Gaussian 09 GINC-KIMIK2159 CBGUSER 000009248 EM64L-G09RevD.01 16-Apr-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 160.12779999999998 0 1 AuxInfo=1/0/N:12,13,10,11,8,9,6,7,4,5,2,3,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:35OCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1s2;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11s12;s2;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-3619.inp" -scrdir="/scratch/" chk=000009248.chk nprocshared=12 mem=21GB #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 000009248 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 16 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 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 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 (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 1 1 2 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 2 3 3 4 14 5 15 6 16 17 7 18 19 8 20 21 9 22 23 10 24 25 11 26 27 12 28 29 13 30 31 13 32 33 34 35 1.4357 1.4359 1.5121 1.4957 1.0792 1.499 1.0813 1.5332 1.0962 1.098 1.5326 1.097 1.0959 1.5376 1.0983 1.0939 1.5318 1.0976 1.0967 1.531 1.097 1.0976 1.5306 1.0928 1.0972 1.5329 1.088 1.0978 1.5362 1.0973 1.093 1.5346 1.0978 1.0927 1.0971 1.0969 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 1 1 3 3 4 1 1 2 2 5 2 2 2 6 6 16 3 3 3 7 7 18 4 4 4 8 8 20 5 5 5 9 9 22 6 6 6 10 10 24 7 7 7 11 11 26 8 8 8 12 12 28 9 9 9 13 13 30 10 10 10 13 13 32 11 11 11 12 12 34 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 4 14 4 14 14 5 15 5 15 15 6 16 17 16 17 17 7 18 19 18 19 19 8 20 21 20 21 21 9 22 23 22 23 23 10 24 25 24 25 25 11 26 27 26 27 27 12 28 29 28 29 29 13 30 31 30 31 31 13 32 33 32 33 33 12 34 35 34 35 35 113.9061 115.842 121.987 120.4036 113.7671 113.6599 116.6505 121.0557 120.3622 114.2716 114.2594 109.2457 109.0709 110.1061 107.6806 106.1503 113.0942 108.3613 110.7945 108.0535 110.097 106.147 115.5589 106.5357 110.3277 106.3966 111.3925 105.9828 115.1027 108.5648 108.9587 107.8846 109.4865 106.4949 115.7931 109.0874 108.3294 108.919 108.1257 106.1594 113.7461 108.4508 108.4775 111.0758 108.6032 106.1858 113.4319 109.6999 108.3305 111.7867 107.8142 105.3846 113.348 108.649 110.8001 108.3078 109.5592 105.8684 113.4936 108.1293 111.6724 108.2913 109.6442 105.2082 115.1498 108.7155 108.6753 108.4371 109.0455 106.4736 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 4 4 14 14 1 1 1 3 3 3 14 14 14 1 1 1 2 2 2 15 15 15 2 2 2 16 16 16 17 17 17 3 3 3 18 18 18 19 19 19 4 4 4 20 20 20 21 21 21 5 5 5 22 22 22 23 23 23 6 6 6 24 24 24 25 25 25 7 7 7 26 26 26 27 27 27 8 8 8 28 28 28 29 29 29 9 9 9 30 30 30 31 31 31 10 10 10 32 32 32 33 33 33 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 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 12 12 12 12 12 12 12 12 12 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 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 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 5 15 5 15 6 16 17 6 16 17 6 16 17 7 18 19 7 18 19 7 18 19 8 20 21 8 20 21 8 20 21 9 22 23 9 22 23 9 22 23 10 24 25 10 24 25 10 24 25 11 26 27 11 26 27 11 26 27 12 28 29 12 28 29 12 28 29 13 30 31 13 30 31 13 30 31 13 32 33 13 32 33 13 32 33 12 34 35 12 34 35 12 34 35 11 34 35 11 34 35 11 34 35 159.6555 4.3048 3.1062 -152.2445 -146.179 89.9921 -25.63 -79.8921 156.2789 40.6568 78.0811 -45.7479 -161.37 179.1866 59.4175 -56.6533 -114.8494 125.3815 9.3107 41.8998 -77.8692 166.06 -78.5957 163.4746 48.874 44.7702 -73.1595 172.2398 160.0847 42.155 -72.4456 55.5619 -65.4417 178.9594 175.5074 54.5038 -61.0951 -68.9787 170.0177 54.4188 81.4334 -41.8161 -156.9591 -160.5594 76.191 -38.952 -45.5017 -168.7513 76.1057 64.5335 -59.5867 -174.5046 -174.0929 61.7869 -53.131 -58.5833 177.2965 62.3786 70.3383 -55.4533 -170.0026 -166.3238 67.8847 -46.6647 -51.3779 -177.1694 68.2812 -174.5507 64.9998 -50.9065 -51.8608 -172.3103 71.7834 64.5578 -55.8917 -171.798 -158.3651 81.4751 -33.811 -33.6928 -153.8526 90.8614 81.6816 -38.4782 -153.7642 60.2618 -61.605 -177.1077 -179.0955 59.0377 -56.4651 -64.059 174.0742 58.5714 64.6187 -173.3644 -57.8134 -175.3134 -53.2965 62.2545 -61.0237 60.9933 176.5442 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 210 210 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 35 35 35 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= 7503 NPrTT= 36924 LenC2= 7204 LenP2D= 24482. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 174 RedAO= T EigKep= 1.62D-03 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 Using GEDIIS/GDIIS optimizer. local minimum Step number 8 out of a maximum of 210 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00187 0.00313 0.00327 0.00427 0.00496 0.00604 0.01027 0.01030 0.01776 0.01813 0.02327 0.02396 0.03098 0.03309 0.03342 0.03345 0.03437 0.03807 0.03876 0.04363 0.04499 0.04590 0.04697 0.04743 0.04779 0.04793 0.04878 0.04961 0.05452 0.05710 0.06669 0.07230 0.07874 0.08559 0.08575 0.08597 0.08622 0.08652 0.08665 0.08737 0.08862 0.08991 0.09121 0.09560 0.12192 0.12390 0.12414 0.12459 0.12661 0.12707 0.12721 0.13185 0.13254 0.14427 0.14478 0.15702 0.16262 0.19283 0.21459 0.21927 0.21947 0.22525 0.24962 0.26098 0.27987 0.28525 0.28845 0.28978 0.29052 0.29200 0.29311 0.29499 0.29912 0.30673 0.31560 0.32659 0.33884 0.33894 0.33918 0.33935 0.33949 0.33980 0.33982 0.33993 0.34014 0.34019 0.34030 0.34051 0.34087 0.34129 0.34201 0.34426 0.34481 0.34512 0.35032 0.35264 0.35485 0.36042 0.36610 RFO step: Lambda=-1.21242815D-07. 1 2 0.00104372 0.00000080 0.00000130 0.00000110 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 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 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 2.87199 2.86789 2.84018 2.87295 2.07655 2.87466 2.08287 2.94133 2.09551 2.09325 2.93544 2.09407 2.09072 2.93720 2.09459 2.09498 2.92786 2.09684 2.09516 2.93317 2.09699 2.09722 2.92336 2.09207 2.09655 2.93044 2.08728 2.09561 2.93515 2.09639 2.09283 2.93352 2.09537 2.09194 2.09696 2.09688 2.01342 1.94277 2.14646 2.02747 2.03937 2.01596 1.95835 2.15282 2.03898 2.01744 2.02818 1.89790 1.86953 1.90452 1.89970 1.85643 1.98079 1.88697 1.90472 1.89661 1.93555 1.85428 2.03444 1.86161 1.90874 1.88291 1.92047 1.84533 2.00595 1.89505 1.89181 1.89861 1.91140 1.85512 2.02351 1.89343 1.89238 1.91025 1.88567 1.85101 1.99564 1.89470 1.90302 1.91480 1.89785 1.85245 1.98601 1.90825 1.90404 1.91398 1.89948 1.84688 1.98950 1.90034 1.91453 1.89917 1.90894 1.84578 1.99438 1.90121 1.91566 1.90198 1.90126 1.84326 2.00177 1.89962 1.89846 1.89688 1.90522 1.85644 2.70152 -0.01789 -0.03410 -2.75351 -2.74099 1.38600 -0.61364 -1.52416 2.60283 0.60319 1.20890 -0.94729 -2.94693 3.13026 1.02499 -0.98476 -1.93000 2.24791 0.23817 0.79414 -1.31113 2.96231 -1.25630 2.92323 0.93531 0.89646 -1.20720 3.08807 2.91556 0.81190 -1.17602 1.00615 -1.12423 -3.13247 3.10598 0.97559 -1.03265 -1.14520 3.00759 0.99935 1.40272 -0.75406 -2.75691 -2.78817 1.33823 -0.66462 -0.78298 -2.93976 1.34058 1.14070 -1.00333 -3.01417 -3.01402 1.12513 -0.88572 -0.99332 -3.13735 1.13499 1.21520 -0.93126 -2.94341 -2.92000 1.21673 -0.79542 -0.91193 -3.05839 1.21265 -3.05363 1.10571 -0.90650 -0.92054 -3.04438 1.22659 1.09842 -1.02543 -3.03764 -2.78734 1.36440 -0.64591 -0.64401 -2.77545 1.49742 1.36874 -0.76270 -2.77302 1.02861 -1.10011 -3.11589 -3.13009 1.02437 -0.99141 -1.12156 3.03290 1.01712 1.09928 -3.05370 -1.03575 -3.05289 -0.92269 1.09526 -1.04997 1.08024 3.09819 -0.00003 0.00001 -0.00001 0.00010 0.00004 0.00010 0.00004 0.00000 0.00002 0.00001 -0.00002 0.00001 0.00002 0.00003 0.00000 0.00002 0.00003 0.00001 0.00002 0.00005 0.00001 0.00002 0.00004 0.00002 0.00001 0.00004 0.00005 0.00000 0.00001 0.00001 0.00001 0.00002 0.00001 0.00000 0.00001 0.00002 0.00000 0.00001 0.00002 0.00000 -0.00002 0.00002 0.00000 0.00002 0.00000 -0.00002 -0.00002 0.00000 -0.00001 0.00001 0.00002 0.00000 0.00001 -0.00002 -0.00002 0.00002 0.00000 0.00000 -0.00002 0.00000 0.00000 0.00002 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00002 -0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 0.00000 -0.00002 0.00000 0.00000 0.00002 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00002 0.00000 -0.00002 0.00000 0.00000 0.00001 0.00002 0.00000 -0.00002 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00002 -0.00002 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00002 0.00000 0.00002 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00029 -0.00022 -0.00012 0.00024 0.00014 0.00030 0.00016 0.00013 0.00011 0.00005 0.00007 0.00007 0.00005 0.00012 -0.00003 0.00010 0.00009 0.00002 0.00009 0.00014 0.00010 0.00006 0.00013 0.00008 0.00006 0.00014 0.00014 0.00004 0.00006 0.00006 0.00006 0.00014 0.00003 0.00006 0.00007 0.00008 0.00012 0.00023 0.00001 0.00004 -0.00018 0.00011 0.00021 -0.00003 0.00008 -0.00016 -0.00014 -0.00001 -0.00011 0.00001 0.00023 0.00004 0.00003 -0.00003 -0.00021 0.00019 0.00001 0.00001 -0.00003 0.00002 -0.00008 0.00019 -0.00004 -0.00004 -0.00004 -0.00001 -0.00004 0.00011 -0.00006 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0.00036 0.00019 0.00021 -0.00024 -0.00022 -0.00021 0.00004 0.00006 0.00007 0.00007 0.00008 0.00010 0.00023 0.00019 0.00021 0.00046 0.00041 0.00043 0.00045 0.00041 0.00043 0.00003 0.00015 0.00002 0.00009 -0.00002 0.00006 -0.00002 -0.00010 -0.00004 0.00000 -0.00013 -0.00003 0.00000 -0.00001 0.00002 -0.00001 0.00001 0.00002 -0.00003 0.00004 -0.00004 0.00000 0.00002 -0.00001 -0.00004 -0.00001 0.00000 -0.00004 0.00001 -0.00002 0.00001 -0.00006 -0.00001 -0.00004 -0.00002 -0.00002 0.00002 0.00000 0.00012 -0.00006 -0.00007 0.00006 -0.00007 0.00008 0.00003 -0.00007 -0.00004 -0.00009 0.00003 0.00013 -0.00006 0.00002 -0.00008 -0.00005 -0.00007 0.00009 0.00008 0.00002 0.00010 -0.00002 -0.00005 -0.00005 0.00005 -0.00006 0.00001 0.00002 0.00000 -0.00007 0.00008 -0.00004 0.00015 0.00003 -0.00001 -0.00014 -0.00002 -0.00002 0.00011 0.00000 -0.00006 -0.00001 -0.00004 0.00001 0.00003 0.00005 -0.00006 0.00002 -0.00004 -0.00001 0.00009 -0.00006 -0.00005 0.00001 0.00000 0.00000 -0.00007 0.00011 -0.00007 0.00009 -0.00009 0.00002 0.00000 0.00014 -0.00007 -0.00001 -0.00007 0.00000 -0.00003 -0.00011 0.00002 -0.00006 -0.00058 -0.00066 -0.00066 -0.00048 -0.00056 -0.00056 -0.00053 -0.00061 -0.00060 0.00104 0.00101 0.00105 0.00107 0.00103 0.00107 0.00117 0.00114 0.00118 -0.00037 -0.00035 -0.00025 -0.00040 -0.00038 -0.00029 -0.00034 -0.00032 -0.00022 -0.00022 -0.00016 -0.00012 -0.00027 -0.00020 -0.00016 -0.00014 -0.00008 -0.00004 -0.00017 -0.00011 -0.00010 -0.00017 -0.00011 -0.00010 -0.00024 -0.00018 -0.00017 -0.00031 -0.00037 -0.00034 -0.00033 -0.00039 -0.00036 -0.00038 -0.00043 -0.00041 0.00025 0.00015 0.00017 0.00028 0.00019 0.00020 0.00017 0.00008 0.00010 -0.00091 -0.00095 -0.00088 -0.00085 -0.00089 -0.00082 -0.00088 -0.00091 -0.00085 0.00088 0.00072 0.00066 0.00099 0.00083 0.00077 0.00097 0.00081 0.00075 0.00052 0.00042 0.00038 0.00051 0.00041 0.00037 0.00052 0.00042 0.00038 -0.00046 -0.00028 -0.00032 -0.00028 -0.00011 -0.00015 -0.00026 -0.00008 -0.00012 -0.00026 -0.00007 -0.00010 0.00033 0.00012 0.00036 0.00015 0.00003 0.00007 0.00005 -0.00006 0.00004 0.00006 0.00011 -0.00001 0.00009 0.00011 0.00003 0.00006 0.00018 0.00007 0.00007 0.00014 0.00007 0.00003 0.00013 0.00014 0.00000 0.00006 0.00004 0.00007 0.00009 0.00003 0.00002 0.00005 0.00006 0.00014 0.00023 0.00012 -0.00002 -0.00025 0.00017 0.00014 0.00006 0.00010 -0.00023 -0.00018 -0.00010 -0.00008 0.00014 0.00017 0.00006 -0.00005 -0.00008 -0.00028 0.00028 0.00010 0.00003 0.00007 0.00000 -0.00013 0.00013 0.00001 -0.00010 -0.00002 0.00002 -0.00004 0.00004 0.00002 -0.00001 0.00035 -0.00006 0.00007 -0.00028 -0.00006 -0.00005 0.00003 0.00004 0.00004 -0.00020 0.00005 0.00003 0.00023 0.00010 -0.00023 -0.00019 0.00009 -0.00001 0.00015 0.00007 -0.00028 0.00010 -0.00007 0.00002 0.00001 0.00024 -0.00025 0.00011 -0.00013 0.00003 0.00000 0.00010 -0.00005 0.00000 -0.00005 0.00000 -0.00030 -0.00005 0.00015 0.00040 -0.00216 -0.00214 -0.00212 -0.00200 -0.00198 -0.00196 -0.00240 -0.00238 -0.00236 0.00208 0.00180 0.00196 0.00209 0.00182 0.00198 0.00192 0.00165 0.00180 0.00019 -0.00003 0.00015 0.00004 -0.00017 0.00001 0.00029 0.00007 0.00025 0.00022 0.00016 0.00019 0.00029 0.00024 0.00026 0.00054 0.00049 0.00052 -0.00007 0.00009 0.00015 0.00008 0.00024 0.00029 0.00004 0.00020 0.00025 -0.00057 -0.00037 -0.00045 -0.00053 -0.00033 -0.00042 -0.00051 -0.00031 -0.00040 -0.00035 -0.00034 -0.00025 -0.00040 -0.00039 -0.00030 -0.00064 -0.00062 -0.00054 -0.00106 -0.00134 -0.00125 -0.00113 -0.00141 -0.00132 -0.00117 -0.00145 -0.00136 0.00125 0.00092 0.00089 0.00139 0.00107 0.00103 0.00132 0.00100 0.00097 0.00028 0.00020 0.00017 0.00055 0.00047 0.00044 0.00059 0.00051 0.00048 -0.00022 -0.00009 -0.00012 0.00017 0.00031 0.00028 0.00020 0.00033 0.00031 2.87173 2.86781 2.84008 2.87328 2.07666 2.87502 2.08302 2.94135 2.09557 2.09330 2.93538 2.09411 2.09078 2.93731 2.09458 2.09506 2.92797 2.09687 2.09522 2.93336 2.09706 2.09729 2.92351 2.09214 2.09658 2.93057 2.08742 2.09561 2.93521 2.09643 2.09289 2.93360 2.09540 2.09196 2.09701 2.09693 2.01356 1.94299 2.14659 2.02746 2.03912 2.01613 1.95849 2.15287 2.03908 2.01721 2.02800 1.89780 1.86945 1.90466 1.89987 1.85650 1.98075 1.88689 1.90445 1.89689 1.93564 1.85431 2.03451 1.86161 1.90861 1.88304 1.92048 1.84523 2.00593 1.89506 1.89177 1.89866 1.91142 1.85511 2.02385 1.89337 1.89245 1.90997 1.88560 1.85096 1.99567 1.89474 1.90306 1.91461 1.89790 1.85249 1.98624 1.90835 1.90381 1.91378 1.89957 1.84687 1.98966 1.90041 1.91425 1.89927 1.90887 1.84580 1.99438 1.90146 1.91541 1.90209 1.90113 1.84329 2.00176 1.89972 1.89841 1.89689 1.90517 1.85645 2.70122 -0.01794 -0.03395 -2.75311 -2.74315 1.38386 -0.61576 -1.52616 2.60085 0.60123 1.20650 -0.94968 -2.94930 3.13233 1.02679 -0.98280 -1.92791 2.24973 0.24014 0.79606 -1.30949 2.96410 -1.25611 2.92320 0.93546 0.89651 -1.20737 3.08808 2.91585 0.81197 -1.17576 1.00637 -1.12407 -3.13228 3.10626 0.97582 -1.03239 -1.14466 3.00808 0.99987 1.40266 -0.75397 -2.75676 -2.78810 1.33847 -0.66433 -0.78294 -2.93956 1.34083 1.14014 -1.00370 -3.01462 -3.01456 1.12480 -0.88613 -0.99384 -3.13767 1.13459 1.21484 -0.93160 -2.94366 -2.92040 1.21634 -0.79572 -0.91257 -3.05901 1.21211 -3.05469 1.10437 -0.90775 -0.92166 -3.04579 1.22528 1.09725 -1.02688 -3.03900 -2.78609 1.36533 -0.64502 -0.64262 -2.77439 1.49845 1.37006 -0.76171 -2.77205 1.02888 -1.09991 -3.11572 -3.12954 1.02484 -0.99097 -1.12098 3.03341 1.01760 1.09905 -3.05380 -1.03587 -3.05272 -0.92238 1.09555 -1.04977 1.08057 3.09849 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000100 0.000016 0.005605 0.001044 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.641603e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 1 1 2 2 2 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 2 3 3 4 14 5 15 6 16 17 7 18 19 8 20 21 9 22 23 10 24 25 11 26 27 12 28 29 13 30 31 13 32 33 34 35 1.5198 1.5176 1.503 1.5203 1.0989 1.5212 1.1022 1.5565 1.1089 1.1077 1.5534 1.1081 1.1064 1.5543 1.1084 1.1086 1.5494 1.1096 1.1087 1.5522 1.1097 1.1098 1.547 1.1071 1.1094 1.5507 1.1045 1.1089 1.5532 1.1094 1.1075 1.5523 1.1088 1.107 1.1097 1.1096 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 1 1 3 3 4 1 1 2 2 5 2 2 2 6 6 16 3 3 3 7 7 18 4 4 4 8 8 20 5 5 5 9 9 22 6 6 6 10 10 24 7 7 7 11 11 26 8 8 8 12 12 28 9 9 9 13 13 30 10 10 10 13 13 32 11 11 11 12 12 34 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 4 14 4 14 14 5 15 5 15 15 6 16 17 16 17 17 7 18 19 18 19 19 8 20 21 20 21 21 9 22 23 22 23 23 10 24 25 24 25 25 11 26 27 26 27 27 12 28 29 28 29 29 13 30 31 30 31 31 13 32 33 32 33 33 12 34 35 34 35 35 115.3606 111.3123 122.9832 116.1656 116.8475 115.5058 112.2051 123.3473 116.8249 115.5908 116.2059 108.7418 107.1162 109.121 108.8447 106.3659 113.4909 108.1152 109.1326 108.6677 110.8986 106.2425 116.5646 106.6625 109.3628 107.8826 110.0345 105.7297 114.9325 108.5782 108.3926 108.7826 109.5152 106.2907 115.9383 108.4854 108.4253 109.4493 108.0407 106.0548 114.3417 108.5581 109.0353 109.7102 108.7387 106.1378 113.7899 109.3349 109.0936 109.6628 108.8322 105.8183 113.9902 108.8813 109.6945 108.8146 109.3741 105.7553 114.2693 108.9314 109.7594 108.9757 108.9339 105.611 114.6929 108.8401 108.774 108.6834 109.161 106.3665 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 4 4 14 14 1 1 1 3 3 3 14 14 14 1 1 1 2 2 2 15 15 15 2 2 2 16 16 16 17 17 17 3 3 3 18 18 18 19 19 19 4 4 4 20 20 20 21 21 21 5 5 5 22 22 22 23 23 23 6 6 6 24 24 24 25 25 25 7 7 7 26 26 26 27 27 27 8 8 8 28 28 28 29 29 29 9 9 9 30 30 30 31 31 31 10 10 10 32 32 32 33 33 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 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 12 12 12 12 12 12 12 12 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 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 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 5 15 5 15 6 16 17 6 16 17 6 16 17 7 18 19 7 18 19 7 18 19 8 20 21 8 20 21 8 20 21 9 22 23 9 22 23 9 22 23 10 24 25 10 24 25 10 24 25 11 26 27 11 26 27 11 26 27 12 28 29 12 28 29 12 28 29 13 30 31 13 30 31 13 30 31 13 32 33 13 32 33 13 32 33 12 34 35 12 34 35 12 34 35 11 34 35 11 34 35 11 34 154.7857 -1.0249 -1.9538 -157.7644 -157.0471 79.412 -35.1591 -87.3277 149.1314 34.5603 69.2651 -54.2758 -168.8469 179.3507 58.7275 -56.4226 -110.5809 128.7959 13.6458 45.5008 -75.1224 169.7276 -71.9805 167.4885 53.5893 51.3634 -69.1676 176.9332 167.0495 46.5185 -67.3807 57.6484 -64.4138 -179.4774 177.9593 55.8971 -59.1665 -65.6154 172.3224 57.2588 80.3701 -43.2046 -157.9592 -159.7506 76.6747 -38.08 -44.8612 -168.436 76.8094 65.3575 -57.4864 -172.6994 -172.6909 64.4652 -50.7478 -56.9132 -179.7572 65.0299 69.6256 -53.3575 -168.6449 -167.3035 69.7133 -45.574 -52.2496 -175.2327 69.4799 -174.9601 63.3528 -51.9386 -52.7429 -174.4299 70.2787 62.9346 -58.7525 -174.0439 -159.7028 78.1746 -37.0079 -36.8992 -159.0218 85.7958 78.4228 -43.6998 -158.8822 58.9349 -63.0316 -178.5275 -179.3411 58.6923 -56.8036 -64.2609 173.7725 58.2767 62.9839 -174.9644 -59.3443 -174.9177 -52.866 62.7541 -60.1588 61.893 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 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4.898620 5.248907 4.612114 4.514137 3.991640 3.964061 2.599896 2.606421 1.553214 1.552350 0.000000 2.175135 1.098861 2.218768 2.242262 2.838296 3.041879 3.870573 3.244276 3.802169 2.998117 3.641205 3.983875 4.320744 0.000000 2.186863 2.229094 1.102210 2.843059 2.231005 3.566424 2.806861 4.767193 3.320320 4.876034 4.376394 5.042082 5.330751 3.148145 0.000000 2.974425 2.150417 3.496674 1.108894 4.806458 2.187012 5.747289 2.837033 5.523053 3.775408 5.668402 4.934036 5.915965 2.547960 3.815116 0.000000 2.620265 2.128276 2.758891 1.107699 4.266104 2.182527 5.035089 3.561055 4.980281 4.434465 5.606642 5.129071 6.036492 3.099383 2.567684 1.774500 0.000000 2.798972 3.404276 2.142495 4.759164 1.108134 5.615475 2.177806 6.360441 3.547375 5.891546 4.215902 6.042848 5.664406 3.656326 2.654062 5.478507 4.828894 0.000000 2.796960 2.731753 2.154373 4.214126 1.106361 4.891788 2.205238 5.239571 2.934136 4.507447 2.971907 4.808789 4.361366 2.467433 3.113638 4.820892 4.687339 1.771391 0.000000 4.660799 3.506649 4.381375 2.154197 5.654730 1.108410 5.974282 2.168514 5.271329 3.528046 5.652705 4.088637 5.441819 4.041026 4.215370 2.537817 2.382597 6.502393 5.927730 0.000000 4.101815 2.827896 3.296565 2.189946 4.310475 1.108614 4.349399 2.196704 3.534022 2.792852 4.066168 2.895241 4.011641 3.340469 3.139631 3.100283 2.560520 5.250036 4.660189 1.767442 0.000000 4.254289 4.168360 2.846330 5.103309 2.177715 5.335261 1.109599 6.154472 2.176876 5.653389 3.535619 5.192155 4.773753 4.585495 2.656580 6.115685 5.096420 2.466761 3.102628 6.130600 4.534167 0.000000 4.739486 4.593472 3.505216 5.815065 2.174628 6.059069 1.108709 6.503649 2.185732 5.618486 2.830295 5.181448 4.306702 4.596975 3.837882 6.694064 6.089159 2.484923 2.505798 7.024261 5.382508 1.775000 0.000000 4.895192 3.527981 4.878697 2.771510 5.813586 2.177376 6.336478 1.109682 5.528411 2.188071 5.184929 3.534602 4.781603 3.305569 5.290039 2.510719 3.739942 6.764110 5.586759 2.599103 3.092838 6.910710 7.180326 0.000000 5.851975 4.382096 5.412345 3.539786 6.279405 2.176678 6.387346 1.109803 5.269316 2.169757 5.062724 2.766051 4.286880 4.342751 5.576645 3.720012 4.302257 7.313570 6.228748 2.348355 2.629362 6.838818 7.256548 1.773198 0.000000 4.158577 3.188997 2.750622 3.709612 2.834120 3.335198 2.172084 3.864458 1.107077 3.338521 2.184940 2.753003 2.796637 3.440945 2.771946 4.718057 4.074600 3.823517 3.271533 4.213095 2.459598 2.521406 3.090202 4.772836 4.425272 0.000000 5.561019 4.790807 4.083023 5.471219 3.549543 5.048272 2.180055 5.382153 1.109446 4.553449 2.174105 3.534761 2.861201 4.891828 4.082454 6.465807 5.798313 4.344688 3.946640 5.882183 4.115899 2.440335 2.544062 6.328912 5.804393 1.771797 0.000000 4.112798 2.710090 3.606213 3.130355 3.922010 2.837119 4.256730 2.182776 3.430488 1.104543 2.738470 2.185737 2.699295 2.050906 4.298521 3.488829 4.153871 4.972729 3.495727 3.884455 2.991955 5.079065 4.900962 2.580106 3.083268 3.078943 4.330325 0.000000 5.759736 4.313158 5.324358 4.305390 5.659446 3.557641 5.815113 2.182910 4.720965 1.108948 3.799153 2.178239 2.999007 3.669729 5.916344 4.424573 5.355893 6.722108 5.193118 4.337292 3.850799 6.620230 6.387096 2.424146 2.556913 4.356057 5.391920 1.765660 0.000000 5.724033 4.926147 4.584380 5.947129 3.644731 5.720137 2.870594 5.517423 2.175902 4.186330 1.109363 3.550325 2.180498 4.479176 5.146092 6.677055 6.611311 4.467621 3.302181 6.760305 5.156398 3.821768 2.652514 6.209786 6.111255 3.092101 2.485942 3.693492 4.630228 0.000000 4.302853 3.356110 3.397182 4.404655 2.838247 4.361968 2.795095 4.139923 2.185035 2.902962 1.107476 2.898486 2.186377 2.762072 4.164392 5.018172 5.189415 3.839800 2.285319 5.458945 4.051883 3.836058 3.079135 4.679028 4.934044 2.588533 3.090821 2.119228 3.440898 1.767593 0.000000 6.725755 5.255954 5.803369 5.129973 6.042507 3.892591 5.595936 2.990150 4.125993 2.179440 3.549844 1.108824 2.181442 4.974852 6.053393 5.649808 5.926333 7.146446 5.903563 4.500815 3.580883 6.178811 6.174787 3.875218 2.747781 3.732652 4.318085 3.070395 2.399109 4.350875 3.904775 0.000000 5.434229 4.058160 4.341335 3.984117 4.698699 2.847851 4.209075 2.692109 2.806979 2.188816 2.858849 1.107006 2.179554 4.076328 4.420778 4.768916 4.599541 5.771661 4.821777 3.565349 2.154159 4.630021 4.973780 3.769179 2.809536 2.128233 3.084477 2.698688 3.072284 3.856692 3.273494 1.765104 0.000000 6.826451 5.624444 5.601982 6.067833 5.242207 5.210389 4.325505 4.759035 2.865044 3.541489 2.181051 2.178247 1.109662 5.318271 5.882596 6.815787 6.754935 6.243803 5.130016 6.041551 4.546505 4.956685 4.546750 5.668851 4.902240 3.154277 2.679478 3.761015 3.922478 2.491862 3.093468 2.453403 2.510709 0.000000 6.543859 5.301994 5.612622 5.856385 5.244585 5.178538 4.777661 4.354842 3.538075 2.847577 2.180155 2.184442 1.109619 4.676984 6.183042 6.371109 6.749770 6.268598 4.779118 6.116419 4.855640 5.667031 4.945164 4.996024 4.668693 3.817925 3.844249 2.925579 2.825072 2.478443 2.495789 2.525272 3.093069 1.776659 0.000000 0.7966515 0.7084766 0.4207570 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= 173 173 173 173 173 MxSgAt= 35 MxSgA2= 35. 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 35 35 35 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 35 35 35 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 35 35 35 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 35 35 35 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 35 35 35 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 35 35 35 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 35 35 35 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= 7503 NPrTT= 36924 LenC2= 7181 LenP2D= 24302. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 174 RedAO= T EigKep= 1.90D-03 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 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= 173 173 173 173 173 MxSgAt= 35 MxSgA2= 35. 1 Closed 1 0 1 -544.556133029585 -544.656855972559 -0.100722942974 -544.888545291168 -0.231689318608 -544.889215294144 -0.000670002976 -544.890528102900 -0.001312808756 -544.890718024381 -0.000189921481 -544.890726399957 -0.000008375576 -544.890920118368 -0.000193718411 -544.890920340834 -0.000000222466 -544.890920427289 -0.000000086455 -544.890920489939 -0.000000062650 -544.890920491758 -0.000000001819 -544.890920491989 -0.000000000231 -544.890920491995 -0.000000000006 -544.890920491993 0.000000000002 -544.890920492 15 5.428769876714e+02 -3.020314489783e+03 1.055683605157e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=118700105. IVT= 112580 IEndB= 112580 NGot= 2818572288 MDV= 2702551784 LenX= 2702551784 LenY= 2702521067 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= 15225 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -8.49799981e-01 -3.01059092e-01 2.94740307e-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 8 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 0.059225325 0.020644318 -0.021491564 -0.019256022 0.005082590 0.014581229 -0.021595133 -0.016829740 -0.004904165 -0.004476626 0.002693435 0.009255629 -0.001555334 -0.010899955 0.000162904 -0.005127654 0.012265734 -0.001357354 0.000005422 -0.002105106 0.003122835 -0.000523626 -0.001938789 0.001591126 0.001885191 -0.003024799 -0.002719899 -0.006091732 0.003736841 0.001155072 -0.003583014 -0.000368453 0.003201785 -0.002323821 -0.002550616 -0.004057026 -0.000585913 -0.001325823 0.000660325 -0.003001448 -0.009914859 -0.012284896 0.000962419 0.006166491 0.013718232 -0.001224335 0.006309487 -0.004796490 0.006698295 -0.000530355 0.002146609 0.007689325 -0.001217304 -0.000992912 -0.001454685 0.002452034 -0.006276849 -0.000457961 0.004376142 0.006000284 -0.000069425 -0.007429891 0.003749834 0.004633331 -0.001720314 0.006701473 0.000989425 -0.006844276 -0.003066897 0.001778697 0.006959302 -0.004017295 -0.006669897 0.002009214 0.003763432 -0.001989865 0.008242746 0.002923508 -0.003818200 -0.004757257 0.005222320 0.009026591 -0.005068738 -0.004046545 -0.004884560 0.000939188 -0.005989732 0.000736329 -0.007043085 -0.003388407 0.004535673 0.005509663 -0.005297341 -0.006945131 0.001372923 0.002213296 0.005951417 0.001174647 0.006865765 -0.003790003 -0.005933313 0.004458208 -0.004693057 -0.000432082 -0.006806494 0.059225325 0.008824004 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -544.904830094761 -544.904850634449 -0.000020539689 -544.904849664252 0.000000970197 -544.904850896456 -0.000001232203 -544.904850908762 -0.000000012307 -544.904850912015 -0.000000003252 -544.904850912118 -0.000000000103 -544.904850912131 -0.000000000013 -544.904850912 8 5.419328757912e+02 -2.991355946939e+03 1.041794509631e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=118700105. IVT= 112580 IEndB= 112580 NGot= 2818572288 MDV= 2702551784 LenX= 2702551784 LenY= 2702521067 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= 15225 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 O O O O O O O O O O O O O O O O O O O O O O O O O O O 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 -18.755619 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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 H 1S 2S 15 H 1S 2S 16 H 1S 2S 17 H 1S 2S 18 H 1S 2S 19 H 1S 2S 20 H 1S 2S 21 H 1S 2S 22 H 1S 2S 23 H 1S 2S 24 H 1S 2S 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 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 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 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 H 1S|2S|15 H 1S|2S|16 H 1S|2S|17 H 1S|2S|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|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 1.13273 0.85892 0.97498 0.97565 0.95756 1.11780 1.22980 0.29516 0.36084 0.40951 1.17446 0.81399 0.76453 0.52769 0.72772 0.89926 0.92250 0.04380 0.04167 0.15137 1.17446 0.81402 0.76142 0.54192 0.80811 0.84846 0.89349 0.10370 0.01337 0.13127 1.17429 0.81420 0.72734 0.63182 0.88630 0.88026 0.90052 0.10653 0.15358 0.15923 1.17428 0.81422 0.72624 0.63300 0.91635 0.85304 0.90031 0.19778 0.05770 0.16131 1.17431 0.81425 0.72258 0.63876 0.84427 0.92183 0.88123 0.05426 0.16588 0.15645 1.17431 0.81424 0.72225 0.64258 0.86357 0.88752 0.89684 0.08089 0.16857 0.14968 1.17432 0.81425 0.72395 0.63439 0.88378 0.87762 0.88581 0.11539 0.14585 0.13090 1.17429 0.81424 0.72232 0.63068 0.85991 0.91774 0.87867 0.05494 0.17064 0.14295 1.17430 0.81421 0.72313 0.62930 0.91354 0.86038 0.88043 0.18186 0.05079 0.15617 1.17430 0.81425 0.72330 0.62486 0.86325 0.91077 0.87841 0.06666 0.19029 0.14450 1.17430 0.81425 0.72315 0.62797 0.90983 0.85471 0.88754 0.17678 0.05777 0.16864 1.17432 0.81423 0.72275 0.63968 0.86816 0.86849 0.90856 0.12166 0.10176 0.16977 0.51966 0.26249 0.51654 0.26377 0.51141 0.28320 0.51108 0.28060 0.51044 0.27160 0.51363 0.27910 0.51452 0.28486 0.51443 0.29051 0.51418 0.28806 0.51336 0.28864 0.51373 0.29415 0.51401 0.29646 0.51775 0.27688 0.51430 0.29137 0.51974 0.28152 0.51494 0.28082 0.51420 0.28878 0.51717 0.28790 0.51498 0.28494 0.51702 0.28932 0.51394 0.29348 0.51400 0.29207 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 O 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 -0.312952 -0.066997 -0.090198 -0.434073 -0.434228 -0.373814 -0.400450 -0.386273 -0.366403 -0.384122 -0.390596 -0.394954 -0.389390 0.217847 0.219691 0.205387 0.208317 0.217955 0.207271 0.200621 0.195057 0.197755 0.198004 0.192116 0.189536 0.205373 0.194336 0.198734 0.204237 0.197020 0.194938 0.200084 0.193654 0.192579 0.193936 0.00000 -9.61777242e-01 -3.75263056e-01 4.04919462e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.4446 -0.9538 1.0292 2.8187 -91.8388 -79.9709 -81.6271 -5.5793 4.3852 1.1570 -7.3599 4.5080 2.8519 -5.5793 4.3852 1.1570 -20.6932 6.6436 -0.4408 2.8847 -17.3870 12.9338 4.7290 2.3358 0.9969 4.6293 -1905.4956 -1646.8583 -321.7668 -59.9190 42.7957 9.1936 -7.8567 8.8826 -11.0215 -596.1154 -358.6828 -327.1244 9.5379 -0.1078 2.0496 0 -544.9048509 6.946E-9 3.287E-5 -5.4718702,3.3515816,2.1202885,-4.1480766,3.2602633,0.8602321 C01 [X(C12H22O1)] -0.9617772 -0.3752631 0.4049195 @ -0.000030477 0.000022954 -0.000031740 0.000116892 -0.000086392 0.000015162 -0.000023656 0.000104741 -0.000058593 -0.000069002 0.000091087 0.000054716 -0.000017720 -0.000165733 0.000021128 0.000005770 0.000050937 -0.000025615 0.000014389 0.000032384 -0.000010927 0.000012882 0.000001482 0.000029577 0.000027454 -0.000014409 0.000010733 -0.000031438 0.000016248 -0.000011520 -0.000051500 -0.000020508 0.000009131 -0.000042079 -0.000019301 -0.000005425 0.000016005 -0.000015350 0.000018213 -0.000045269 -0.000011662 -0.000029947 0.000022838 -0.000008205 0.000032094 0.000008754 0.000007941 -0.000031249 0.000025954 -0.000009862 -0.000012658 0.000015935 0.000014673 -0.000008356 -0.000001185 0.000019392 -0.000021526 0.000013423 -0.000006762 0.000004288 0.000008374 -0.000012932 0.000011069 0.000012844 0.000003956 0.000006169 0.000007290 -0.000017037 -0.000002895 -0.000002806 0.000003558 -0.000018005 -0.000021828 0.000005690 0.000002930 -0.000002870 0.000027799 0.000001369 -0.000004287 0.000001543 0.000012914 0.000032300 -0.000030228 -0.000016190 -0.000002468 0.000008198 0.000007987 0.000008578 -0.000011768 -0.000004557 0.000007376 0.000020291 0.000008526 -0.000007469 -0.000002128 0.000021592 0.000018381 0.000010255 0.000001516 -0.000009407 -0.000006866 0.000022368 -0.000011978 -0.000003984 -0.000002280 160.12779999999998 AuxInfo=1/0/N:12,13,10,11,8,9,6,7,4,5,2,3,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:35OCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1s2;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11s12;s2;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2107 CBGUSER 000009248 EM64L-G09RevD.01 16-Apr-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 99 C1[X(C12H22O)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 160.12779999999998 0 1 AuxInfo=1/0/N:12,13,10,11,8,9,6,7,4,5,2,3,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:35OCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1s2;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11s12;s2;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-28877.inp" -scrdir="/scratch/" chk=000009248-Freq.chk nprocshared=8 mem=21GB #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 000009248 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 16 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 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 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 (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| 0.000258 0.000079 0.029950 0.011977 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -6.342667e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 862.7236972134 174 400 174 51 51 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 35 35 35 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 0 160.12779999999998 AuxInfo=1/0/N:12,13,10,11,8,9,6,7,4,5,2,3,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:35OCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1s2;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11s12;s2;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.519790 0.000000 1.517621 1.502958 0.000000 2.569112 1.520298 2.656691 0.000000 2.570103 2.662060 1.521204 4.025190 0.000000 3.942049 2.612254 3.539939 1.556483 4.701772 0.000000 3.951437 3.696477 2.571149 4.810880 1.553367 5.045045 0.000000 4.821876 3.341201 4.469450 2.646183 5.345536 1.554300 5.633109 0.000000 4.547022 3.752585 3.120051 4.570165 2.615829 4.333542 1.549358 4.675527 0.000000 4.947936 3.454706 4.371987 3.437592 4.809908 2.633549 4.930465 1.552169 3.841251 0.000000 5.000024 4.025179 3.840490 4.917698 3.223506 4.615260 2.601823 4.449359 1.546977 3.199248 0.000000 5.692126 4.257282 4.732362 4.322557 4.937461 3.278986 4.560962 2.599201 3.153146 1.550724 2.614724 0.000000 5.989368 4.742710 4.898621 5.248907 4.612114 4.514138 3.991641 3.964061 2.599896 2.606422 1.553214 1.552350 0.000000 2.175135 1.098861 2.218768 2.242262 2.838295 3.041880 3.870573 3.244276 3.802169 2.998117 3.641205 3.983875 4.320745 0.000000 2.186863 2.229094 1.102209 2.843059 2.231005 3.566424 2.806861 4.767194 3.320320 4.876034 4.376394 5.042082 5.330752 3.148145 0.000000 2.974425 2.150417 3.496674 1.108894 4.806458 2.187012 5.747289 2.837033 5.523053 3.775409 5.668401 4.934036 5.915966 2.547960 3.815116 0.000000 2.620265 2.128276 2.758891 1.107699 4.266104 2.182527 5.035089 3.561055 4.980281 4.434465 5.606641 5.129071 6.036493 3.099382 2.567684 1.774500 0.000000 2.798972 3.404275 2.142495 4.759165 1.108133 5.615475 2.177806 6.360441 3.547375 5.891545 4.215902 6.042847 5.664406 3.656326 2.654062 5.478506 4.828894 0.000000 2.796960 2.731753 2.154373 4.214127 1.106361 4.891789 2.205238 5.239571 2.934136 4.507447 2.971907 4.808789 4.361366 2.467433 3.113638 4.820892 4.687339 1.771391 0.000000 4.660799 3.506649 4.381376 2.154197 5.654730 1.108410 5.974282 2.168515 5.271330 3.528047 5.652705 4.088637 5.441820 4.041027 4.215371 2.537818 2.382597 6.502393 5.927731 0.000000 4.101815 2.827895 3.296565 2.189945 4.310474 1.108614 4.349400 2.196704 3.534023 2.792852 4.066168 2.895241 4.011641 3.340469 3.139631 3.100283 2.560520 5.250036 4.660189 1.767441 0.000000 4.254289 4.168360 2.846330 5.103309 2.177715 5.335262 1.109599 6.154473 2.176876 5.653389 3.535619 5.192155 4.773754 4.585495 2.656580 6.115685 5.096420 2.466761 3.102628 6.130601 4.534167 0.000000 4.739487 4.593472 3.505216 5.815066 2.174628 6.059070 1.108709 6.503649 2.185731 5.618485 2.830295 5.181448 4.306702 4.596975 3.837882 6.694064 6.089160 2.484923 2.505798 7.024262 5.382508 1.775001 0.000000 4.895192 3.527981 4.878698 2.771510 5.813586 2.177377 6.336478 1.109683 5.528411 2.188071 5.184929 3.534602 4.781603 3.305569 5.290040 2.510719 3.739942 6.764110 5.586759 2.599103 3.092838 6.910711 7.180327 0.000000 5.851975 4.382096 5.412345 3.539786 6.279405 2.176678 6.387347 1.109803 5.269316 2.169757 5.062723 2.766051 4.286880 4.342751 5.576645 3.720013 4.302257 7.313570 6.228748 2.348356 2.629362 6.838819 7.256548 1.773198 0.000000 4.158577 3.188997 2.750622 3.709612 2.834120 3.335198 2.172085 3.864458 1.107077 3.338520 2.184940 2.753003 2.796637 3.440945 2.771947 4.718056 4.074600 3.823517 3.271533 4.213095 2.459598 2.521406 3.090203 4.772836 4.425272 0.000000 5.561019 4.790806 4.083023 5.471219 3.549542 5.048273 2.180055 5.382153 1.109446 4.553449 2.174106 3.534761 2.861201 4.891828 4.082455 6.465807 5.798313 4.344688 3.946640 5.882183 4.115900 2.440335 2.544062 6.328912 5.804394 1.771797 0.000000 4.112797 2.710090 3.606213 3.130354 3.922010 2.837120 4.256730 2.182775 3.430489 1.104543 2.738469 2.185738 2.699296 2.050906 4.298521 3.488829 4.153871 4.972728 3.495727 3.884456 2.991956 5.079065 4.900962 2.580106 3.083268 3.078943 4.330325 0.000000 5.759736 4.313158 5.324358 4.305390 5.659446 3.557641 5.815113 2.182910 4.720964 1.108948 3.799152 2.178238 2.999007 3.669729 5.916344 4.424574 5.355893 6.722107 5.193119 4.337293 3.850799 6.620230 6.387096 2.424147 2.556912 4.356056 5.391920 1.765661 0.000000 5.724033 4.926146 4.584380 5.947129 3.644730 5.720137 2.870594 5.517423 2.175902 4.186330 1.109363 3.550325 2.180498 4.479176 5.146092 6.677055 6.611311 4.467620 3.302181 6.760305 5.156398 3.821768 2.652513 6.209786 6.111255 3.092100 2.485941 3.693492 4.630228 0.000000 4.302853 3.356109 3.397182 4.404655 2.838247 4.361968 2.795094 4.139923 2.185035 2.902962 1.107476 2.898485 2.186377 2.762072 4.164391 5.018172 5.189415 3.839800 2.285319 5.458945 4.051884 3.836058 3.079135 4.679029 4.934044 2.588532 3.090821 2.119229 3.440898 1.767593 0.000000 6.725755 5.255953 5.803370 5.129973 6.042506 3.892591 5.595936 2.990149 4.125993 2.179440 3.549843 1.108824 2.181441 4.974852 6.053394 5.649808 5.926333 7.146446 5.903563 4.500815 3.580884 6.178811 6.174787 3.875218 2.747781 3.732652 4.318086 3.070396 2.399109 4.350874 3.904775 0.000000 5.434229 4.058160 4.341336 3.984117 4.698699 2.847851 4.209076 2.692108 2.806980 2.188816 2.858849 1.107006 2.179554 4.076328 4.420778 4.768916 4.599541 5.771661 4.821778 3.565349 2.154160 4.630022 4.973781 3.769179 2.809536 2.128232 3.084477 2.698689 3.072283 3.856692 3.273494 1.765104 0.000000 6.826451 5.624444 5.601982 6.067833 5.242207 5.210389 4.325506 4.759035 2.865045 3.541489 2.181051 2.178247 1.109662 5.318271 5.882597 6.815787 6.754936 6.243803 5.130016 6.041551 4.546506 4.956685 4.546751 5.668851 4.902240 3.154278 2.679479 3.761016 3.922478 2.491862 3.093468 2.453402 2.510710 0.000000 6.543860 5.301994 5.612623 5.856386 5.244585 5.178539 4.777661 4.354842 3.538075 2.847577 2.180155 2.184442 1.109619 4.676985 6.183042 6.371110 6.749771 6.268599 4.779119 6.116420 4.855641 5.667031 4.945163 4.996025 4.668693 3.817924 3.844249 2.925580 2.825073 2.478443 2.495789 2.525271 3.093069 1.776658 0.000000 C12H22O 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 0 160.12779999999998 AuxInfo=1/0/N:12,13,10,11,8,9,6,7,4,5,2,3,1/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:35OCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1s2;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11s12;s2;s3;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7966514 0.7084766 0.4207570 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= 7503 NPrTT= 36924 LenC2= 7181 LenP2D= 24302. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 174 RedAO= T EigKep= 1.90D-03 NBF= 174 NBsUse= 174 1.00D-06 EigRej= -1.00D+00 NBFU= 174 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= 173 173 173 173 173 MxSgAt= 35 MxSgA2= 35. 1 Closed 1 0 1 -544.600212439990 -544.689800848699 -0.089588408709 -544.899777581377 -0.209976732678 -544.896715911317 0.003061670060 -544.904269296109 -0.007553384792 -544.904664514079 -0.000395217970 -544.904673035301 -0.000008521222 -544.904875813744 -0.000202778443 -544.904875956738 -0.000000142994 -544.904876130292 -0.000000173553 -544.904876172929 -0.000000042638 -544.904876188045 -0.000000015116 -544.904876188291 -0.000000000246 -544.904876188313 -0.000000000023 -544.904876188323 -0.000000000010 -544.904876188 15 5.419327161076e+02 -2.991355732631e+03 1.041794443121e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=118699705. IVT= 112180 IEndB= 112180 NGot= 2818572288 MDV= 2702552184 LenX= 2702552184 LenY= 2702521467 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= 15225 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= 35. Will process 36 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111 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= 2818571760 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=118597591. 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= 15225 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 108 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 105 vectors produced by pass 0 Test12= 6.27D-15 1.00D-09 XBig12= 1.18D+02 3.18D+00. AX will form 105 AO Fock derivatives at one time. 105 vectors produced by pass 1 Test12= 6.27D-15 1.00D-09 XBig12= 2.84D+01 1.15D+00. 105 vectors produced by pass 2 Test12= 6.27D-15 1.00D-09 XBig12= 8.05D-02 4.72D-02. 105 vectors produced by pass 3 Test12= 6.27D-15 1.00D-09 XBig12= 1.87D-05 4.24D-04. 43 vectors produced by pass 4 Test12= 6.27D-15 1.00D-09 XBig12= 6.40D-10 1.89D-06. 3 vectors produced by pass 5 Test12= 6.27D-15 1.00D-09 XBig12= 1.97D-14 9.31D-09. InvSVY: IOpt=1 It= 1 EMax= 1.95D-14 Solved reduced A of dimension 466 with 108 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 126.83 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 136.330 -3.881 138.131 -1.571 1.247 106.020 209.217 -2.851 206.200 0.802 7.593 190.286 (Enter /mnt/data/applications/G09/g09/l716.exe) PT1532.900S 2017-04-16T20:38:15.000+02:00 -18.75562 -9.94407 -9.94330 -9.89623 -9.89541 -9.89517 -9.89509 -9.89127 -9.88919 -9.88859 -9.88792 -9.88724 -9.88676 -0.94377 -0.73657 -0.72390 -0.70191 -0.67241 -0.64169 -0.60687 -0.58803 -0.55235 -0.53649 -0.51318 -0.50310 -0.48632 -0.43009 -0.42382 -0.41423 -0.40404 -0.39288 -0.38533 -0.37743 -0.36858 -0.35614 -0.34520 -0.33542 -0.33241 -0.32427 -0.31514 -0.30759 -0.29647 -0.29181 -0.28390 -0.28171 -0.27278 -0.26596 -0.26228 -0.26053 -0.24516 -0.20021 0.03915 0.05000 0.06688 0.08328 0.08592 0.09381 0.10303 0.10761 0.11729 0.12469 0.13076 0.13754 0.14117 0.14213 0.14593 0.15265 0.16218 0.16698 0.16940 0.17066 0.17699 0.18668 0.18937 0.19979 0.20431 0.20821 0.21658 0.22104 0.22262 0.23194 0.24233 0.24581 0.25216 0.25951 0.27728 0.28635 0.29690 0.29851 0.31025 0.31083 0.31774 0.32521 0.33103 0.33591 0.34550 0.34861 0.35442 0.36871 0.39074 0.39853 0.40569 0.41199 0.42435 0.42971 0.43674 0.44846 0.45608 0.46218 0.47776 0.48915 0.50158 0.51337 0.52207 0.53503 0.55611 0.57275 0.57938 0.60995 0.63699 0.65431 0.69276 0.70438 0.76144 0.82186 0.83056 0.86216 0.87772 0.88370 0.90017 0.90851 0.94555 0.96060 0.97731 1.00675 1.01172 1.02283 1.03662 1.04813 1.08307 1.08834 1.10809 1.12604 1.13783 1.14652 1.15179 1.16115 1.17065 1.19771 1.22366 1.26202 1.28507 1.29967 1.31902 1.35725 1.38975 1.39488 1.43001 1.46177 1.50986 1.70824 22.42004 22.49652 22.52475 22.58074 22.58568 22.65086 22.66115 22.66658 22.67186 22.68000 22.68487 22.69717 41.53944 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 O 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 -0.312964 -0.067012 -0.090074 -0.434096 -0.434346 -0.374003 -0.400428 -0.386160 -0.366477 -0.384112 -0.390599 -0.395058 -0.389376 0.217875 0.219673 0.205392 0.208323 0.217969 0.207303 0.200646 0.195110 0.197760 0.198004 0.192102 0.189534 0.205401 0.194354 0.198724 0.204232 0.197029 0.194960 0.200099 0.193689 0.192586 0.193943 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 O C C C C C C C C C C C C -0.312964 0.150863 0.129599 -0.020381 -0.009074 0.021753 -0.004664 -0.004524 0.033278 0.018843 0.001390 -0.001270 -0.002847 0.00000 9.46805177e-01 4.12218090e-01 4.04021385e-01 1.36330289e+02 -3.88101902e+00 1.38130957e+02 -1.57093819e+00 1.24725854e+00 1.06020272e+02 -16.4985 -11.9760 -0.0001 0.0004 0.0006 16.6435 42.0950 88.4137 103.0136 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 41.8873 88.3978 102.9491 141.5654 163.8683 194.4024 214.8097 230.4948 241.7288 273.0897 287.2521 296.7730 334.8892 374.8074 413.5105 425.1176 466.2701 486.0089 514.4781 691.5877 709.4356 740.6089 764.5998 773.1863 789.6339 811.9178 820.6663 851.9875 877.8584 895.0871 922.7394 962.4305 981.3444 989.3528 1006.1987 1029.1949 1047.8392 1073.2077 1080.2448 1085.0590 1094.9766 1114.3002 1121.3477 1129.8432 1150.7660 1152.0117 1177.2278 1195.1767 1221.5013 1230.4767 1243.6320 1264.0631 1275.0586 1284.0298 1293.9584 1299.0652 1306.6694 1319.9455 1330.6969 1339.5128 1340.8091 1348.8874 1350.1199 1352.8318 1357.2885 1365.2670 1437.7860 1459.8079 1461.2158 1462.2546 1463.8624 1465.8226 1467.0495 1468.4452 1475.5756 1479.8877 1486.2152 2958.5403 2959.4978 2963.0387 2970.9540 2972.3868 2977.4209 2977.6326 2981.0962 2985.2141 2989.0034 3006.1785 3011.2527 3014.8136 3021.3573 3023.9863 3033.0368 3036.8520 3039.2824 3044.6767 3053.6222 3057.1274 3087.7363 3.0814 2.9262 3.1169 3.4591 2.7701 2.5575 2.5703 1.8075 2.5644 2.0693 2.2851 2.3281 2.0224 2.7010 2.4971 2.6539 3.0703 2.2891 2.3039 1.2344 2.3849 1.6048 2.8422 1.8849 2.0067 1.8483 2.0766 2.0070 2.3030 1.9180 2.0619 1.8485 1.8175 1.9596 1.5474 1.7156 1.6805 1.4243 1.2737 2.1830 2.3029 1.9835 2.4394 2.3940 1.5385 1.3159 1.3595 1.3928 1.2998 1.3724 1.2317 1.2511 1.3307 1.1995 1.1730 1.2362 1.2194 1.2206 1.3279 1.3494 1.3732 1.3915 1.4117 1.3724 1.4656 1.4688 2.6397 1.0901 1.0889 1.0873 1.0958 1.0915 1.0929 1.0862 1.0896 1.0903 1.0926 1.0599 1.0605 1.0609 1.0610 1.0621 1.0626 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