3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s1;s7;s7;s8;s9;s10s11;s6s7;s1s2s6;s13;s6;s16;s16;s3s18;s4s17;s5s19s20;s3;s4;s5;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s15;s15;s17;s18;s22;s22;s22;s23;s23;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.338916 0.000000 7.092591 6.341456 0.000000 6.598374 4.945596 4.902996 0.000000 7.856658 6.499080 2.774126 2.933268 0.000000 2.286459 2.393969 4.941863 4.819347 5.680756 0.000000 1.515628 3.588778 6.868384 7.076728 7.973908 2.366395 0.000000 2.464999 4.592751 8.062165 7.824702 8.977251 3.522629 1.543092 0.000000 2.466487 4.474775 7.229786 8.220233 8.757501 3.403251 1.548033 2.564608 0.000000 3.006815 5.244436 9.405459 9.055078 10.344712 4.735267 2.561356 1.546425 2.986651 0.000000 3.003717 5.136807 8.705450 9.392773 10.152840 4.644669 2.562955 2.987785 1.545716 2.547430 0.000000 3.600207 5.907015 9.662230 9.976035 10.954489 5.330109 2.991296 2.556332 2.553327 1.547287 1.546973 0.000000 2.388292 3.557109 5.491444 5.966125 6.596517 1.420298 1.533561 2.574701 2.563765 3.943148 3.934813 4.436055 0.000000 1.408349 1.241030 6.041899 5.276625 6.562160 1.418783 2.396259 3.497345 3.398155 4.328930 4.245229 4.968287 2.355538 0.000000 3.711336 4.819871 5.245366 6.327335 6.557858 2.489321 2.580828 3.204011 3.292816 4.667662 4.728976 5.073546 1.357707 3.665100 0.000000 3.663506 2.968796 3.750001 3.663178 4.240559 1.440372 3.769580 4.862980 4.687399 6.148464 6.008398 6.748318 2.542444 2.505922 3.081254 0.000000 4.379908 3.112971 4.225824 2.360917 3.742236 2.460261 4.753361 5.634392 5.860873 6.882954 7.064674 7.690705 3.650081 3.087961 4.185889 1.401861 0.000000 4.637313 4.104050 2.480042 4.231357 3.765067 2.462768 4.481959 5.695062 5.047645 7.006038 6.491918 7.374202 3.142476 3.617408 3.264442 1.416942 2.453695 0.000000 5.954340 5.076287 1.405416 3.775532 2.480279 3.747635 5.871082 7.028944 6.449302 8.372373 7.892830 8.780366 4.493831 4.815479 4.458109 2.434913 2.822965 1.408859 0.000000 5.764619 4.314224 3.702151 1.396881 2.446440 3.759502 6.094630 6.997651 7.113965 8.284301 8.378530 9.059986 4.879895 4.438119 5.193154 2.441727 1.418296 2.840343 2.453689 0.000000 6.453329 5.185805 2.395486 2.509142 1.408216 4.277540 6.582650 7.619589 7.383526 8.962609 8.761053 9.561921 5.236678 5.172356 5.316814 2.837291 2.465462 2.474240 1.431315 1.424009 0.000000 7.135807 6.791447 1.465566 6.201038 4.233827 5.160768 6.692167 7.920195 6.770900 9.211162 8.249587 9.254808 5.401936 6.303391 5.004296 4.278638 5.118436 2.864111 2.453956 4.905138 3.737202 0.000000 7.910426 6.077236 5.303935 1.473918 2.822291 6.135458 8.444447 9.262700 9.507930 10.472845 10.684745 11.350821 7.322367 6.544411 7.655312 4.898696 3.699034 5.218695 4.451729 2.496921 3.044176 6.722607 0.000000 8.656611 7.175205 2.941478 4.031207 1.480093 6.562332 8.841749 9.986798 9.448609 11.292811 10.819768 11.770819 7.525308 7.344276 7.545474 5.152656 4.803229 4.473466 3.129245 3.574554 2.461040 4.306976 3.553307 0.000000 2.668691 4.406341 8.081641 7.235970 8.660757 3.465880 2.169988 1.105300 3.508878 2.199068 3.980780 3.520363 2.780409 3.426847 3.412552 4.685436 5.206047 5.700684 6.942864 6.562656 7.338659 8.126983 8.696793 9.767830 0.000000 3.418511 5.489972 8.109018 8.279673 9.191403 4.027489 2.156413 1.108190 2.853052 2.188567 3.416273 2.849286 2.801233 4.320828 2.937650 5.245182 6.105065 5.890822 7.193296 7.390205 7.879416 7.844907 9.722415 10.231542 1.780500 0.000000 3.418907 5.386807 7.239202 8.673206 8.966892 3.918222 2.158598 2.849880 1.108408 3.410206 2.190449 2.843978 2.790066 4.236787 3.038382 5.074949 6.325317 5.235120 6.599368 7.506446 7.640562 6.620306 9.968511 9.681025 3.847355 2.691458 0.000000 2.671879 4.196805 6.619178 7.939527 8.270386 3.257160 2.175911 3.509314 1.106148 3.982063 2.198623 3.518665 2.761672 3.254076 3.550021 4.371433 5.610323 4.554963 5.916094 6.768454 6.917611 6.127107 9.130563 8.816612 4.324689 3.850210 1.782315 0.000000 2.692115 4.717219 9.582447 8.828287 10.333819 4.730207 2.847905 2.173272 3.391047 1.106647 2.818941 2.180281 4.253414 4.011632 5.209214 6.138604 6.735797 7.125084 8.466966 8.153980 8.944803 9.506102 10.210212 11.247666 2.495043 3.092078 4.081825 4.203239 0.000000 4.002894 6.148469 10.237125 9.700054 11.088327 5.598627 3.510254 2.178649 3.990293 1.106565 3.512466 2.195614 4.746049 5.258224 5.298274 6.966895 7.615888 7.857102 9.194183 9.005732 9.732038 10.057411 11.144185 12.113176 2.538966 2.497016 4.236783 5.030443 1.781705 0.000000 3.999285 5.991014 9.117842 10.236577 10.782428 5.468766 3.513893 3.993554 2.179200 3.512487 1.106696 2.195086 4.736436 5.140732 5.393460 6.756214 7.897197 7.062754 8.438880 9.155434 9.414502 8.511638 11.484815 11.351723 5.031142 4.246845 2.503743 2.537662 3.831301 4.362382 0.000000 2.683813 4.588662 8.866982 9.181850 10.130429 4.631598 2.845086 3.386596 2.172989 2.816989 1.106553 2.180223 4.241053 3.913262 5.262250 5.988683 6.923277 6.597246 7.971451 8.248519 8.731123 8.539133 10.430612 10.751139 4.195036 4.082207 3.093972 2.497220 2.636529 3.830778 1.782197 0.000000 4.344800 6.677147 9.767644 10.425170 11.213597 5.740921 3.390831 2.838350 2.832988 2.185240 2.184781 1.110456 4.635245 5.629904 4.980361 7.100732 8.122198 7.592661 8.983749 9.449946 9.849963 9.245405 11.816615 12.054508 3.856319 2.682261 2.673445 3.851037 3.095682 2.510955 2.511373 3.095579 0.000000 4.360341 6.574467 10.681989 10.863294 11.944043 6.285468 4.000125 3.514353 3.512035 2.188759 2.188547 1.106504 5.487802 5.761634 6.175241 7.717116 8.608727 8.380917 9.787777 9.994264 10.543183 10.273697 12.225752 12.733943 4.361398 3.855520 3.851195 4.360611 2.502523 2.538531 2.536635 2.504238 1.780547 0.000000 4.516705 5.191996 4.439070 5.786635 5.718380 2.806943 3.574166 4.220197 4.285661 5.717602 5.765763 6.164704 2.148412 4.168920 1.092486 2.854318 3.862527 2.767561 3.731004 4.626808 4.580191 4.293042 7.044270 6.745501 4.268853 3.949098 4.022262 4.374930 6.210884 6.317351 6.394817 6.252796 6.059112 7.265505 0.000000 4.214274 5.682357 6.110266 7.371650 7.555114 3.458682 2.830400 3.087463 3.284095 4.451468 4.590978 4.722104 2.128308 4.472165 1.092607 4.170090 5.257123 4.288980 5.450722 6.263623 6.356404 5.694667 8.709943 8.538177 3.476856 2.467227 2.719573 3.766460 5.193488 4.952220 5.168881 5.314414 4.406638 5.822029 1.869325 0.000000 4.162441 2.785608 5.316617 2.525740 4.604401 2.711417 4.745136 5.431555 6.007580 6.572922 7.049253 7.539999 3.891850 2.935452 4.597951 2.182377 1.091716 3.451187 3.914331 2.162130 3.442242 6.191225 3.922538 5.683331 4.847893 6.026265 6.575413 5.882219 6.305041 7.239463 7.971144 6.812531 8.060702 8.389672 4.450432 5.606734 0.000000 4.587890 4.494797 2.766640 5.321864 4.661958 2.673079 4.202108 5.496079 4.463311 6.753641 5.947661 6.910041 2.954507 3.825066 2.947033 2.173999 3.434997 1.091982 2.186837 3.931942 3.470485 2.554106 6.293683 5.214779 5.707441 5.588831 4.521304 3.899912 6.979024 7.637754 6.390431 6.168971 7.039513 7.924563 2.594483 3.833884 4.345811 0.000000 6.707958 6.386202 2.134579 6.517049 4.810991 4.946222 6.349167 7.695269 6.248584 8.868468 7.654521 8.786983 5.225967 5.932414 5.033860 4.239928 5.216803 2.870673 2.800267 5.178547 4.144404 1.107253 7.069952 4.753653 8.003229 7.701515 6.176353 5.477804 9.113914 9.785053 7.838391 7.889107 8.836214 9.755737 4.531807 5.721155 6.247253 2.334638 0.000000 6.843033 6.813300 2.131235 6.399251 4.691021 4.883779 6.193365 7.298465 6.297413 8.636768 7.814610 8.693117 4.863564 6.148531 4.237882 4.159342 5.113066 2.828981 2.752522 5.081924 4.066607 1.106916 7.100286 5.052080 7.523725 7.098730 6.009334 5.798404 9.037653 9.415795 8.096005 8.222699 8.583790 9.745443 3.480917 4.819084 6.141772 2.364438 1.810280 0.000000 8.225225 7.853115 2.048216 6.946241 4.633354 6.259753 7.753406 8.965065 7.762801 10.254732 9.228569 10.246651 6.469897 7.396479 5.991168 5.345340 6.099435 3.936717 3.329386 5.729097 4.440637 1.099855 7.301861 4.471490 9.186426 8.837242 7.549672 7.101895 10.577343 11.090270 9.424002 9.545126 10.188300 11.261962 5.239208 6.606296 7.184783 3.647718 1.804952 1.805270 0.000000 8.606580 6.922398 5.110508 2.134404 2.385137 6.669271 8.986568 9.791859 10.025529 11.086045 11.287840 11.942749 7.746054 7.259009 7.897842 5.342761 4.259170 5.448439 4.477134 2.914185 3.058758 6.563887 1.100738 3.155254 9.240202 10.146506 10.384012 9.651638 10.912792 11.735197 12.061738 11.120432 12.326277 12.866190 7.161695 8.921085 4.635274 6.496806 7.061101 6.934220 7.017376 0.000000 8.356688 6.453211 6.392996 2.045865 3.900707 6.762544 8.993812 9.705989 10.140911 10.851857 11.235560 11.825201 7.967395 7.022893 8.371116 5.645797 4.334834 6.142273 5.486403 3.335871 4.092826 7.800995 1.101173 4.591401 9.050764 10.222682 10.657303 9.820633 10.515608 11.469863 12.087088 10.920503 12.342406 12.655034 7.820588 9.411636 4.296803 7.227035 8.127807 8.144917 8.398642 1.814607 0.000000 7.923818 5.946417 5.128399 2.135838 2.859616 6.207866 8.544397 9.505240 9.480422 10.656512 10.630077 11.426694 7.475857 6.521703 7.901078 4.967604 3.910518 5.167604 4.365747 2.748467 3.070195 6.527291 1.107082 3.156556 9.033423 10.015060 9.991110 8.987819 10.350475 11.409369 11.368269 10.317925 11.934800 12.275557 7.334224 8.982459 4.227541 6.191153 6.747375 7.054029 7.076249 1.805720 1.805108 0.000000 8.508822 6.809317 3.574815 3.918347 2.135826 6.569588 8.876308 10.070336 9.476823 11.288144 10.761814 11.767804 7.674869 7.153498 7.885403 5.214087 4.768210 4.702433 3.521754 3.591264 2.772489 4.891501 3.295296 1.108287 9.845021 10.427800 9.827468 8.793546 11.139448 12.147043 11.301077 10.582107 12.146572 12.677852 7.195772 8.921905 5.547837 5.476178 5.119767 5.699365 5.152073 3.185003 4.257860 2.585556 0.000000 8.611557 7.319096 2.266034 4.806593 2.133714 6.515418 8.681274 9.898604 9.127062 11.199108 10.525148 11.543199 7.362352 7.372856 7.304760 5.165659 5.115123 4.225366 2.892594 4.074847 2.762702 3.456690 4.540704 1.101885 9.796815 10.080338 9.285567 8.437088 11.221408 12.053352 10.966229 10.520102 11.768671 12.516816 6.505916 8.245834 6.096972 4.769306 3.890171 4.319667 3.491218 4.190262 5.607901 4.115155 1.812854 0.000000 9.684863 8.187322 3.771647 4.587298 2.061583 7.560260 9.845016 10.937975 10.487277 12.276648 11.876418 12.792863 8.491415 8.367114 8.432538 6.132156 5.688383 5.470473 4.091243 4.369732 3.339342 5.084827 3.857516 1.100805 10.674365 11.147996 10.684637 9.879947 12.244497 13.064294 12.416640 11.824408 13.052110 13.768903 7.570563 9.401140 6.516057 6.208395 5.639785 5.797131 5.077160 3.204136 4.790254 3.571286 1.809589 1.809274 0.000000 C18H23NO5 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 0 310.1962999999998 AuxInfo=1/0/N:15,22,23,24,12,10,11,8,9,18,17,13,16,19,20,21,14,7,6,2,3,4,5,1/E:(2,3)(6,7)(8,9)(10,11)(14,15)(21,22)/CRV:1.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,20.1/rA:47OO1OOONCCCCCCC3C3C3C3C3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s1;s7;s7;s8;s9;s10s11;s6s7;s1s2s6;s13;s6;s16;s16;s3s18;s4s17;s5s19s20;s3;s4;s5;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s15;s15;s17;s18;s22;s22;s22;s23;s23;s23;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5107044 0.1151012 0.1017326 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= 18145 NPrTT= 92379 LenC2= 15033 LenP2D= 46562. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 286 RedAO= T EigKep= 2.99D-04 NBF= 286 NBsUse= 286 1.00D-06 EigRej= -1.00D+00 NBFU= 286 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= 273 274 274 274 274 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 0 1 -1128.63371772050 -1128.50176122873 0.131956491773 -1128.93299275246 -0.431231523734 -1128.94851860280 -0.015525850339 -1129.03497681196 -0.086458209157 -1129.10593622554 -0.070959413579 -1129.10685524861 -0.000919023076 -1129.10729124042 -0.000435991805 -1129.10733471216 -0.000043471746 -1129.10733925067 -0.000004538510 -1129.10786296069 -0.000523710019 -1129.10786324143 -0.000000280734 -1129.10786347527 -0.000000233842 -1129.10786395497 -0.000000479697 -1129.10786397983 -0.000000024862 -1129.10786398256 -0.000000002732 -1129.10786398288 -0.000000000317 -1129.10786398290 -0.000000000024 -1129.10786398295 -0.000000000052 -1129.10786398 19 1.123744087102e+03 -6.869575182465e+03 2.499907985406e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=854290109. IVT= 267940 IEndB= 267940 NGot= 939524096 MDV= 97053796 LenX= 97053796 LenY= 96971559 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= 41041 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= 47. Will process 48 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 939523336 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=854036042. 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= 41041 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 1.75D-14 1.00D-09 XBig12= 4.11D+02 9.42D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 1.75D-14 1.00D-09 XBig12= 1.56D+02 2.32D+00. 141 vectors produced by pass 2 Test12= 1.75D-14 1.00D-09 XBig12= 7.17D-01 8.31D-02. 141 vectors produced by pass 3 Test12= 1.75D-14 1.00D-09 XBig12= 3.60D-04 1.38D-03. 88 vectors produced by pass 4 Test12= 1.75D-14 1.00D-09 XBig12= 3.96D-08 1.07D-05. 9 vectors produced by pass 5 Test12= 1.75D-14 1.00D-09 XBig12= 3.93D-12 1.99D-07. 3 vectors produced by pass 6 Test12= 1.75D-14 1.00D-09 XBig12= 1.50D-15 2.70D-09. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 664 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 226.24 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 300.202 8.813 222.395 4.938 8.587 156.114 446.680 12.355 438.199 3.132 44.243 288.928 (Enter /mnt/data/applications/G09/g09/l716.exe) PT5456.700S 2018-04-23T05:35:10.000+02:00 -18.80361 -18.80003 -18.78510 -18.78309 -18.74969 -14.05939 -10.04556 -9.98115 -9.97465 -9.96873 -9.96277 -9.96130 -9.96049 -9.95637 -9.94008 -9.93864 -9.91125 -9.90639 -9.90474 -9.90284 -9.89468 -9.89379 -9.89353 -9.89316 -1.01650 -0.98236 -0.96454 -0.94675 -0.93984 -0.88519 -0.78046 -0.76668 -0.71731 -0.69560 -0.69276 -0.67964 -0.66215 -0.65285 -0.63458 -0.62177 -0.58251 -0.57801 -0.56015 -0.55161 -0.53948 -0.52416 -0.50625 -0.47702 -0.46726 -0.46145 -0.44662 -0.44261 -0.43587 -0.42487 -0.42442 -0.41182 -0.40961 -0.40387 -0.40098 -0.39278 -0.38934 -0.38632 -0.38372 -0.37804 -0.36850 -0.36408 -0.35666 -0.35254 -0.35123 -0.34290 -0.34206 -0.33938 -0.31857 -0.31016 -0.30769 -0.30425 -0.30104 -0.28578 -0.27932 -0.27705 -0.27587 -0.27289 -0.26335 -0.24347 -0.23249 -0.22866 -0.20427 -0.19302 -0.18492 -0.04482 -0.03650 -0.02823 0.01110 0.01422 0.03879 0.04628 0.05923 0.07585 0.08353 0.08481 0.09116 0.09846 0.09932 0.10870 0.11048 0.11117 0.12127 0.12779 0.13250 0.13401 0.13791 0.14410 0.15267 0.15712 0.15949 0.16175 0.16538 0.16749 0.16967 0.17289 0.17910 0.18056 0.18435 0.19079 0.19103 0.19617 0.19979 0.20191 0.20699 0.21075 0.21396 0.21434 0.21771 0.22708 0.23266 0.23601 0.23659 0.24663 0.25361 0.25797 0.26324 0.26664 0.27601 0.28045 0.28805 0.29028 0.29619 0.29856 0.30280 0.30388 0.31191 0.31572 0.32198 0.33317 0.33682 0.34637 0.35065 0.35155 0.35835 0.36686 0.37188 0.38073 0.38539 0.38762 0.39330 0.39904 0.41281 0.41501 0.41920 0.42486 0.42978 0.43429 0.44510 0.44916 0.45663 0.46132 0.46565 0.47740 0.49099 0.49602 0.51341 0.51572 0.52564 0.53445 0.55544 0.56276 0.56610 0.58108 0.58926 0.60557 0.62062 0.63553 0.64362 0.65862 0.67026 0.68019 0.69345 0.72186 0.74345 0.74532 0.76715 0.77730 0.78981 0.79800 0.80466 0.81682 0.82659 0.84010 0.85121 0.85377 0.86885 0.89322 0.89777 0.90459 0.91549 0.92312 0.94049 0.94778 0.95728 0.97287 0.98034 0.99041 1.00358 1.01257 1.02361 1.02623 1.03579 1.04707 1.05586 1.06867 1.07751 1.09100 1.10669 1.11353 1.12062 1.12507 1.13357 1.14142 1.15758 1.16908 1.17213 1.17751 1.17869 1.18785 1.19827 1.21339 1.22063 1.23189 1.24649 1.26578 1.27218 1.35686 1.37878 1.40011 1.42790 1.45164 1.51316 1.69101 1.73069 1.77285 1.80687 1.81887 22.27770 22.39046 22.41230 22.50227 22.51334 22.53411 22.54485 22.55124 22.58367 22.59930 22.62802 22.66823 22.67015 22.67659 22.68086 22.68921 22.71109 22.78808 31.53042 41.53344 41.54144 41.55863 41.57533 41.57819 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 O O O O O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.273706 -0.213450 -0.283131 -0.280098 -0.290109 -0.400833 0.207200 -0.465081 -0.463061 -0.398614 -0.395121 -0.390003 0.457381 0.185192 -0.722664 0.542075 -0.541159 -0.586156 0.300889 0.281626 0.036065 -0.533024 -0.499113 -0.521910 0.230589 0.202998 0.208148 0.223761 0.230051 0.200233 0.199478 0.229992 0.188754 0.208115 0.249649 0.223281 0.286686 0.280607 0.223370 0.227564 0.245374 0.252328 0.229733 0.205658 0.205573 0.264184 0.230679 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 N C C C C C C C C C C C C C C C C C C -0.273706 -0.213450 -0.283131 -0.280098 -0.290109 -0.400833 0.207200 -0.031494 -0.031153 0.031671 0.034349 0.006866 0.457381 0.185192 -0.249735 0.542075 -0.254472 -0.305549 0.300889 0.281626 0.036065 0.163284 0.188607 0.178527 0.00000 -1.15911941e-01 2.09209611e+00 1.98598040e-01 3.00202129e+02 8.81317183e+00 2.22394906e+02 4.93796495e+00 8.58728848e+00 1.56114339e+02 -24.8944 -11.4249 0.0004 0.0005 0.0009 6.6494 10.8798 25.1696 45.1889 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -19.3376 24.4169 45.1812 51.4248 67.6505 82.5106 99.0966 103.7838 112.2080 122.7436 151.0401 164.2015 170.4108 179.9730 199.7359 202.6923 210.8577 235.9132 253.5336 261.7519 267.8207 283.0583 290.2241 309.0085 359.4203 361.2796 387.4939 391.6689 415.9789 449.4055 471.3933 482.5357 507.3515 517.0894 566.3371 579.0101 596.8491 603.7693 615.4126 645.9951 675.0829 679.4623 697.5543 709.7501 740.8176 755.5876 772.6089 814.5568 828.4103 844.4244 846.6500 862.4157 864.8365 872.9695 905.9905 910.1608 924.0059 943.7902 946.8989 963.9528 1004.9961 1038.9166 1049.3412 1070.0069 1073.1268 1092.6264 1095.9153 1108.8103 1109.7247 1112.4087 1118.9599 1144.3463 1144.9154 1153.6525 1156.5585 1159.4833 1182.5637 1201.3110 1213.5170 1223.5382 1254.5186 1269.3508 1273.3214 1295.1065 1321.8286 1338.8959 1341.0894 1345.0164 1360.5497 1367.1303 1387.9348 1406.9955 1420.2669 1425.0054 1442.6223 1443.9915 1447.3840 1453.8667 1455.1463 1455.5207 1458.8701 1465.3894 1468.7937 1470.4871 1471.9309 1476.3805 1482.8098 1483.6952 1583.8554 1608.4718 1660.7556 1714.1239 2962.6398 2964.0275 2967.2057 2978.1165 2980.9658 2989.1389 2993.3360 2993.6387 3035.4887 3042.4790 3049.5697 3052.6096 3056.3420 3063.4271 3079.3980 3089.3981 3125.1305 3125.7370 3125.9939 3127.0867 3179.7486 3191.8404 3231.6477 4.5430 4.1493 4.3156 3.0265 4.6344 3.4123 3.5165 1.6585 3.8459 4.5665 1.6500 3.6673 4.3795 1.4907 2.7224 2.0588 1.6767 4.8194 4.9006 2.1028 2.7582 2.8040 2.9389 4.9120 2.6442 2.6299 3.0022 4.7186 5.1216 4.2887 3.6036 4.9576 2.1312 5.8644 4.0457 4.3087 4.1882 6.1187 4.1433 4.6162 4.0789 2.2303 3.2436 2.4302 4.5466 3.8442 1.5176 3.0548 1.5212 2.8811 2.3948 1.5505 1.5761 5.1354 2.5532 2.4381 1.4276 2.3928 8.9330 6.6989 3.2703 2.8826 2.0227 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