Gaussian 09 GINC-KIMIK2030 CBGUSER 000126215 EM64L-G09RevD.01 1-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 256.16879999999986 0 1 AuxInfo=1/0/N:15,13,11,9,7,5,6,8,10,12,14,18,19,16,17,20,1,2,3,4/CRV:12.3,13.3,14.3,15.3,16.3,17.1,18.1,20.1/rA:46O1O1OO1CCCCCCCCCCCC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s8;s9;s10;s11;s12;s13;s1s14;s2s16;s17;s18;s3s4s19;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s18;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-26667.inp" -scrdir="/scratch/" chk=000126215.chk nprocshared=4 mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000126215 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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 1 2 3 3 4 5 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 13 14 14 14 15 15 15 16 17 18 18 19 19 16 17 20 46 20 6 7 21 22 8 23 24 9 25 26 10 27 28 11 29 30 12 31 32 13 33 34 14 35 36 15 37 38 16 39 40 41 42 43 17 18 19 44 20 45 1.2217 1.2198 1.3533 0.9809 1.2192 1.5321 1.5324 1.0973 1.0973 1.5308 1.0967 1.0969 1.5326 1.0973 1.0974 1.5324 1.0968 1.097 1.5307 1.0967 1.0968 1.5328 1.0968 1.0971 1.531 1.097 1.0969 1.5288 1.0971 1.0972 1.5207 1.0965 1.0966 1.5114 1.096 1.0947 1.0945 1.0944 1.0946 1.4988 1.4791 1.3374 1.0839 1.4756 1.0847 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 20 6 6 6 7 7 21 5 5 5 8 8 23 5 5 5 9 9 25 6 6 6 10 10 27 7 7 7 11 11 29 8 8 8 12 12 31 9 9 9 13 13 33 10 10 10 14 14 35 11 11 11 15 15 37 12 12 12 16 16 39 13 13 13 41 41 42 1 1 14 2 2 16 17 17 19 18 18 20 3 3 4 3 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 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 46 7 21 22 21 22 22 8 23 24 23 24 24 9 25 26 25 26 26 10 27 28 27 28 28 11 29 30 29 30 30 12 31 32 31 32 32 13 33 34 33 34 34 14 35 36 35 36 36 15 37 38 37 38 38 16 39 40 39 40 40 41 42 43 42 43 43 14 17 17 16 18 18 19 44 44 20 45 45 4 19 19 112.0018 115.6569 108.8537 108.6262 108.6331 108.3365 106.3421 113.2099 109.0463 109.0383 109.3613 109.1836 106.8004 115.897 108.6084 108.3033 108.5631 108.7593 106.2966 113.1841 109.3666 109.0075 109.1218 109.1556 106.8062 113.3601 109.1524 108.8359 109.1156 109.3923 106.7738 113.1677 109.29 108.9535 109.3793 109.0163 106.8366 113.2567 109.311 109.0495 108.9441 109.3049 106.7697 112.2355 109.4493 109.4808 109.6655 109.3269 106.5179 113.6486 109.3066 109.2685 108.9316 108.6439 106.8159 113.0136 109.6585 108.9559 107.8131 108.8443 108.4551 110.8823 110.358 110.8499 108.1729 108.2887 108.1924 126.3868 117.2534 116.2949 117.9456 125.9952 116.034 119.4046 118.2085 122.383 119.2105 122.4815 118.3073 124.8757 108.7112 126.4131 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 46 46 7 7 7 21 21 21 22 22 22 6 6 6 21 21 21 22 22 22 5 5 5 23 23 23 24 24 24 5 5 5 25 25 25 26 26 26 6 6 6 27 27 27 28 28 28 7 7 7 29 29 29 30 30 30 8 8 8 31 31 31 32 32 32 9 9 9 33 33 33 34 34 34 10 10 10 35 35 35 36 36 36 11 11 11 37 37 37 38 38 38 12 12 39 39 40 40 1 1 14 14 2 2 16 16 17 17 44 44 18 18 45 45 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 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 14 14 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 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 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 4 19 8 23 24 8 23 24 8 23 24 9 25 26 9 25 26 9 25 26 10 27 28 10 27 28 10 27 28 11 29 30 11 29 30 11 29 30 12 31 32 12 31 32 12 31 32 13 33 34 13 33 34 13 33 34 14 35 36 14 35 36 14 35 36 15 37 38 15 37 38 15 37 38 16 39 40 16 39 40 16 39 40 41 42 43 41 42 43 41 42 43 1 17 1 17 1 17 2 18 2 18 19 44 19 44 20 45 20 45 3 4 3 4 0.0389 179.9707 -177.982 60.0365 -56.2335 59.4314 -62.5501 -178.8202 -55.9632 -177.9447 65.7852 177.6615 55.1901 -59.8493 -59.635 177.8937 62.8542 55.4884 -66.9829 177.9776 -179.7597 -57.8713 58.5669 -57.9545 63.9339 -179.6279 58.5734 -179.5383 -63.1 176.8262 54.9814 -61.2032 -60.6785 177.4767 61.2921 54.5781 -67.2667 176.5487 -176.7326 61.1151 -55.2864 61.242 -60.9103 -177.3118 -55.1424 -177.2947 66.3038 176.2943 54.6246 -61.7626 -61.8404 176.49 60.1028 54.6345 -67.0351 176.5777 176.9921 -61.0073 55.3997 -60.9056 61.095 177.5021 55.5812 177.5818 -66.0111 177.0661 -61.0168 55.5469 -61.0588 60.8583 177.422 55.2657 177.1829 -66.2534 179.6998 -59.9905 58.5728 57.8225 178.1322 -63.3046 -58.6198 61.6899 -179.7469 -60.2214 179.9362 60.0904 177.6536 57.8112 -62.0347 61.6452 -58.1972 -178.043 3.117 -179.9099 -118.2413 58.7318 124.3073 -58.7196 60.0016 -118.2811 -117.2577 64.4597 1.8719 -177.4227 179.9968 0.7022 -179.967 0.3463 -0.7031 179.6102 -179.927 0.0034 -0.2271 179.7033 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 251 276 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 14878 NPrTT= 74418 LenC2= 10074 LenP2D= 31141. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 1.17D-03 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 Using GEDIIS/GDIIS optimizer. local minimum Step number 23 out of a maximum of 251 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00076 0.00171 0.00185 0.00281 0.00334 0.00339 0.00343 0.00348 0.00357 0.00380 0.00450 0.00491 0.00954 0.01078 0.02037 0.02122 0.02315 0.02898 0.03028 0.03434 0.03440 0.03446 0.03449 0.03458 0.03471 0.03502 0.03540 0.03716 0.03889 0.03969 0.04756 0.04795 0.04799 0.04801 0.04805 0.04806 0.04812 0.04824 0.04865 0.04991 0.05538 0.05615 0.06215 0.08304 0.08375 0.08419 0.08438 0.08446 0.08449 0.08450 0.08458 0.08464 0.09664 0.12173 0.12237 0.12265 0.12276 0.12289 0.12291 0.12294 0.12305 0.12308 0.13192 0.14690 0.15967 0.15997 0.16005 0.16010 0.16171 0.21235 0.21681 0.21824 0.21900 0.21909 0.21913 0.21918 0.21943 0.22063 0.22120 0.22298 0.22694 0.23712 0.24443 0.25414 0.26195 0.26414 0.27925 0.29117 0.29190 0.29203 0.29226 0.29263 0.29332 0.29358 0.29466 0.29672 0.30443 0.31577 0.32492 0.33472 0.33829 0.33971 0.33983 0.33993 0.34000 0.34010 0.34015 0.34022 0.34031 0.34033 0.34035 0.34039 0.34043 0.34053 0.34056 0.34062 0.34071 0.34092 0.34249 0.34294 0.34301 0.34467 0.35002 0.35372 0.35539 0.36212 0.49081 0.51366 0.58647 0.87312 0.93524 0.95933 RFO step: Lambda=-3.01545296D-09. 1 2 0.00080499 0.00000044 0.00000026 0.00000002 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 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 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 2.38184 2.39245 2.64931 1.88157 2.36876 2.92038 2.92034 2.09791 2.09810 2.91997 2.09819 2.09801 2.92066 2.09801 2.09822 2.92000 2.09758 2.09768 2.92045 2.09806 2.09828 2.91876 2.09820 2.09822 2.92150 2.09812 2.09833 2.90752 2.09284 2.09229 2.91811 2.09633 2.09615 2.86128 2.09981 2.09759 2.09107 2.08945 2.09095 2.93836 2.81169 2.57726 2.07120 2.80579 2.07120 1.91117 1.97806 1.90692 1.90720 1.90711 1.90655 1.85390 1.97752 1.90627 1.90681 1.90774 1.90729 1.85415 1.97857 1.90689 1.90710 1.90679 1.90649 1.85384 1.97725 1.90754 1.90692 1.90681 1.90732 1.85395 1.97855 1.90694 1.90695 1.90695 1.90649 1.85383 1.97054 1.90539 1.90602 1.91277 1.91108 1.85442 1.97861 1.90806 1.90817 1.90556 1.90556 1.85372 1.96029 1.91681 1.91741 1.90888 1.91017 1.84683 1.97202 1.90480 1.90507 1.91173 1.91220 1.85429 1.99126 1.94224 1.94814 1.87824 1.88445 1.80902 1.93681 1.94737 1.93638 1.88134 1.87769 1.88146 2.17101 2.07802 2.03416 2.09300 2.16202 2.02816 2.11493 2.05147 2.11679 2.11723 2.11276 2.05320 2.14159 1.92573 2.21586 -0.00052 3.14140 -3.13147 1.02066 -1.00061 1.02063 -1.11042 -3.13169 -1.00092 -3.13197 1.12995 -3.13418 1.01800 -1.00342 -1.00321 -3.13422 1.12755 1.01808 -1.11292 -3.13433 -3.12892 -0.99833 1.02346 -0.99869 1.13190 -3.12949 1.02367 -3.12893 -1.10713 -3.13580 1.01617 -1.00516 -1.00474 -3.13595 1.12590 1.01628 -1.11494 -3.13627 -3.12593 1.02515 -0.99552 1.02627 -1.10585 -3.12651 -0.99535 -3.12746 1.13506 -3.13904 1.01384 -1.00867 -1.00783 -3.13814 1.12254 1.01325 -1.11706 -3.13957 -3.12362 -0.99528 1.02916 -0.99565 1.13268 -3.12606 1.03200 -3.12284 -1.09841 -3.13956 -1.00819 1.01147 -1.00787 1.12350 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-0.00020 -0.00021 -0.00025 -0.00021 -0.00021 -0.00024 -0.00021 -0.00033 -0.00032 -0.00033 -0.00032 -0.00031 -0.00032 -0.00031 -0.00030 -0.00031 -0.00025 -0.00038 -0.00033 -0.00023 -0.00036 -0.00031 -0.00024 -0.00038 -0.00032 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00004 -0.00005 -0.00005 -0.00005 0.00057 0.00054 0.00070 0.00068 0.00064 0.00062 0.00046 0.00042 0.00048 0.00044 0.00000 0.00005 0.00004 0.00009 0.00004 0.00008 -0.00001 0.00002 0.00035 0.00037 0.00031 0.00033 2.38184 2.39245 2.64936 1.88157 2.36874 2.92038 2.92034 2.09790 2.09809 2.91997 2.09819 2.09801 2.92066 2.09801 2.09822 2.92001 2.09757 2.09768 2.92046 2.09806 2.09828 2.91876 2.09820 2.09822 2.92149 2.09812 2.09833 2.90754 2.09284 2.09229 2.91810 2.09632 2.09615 2.86127 2.09983 2.09756 2.09106 2.08944 2.09094 2.93838 2.81167 2.57727 2.07119 2.80578 2.07119 1.91117 1.97805 1.90691 1.90721 1.90710 1.90656 1.85390 1.97754 1.90626 1.90682 1.90772 1.90729 1.85415 1.97859 1.90689 1.90709 1.90679 1.90648 1.85385 1.97724 1.90753 1.90693 1.90681 1.90733 1.85395 1.97854 1.90693 1.90696 1.90693 1.90650 1.85383 1.97055 1.90538 1.90602 1.91275 1.91109 1.85443 1.97861 1.90807 1.90816 1.90557 1.90556 1.85372 1.96028 1.91681 1.91741 1.90886 1.91017 1.84685 1.97203 1.90480 1.90506 1.91174 1.91220 1.85429 1.99126 1.94217 1.94817 1.87818 1.88449 1.80908 1.93681 1.94737 1.93639 1.88134 1.87769 1.88145 2.17103 2.07798 2.03417 2.09301 2.16203 2.02815 2.11494 2.05148 2.11677 2.11723 2.11277 2.05319 2.14157 1.92572 2.21590 -0.00056 3.14138 -3.13180 1.02035 -1.00092 1.02033 -1.11070 -3.13198 -1.00122 -3.13225 1.12966 -3.13437 1.01780 -1.00362 -1.00342 -3.13444 1.12733 1.01788 -1.11314 -3.13456 -3.12918 -0.99861 1.02319 -0.99896 1.13162 -3.12977 1.02339 -3.12922 -1.10742 -3.13620 1.01579 -1.00554 -1.00513 -3.13632 1.12553 1.01589 -1.11530 -3.13664 -3.12623 1.02487 -0.99579 1.02598 -1.10611 -3.12678 -0.99564 -3.12773 1.13479 -3.13927 1.01361 -1.00891 -1.00808 -3.13839 1.12228 1.01300 -1.11731 -3.13982 -3.12381 -0.99551 1.02896 -0.99586 1.13244 -3.12628 1.03180 -3.12309 -1.09862 -3.13989 -1.00851 1.01114 -1.00819 1.12319 -3.14034 1.01148 -3.14032 -1.12067 -3.11331 -0.98414 1.02766 1.03705 -3.11696 -1.10517 -0.97879 1.15038 -3.12101 -1.04619 3.13858 1.04031 3.10951 1.01109 -1.08718 1.08196 -1.01645 -3.11473 0.04137 -3.10018 -2.12262 1.01902 2.21794 -0.92361 -3.10553 0.03406 0.03602 -3.10757 0.00367 -3.13787 -3.13583 0.00582 -3.13870 0.00288 0.00283 -3.13877 -3.13744 0.00452 0.00417 -3.13706 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000020 0.000003 0.004223 0.000805 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.032714e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 2 3 3 4 5 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 13 14 14 14 15 15 15 16 17 18 18 19 19 16 17 20 46 20 6 7 21 22 8 23 24 9 25 26 10 27 28 11 29 30 12 31 32 13 33 34 14 35 36 15 37 38 16 39 40 41 42 43 17 18 19 44 20 45 1.2604 1.266 1.402 0.9957 1.2535 1.5454 1.5454 1.1102 1.1103 1.5452 1.1103 1.1102 1.5455 1.1102 1.1103 1.5452 1.11 1.11 1.5454 1.1102 1.1104 1.5445 1.1103 1.1103 1.546 1.1103 1.1104 1.5386 1.1075 1.1072 1.5442 1.1093 1.1092 1.5141 1.1112 1.11 1.1065 1.1057 1.1065 1.5549 1.4879 1.3638 1.096 1.4848 1.096 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 20 6 6 6 7 7 21 5 5 5 8 8 23 5 5 5 9 9 25 6 6 6 10 10 27 7 7 7 11 11 29 8 8 8 12 12 31 9 9 9 13 13 33 10 10 10 14 14 35 11 11 11 15 15 37 12 12 12 16 16 39 13 13 13 41 41 42 1 1 14 2 2 16 17 17 19 18 18 20 3 3 4 3 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 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 46 7 21 22 21 22 22 8 23 24 23 24 24 9 25 26 25 26 26 10 27 28 27 28 28 11 29 30 29 30 30 12 31 32 31 32 32 13 33 34 33 34 34 14 35 36 35 36 36 15 37 38 37 38 38 16 39 40 39 40 40 41 42 43 42 43 43 14 17 17 16 18 18 19 44 44 20 45 45 4 19 19 109.5022 113.3343 109.2582 109.2744 109.2696 109.237 106.2209 113.3037 109.2213 109.2522 109.3055 109.2795 106.2351 113.3639 109.257 109.2689 109.2511 109.2339 106.2174 113.2881 109.2937 109.2586 109.2519 109.2815 106.2235 113.3624 109.2594 109.2603 109.26 109.2337 106.2165 112.9036 109.1705 109.207 109.5934 109.4966 106.2506 113.3662 109.3238 109.3298 109.1808 109.1805 106.2103 112.3164 109.8253 109.8593 109.3707 109.4446 105.8153 112.9886 109.1372 109.1522 109.5341 109.5607 106.243 114.0908 111.2821 111.6201 107.6154 107.9708 103.649 110.9711 111.5759 110.9466 107.7927 107.5839 107.7996 124.3899 119.0615 116.5486 119.9201 123.8746 116.2052 121.1765 117.5405 121.283 121.3084 121.052 117.6396 122.704 110.3363 126.9597 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 46 46 7 7 7 21 21 21 22 22 22 6 6 6 21 21 21 22 22 22 5 5 5 23 23 23 24 24 24 5 5 5 25 25 25 26 26 26 6 6 6 27 27 27 28 28 28 7 7 7 29 29 29 30 30 30 8 8 8 31 31 31 32 32 32 9 9 9 33 33 33 34 34 34 10 10 10 35 35 35 36 36 36 11 11 11 37 37 37 38 38 38 12 12 39 39 40 40 1 1 14 14 2 2 16 16 17 17 44 44 18 18 45 3 3 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 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 14 14 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 20 20 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 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 4 19 8 23 24 8 23 24 8 23 24 9 25 26 9 25 26 9 25 26 10 27 28 10 27 28 10 27 28 11 29 30 11 29 30 11 29 30 12 31 32 12 31 32 12 31 32 13 33 34 13 33 34 13 33 34 14 35 36 14 35 36 14 35 36 15 37 38 15 37 38 15 37 38 16 39 40 16 39 40 16 39 40 41 42 43 41 42 43 41 42 43 1 17 1 17 1 17 2 18 2 18 19 44 19 44 20 45 20 45 3 4 3 -0.0298 179.9891 -179.42 58.4797 -57.3307 58.4781 -63.6222 -179.4326 -57.3482 -179.4485 64.7411 -179.5755 58.327 -57.4915 -57.4799 -179.5774 64.6041 58.3319 -63.7657 -179.5841 -179.2739 -57.2003 58.6402 -57.2206 64.853 -179.3065 58.652 -179.2744 -63.4339 -179.6679 58.2224 -57.5914 -57.5671 -179.6768 64.5094 58.2285 -63.8811 -179.695 -179.1024 58.7366 -57.039 58.8007 -63.3603 -179.1359 -57.0292 -179.1902 65.0341 -179.854 58.0886 -57.7927 -57.7447 -179.8021 64.3167 58.0547 -64.0027 -179.884 -178.9701 -57.0253 58.9665 -57.0468 64.898 -179.1102 59.1294 -178.9258 -62.934 -179.8837 -57.765 57.9527 -57.7466 64.372 -179.9102 57.9718 -179.9095 -64.1918 -178.3655 -56.3649 58.8992 59.4315 -178.5679 -63.3039 -56.0668 65.9338 -178.8021 -59.9401 179.8297 59.6074 178.164 57.9338 -62.2884 61.9942 -58.2359 -178.4582 2.3378 -177.6584 -121.6573 58.3466 127.0416 -52.9545 -177.9598 1.9276 2.0366 -178.076 0.2103 -179.7895 -179.6722 0.328 -179.8367 0.1606 0.1631 -179.8396 -179.7819 0.238 0.2207 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 256.16879999999986 AuxInfo=1/0/N:15,13,11,9,7,5,6,8,10,12,14,18,19,16,17,20,1,2,3,4/CRV:12.3,13.3,14.3,15.3,16.3,17.1,18.1,20.1/rA:46O1O1OO1CCCCCCCCCCCC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s8;s9;s10;s11;s12;s13;s1s14;s2s16;s17;s18;s3s4s19;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s18;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.843751 0.000000 6.838173 4.983654 0.000000 6.050877 5.113274 2.281453 0.000000 7.816954 9.728140 12.615466 11.000790 0.000000 6.756475 8.437073 11.165850 9.600770 1.532111 0.000000 9.249644 11.000810 13.669565 12.034544 1.532448 2.594019 0.000000 5.304416 7.210103 10.245254 8.734177 2.557170 1.530752 3.950392 0.000000 10.381352 12.292716 15.109992 13.445772 2.597847 3.977733 1.532600 5.153715 0.000000 4.385513 5.923987 8.775585 7.344954 3.928065 2.557009 5.150570 1.532371 6.494458 0.000000 11.763501 13.545120 16.155315 14.476579 3.953894 5.153401 2.559761 6.479298 1.530721 7.710203 0.000000 2.866005 4.714270 8.008267 6.714974 5.115083 3.927081 6.476086 2.558454 7.710003 1.532774 9.022386 0.000000 12.923282 14.824119 17.582814 15.889760 5.154407 6.493210 3.928322 7.709945 2.556921 9.032236 1.531020 10.265169 0.000000 2.442841 3.441273 6.565824 5.460018 6.433796 5.096313 7.688235 3.916065 9.015713 2.541663 10.247404 1.528788 11.559137 0.000000 14.285292 16.086916 18.660536 16.954402 6.475004 7.707676 5.113993 9.018587 3.920290 10.264447 2.554306 11.567728 1.520726 12.801073 0.000000 1.221670 2.334118 6.041905 5.216886 7.648738 6.418600 8.990775 5.093158 10.241892 3.896630 11.543282 2.535375 12.795407 1.511386 14.091569 0.000000 2.327222 1.219833 4.728271 4.335306 8.969254 7.652309 10.242841 6.429082 11.556575 5.098213 12.801489 3.906010 14.103010 2.556913 15.354527 1.498830 0.000000 3.412313 2.407603 3.544596 2.858058 9.439993 8.062924 10.642111 6.952874 12.009765 5.547342 13.188248 4.558929 14.542706 3.160391 15.735371 2.525925 1.479109 0.000000 4.577309 2.858432 2.300008 2.408255 10.684408 9.271266 11.837551 8.223107 13.236509 6.778774 14.372552 5.856128 15.754692 4.406519 16.912190 3.756804 2.432875 1.337408 0.000000 5.782130 4.331815 1.353335 1.219236 11.358432 9.930731 12.435915 8.991329 13.858286 7.547639 14.925948 6.786748 16.338573 5.396770 17.435615 4.950753 3.793066 2.427366 1.475567 0.000000 7.836113 9.956344 12.726377 10.997059 1.097264 2.153574 2.151020 2.787747 2.836785 4.211766 4.234777 5.249741 5.296935 6.634953 6.653070 7.761518 9.127123 9.533950 10.809425 11.429012 0.000000 7.734823 9.698839 12.967225 11.467546 1.097343 2.150694 2.147237 2.757247 2.801054 4.192624 4.242322 5.192319 5.255280 6.571069 6.658125 7.680451 9.044430 9.675232 10.935727 11.729625 1.756626 0.000000 7.071781 8.652583 10.895673 9.205849 2.155651 1.096721 2.841285 2.158502 4.284447 2.783205 5.284441 4.228870 6.698637 5.237013 7.801305 6.622231 7.766702 7.975778 9.143315 9.649230 2.489719 3.054580 0.000000 7.000407 8.386751 11.196513 9.783393 2.155651 1.096860 2.812663 2.156327 4.242111 2.785312 5.261472 4.195536 6.641608 5.187545 7.775755 6.563050 7.701179 8.172114 9.317539 10.025300 3.056790 2.508244 1.761049 0.000000 9.410638 10.941002 13.669267 12.155429 2.150709 2.798383 1.097274 4.215517 2.150255 5.246675 2.796337 6.622736 4.195628 7.727247 5.241066 9.073739 10.257358 10.701458 11.849583 12.486435 3.051324 2.506483 3.137049 2.570352 0.000000 9.512837 11.200335 13.484476 11.755002 2.146862 2.828666 1.097419 4.253106 2.152898 5.292647 2.752131 6.691414 4.205735 7.813070 5.201271 9.168890 10.361807 10.609924 11.772021 12.246431 2.478028 3.046045 2.634356 3.144298 1.756173 0.000000 5.317818 7.506627 10.386511 8.737766 2.783004 2.158649 4.235284 1.096828 5.280819 2.156928 6.660750 2.806784 7.809497 4.233676 9.153459 5.251786 6.641648 7.079807 8.386035 9.085601 2.563478 3.069689 2.509833 3.061430 4.744378 4.442600 0.000000 5.228654 7.199813 10.698803 9.341451 2.782901 2.154170 4.212749 1.097003 5.245609 2.157493 6.639604 2.759936 7.759328 4.172360 9.129013 5.179737 6.565790 7.299586 8.574129 9.481524 3.120062 2.530309 3.059820 2.496453 4.384840 4.757775 1.761316 0.000000 10.388040 12.473830 15.226355 13.470808 2.810159 4.263214 2.157436 5.268800 1.096711 6.676294 2.155315 7.798886 2.810442 9.165621 4.204681 10.326300 11.683849 12.097178 13.353614 13.939516 2.606761 3.082418 4.487742 4.769731 3.055132 2.522413 5.165596 5.413380 0.000000 10.345149 12.277961 15.409708 13.841150 2.851767 4.265427 2.153438 5.279468 1.096813 6.670036 2.158940 7.781400 2.758891 9.125870 4.201867 10.282953 11.626777 12.207290 13.448207 14.172216 3.208104 2.613520 4.809386 4.421410 2.474283 3.053984 5.477096 5.140493 1.760700 0.000000 4.818417 6.205507 8.409989 6.796093 4.227456 2.807334 5.306349 2.159080 6.708436 1.096817 7.826023 2.160578 9.205125 2.788537 10.362850 4.191157 5.241957 5.392426 6.579811 7.150788 4.397375 4.734738 2.585856 3.146796 5.470650 5.219261 2.486564 3.061416 6.835314 7.051164 0.000000 4.789699 5.882611 8.815812 7.575375 4.194425 2.756921 5.239292 2.154988 6.640683 1.097131 7.758119 2.156150 9.119177 2.741154 10.291140 4.160107 5.195619 5.716148 6.851087 7.671763 4.722722 4.383749 3.065389 2.533112 5.103463 5.433954 3.058186 2.518503 6.992760 6.760033 1.761757 0.000000 11.888833 13.487230 16.116882 14.533872 4.225828 5.238199 2.760577 6.635095 2.158051 7.756014 1.097019 9.118298 2.153601 10.260006 2.802510 11.597730 12.797990 13.210272 14.353533 14.930318 4.748168 4.454070 5.408414 5.115951 2.547824 3.016290 6.985851 6.757481 3.059681 2.530516 7.906121 7.648402 0.000000 11.959525 13.713746 16.009477 14.248657 4.227894 5.287299 2.811801 6.664677 2.154571 7.812047 1.096853 9.174621 2.158112 10.345830 2.763521 11.679726 12.899744 13.165245 14.325578 14.775292 4.381573 4.756580 5.189621 5.478678 3.175170 2.556039 6.773889 6.993894 2.476002 3.059789 7.773651 7.911941 1.760934 0.000000 2.816195 5.095860 8.139514 6.675756 5.272019 4.246614 6.696691 2.810129 7.840469 2.161677 9.199876 1.097090 10.387288 2.160940 11.721273 2.768794 4.183519 4.692399 6.028281 6.862320 5.175644 5.402318 4.453744 4.755827 7.012016 6.856986 2.612567 3.106016 7.775028 7.959922 2.494538 3.062313 9.421591 9.301177 0.000000 2.789057 4.754156 8.622552 7.524837 5.201341 4.185006 6.606776 2.767210 7.736739 2.162164 9.102226 1.097202 10.265055 2.156695 11.616229 2.769733 4.183083 5.120215 6.385859 7.465261 5.404413 5.044659 4.730754 4.356520 6.699715 6.991810 3.112294 2.514689 7.862845 7.652584 3.065694 2.522646 9.172167 9.381347 1.758390 0.000000 12.905645 14.807005 17.830779 16.221413 5.299594 6.672021 4.208646 7.802820 2.806801 9.158082 2.157888 10.324492 1.096523 11.643249 2.144057 12.831668 14.158476 14.703501 15.926413 16.598782 5.535557 5.173568 7.043063 6.740850 4.345724 4.727598 7.964739 7.698416 3.185186 2.560656 9.455952 9.193747 2.482518 3.061497 10.493206 10.208481 0.000000 12.923827 14.976311 17.710939 15.943913 5.261038 6.680169 4.217855 7.787611 2.763800 9.172191 2.157421 10.333830 1.096550 11.684030 2.140378 12.865623 14.214325 14.631614 15.872593 16.435132 5.176389 5.386596 6.854560 6.996635 4.727213 4.437067 7.733695 7.860037 2.569942 3.031436 9.317915 9.386111 3.058121 2.523355 10.340712 10.351543 1.760819 0.000000 3.104706 3.389125 6.676266 5.830257 6.591953 5.201258 7.744023 4.194861 9.111383 2.784149 10.277115 2.160015 11.615881 1.095970 12.814485 2.121058 2.782468 3.503481 4.570976 5.629188 6.963173 6.676835 5.406402 5.058524 7.626967 7.914027 4.752629 4.350660 9.388236 9.174544 3.145992 2.530771 10.173284 10.421303 3.066229 2.496803 11.654632 11.840664 0.000000 3.145757 3.873706 6.040101 4.673312 6.629752 5.229946 7.800695 4.206334 9.181483 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2.178466 10.382916 1.109237 11.727759 2.182180 12.936385 14.313523 15.512665 16.762187 17.979065 5.163259 5.467894 6.809984 7.038841 4.785073 4.442967 7.744044 7.958375 2.580836 3.135678 9.289108 9.459436 3.093454 2.532852 10.323858 10.493760 1.774654 0.000000 3.150419 2.804921 7.532794 7.088059 6.693267 5.275571 7.819488 4.258971 9.209025 2.804918 10.383107 2.200692 11.754089 1.111173 12.947790 2.132039 2.826517 4.204606 5.216974 6.588104 7.042802 6.834080 5.431960 5.164890 7.745606 7.923022 4.791188 4.470253 9.465566 9.314079 3.102537 2.585739 10.328283 10.462656 3.107907 2.572698 11.834691 11.953469 0.000000 3.180716 2.711968 7.513492 7.110983 6.703162 5.300698 7.843853 4.266788 9.220527 2.829262 10.406663 2.204058 11.767159 1.109995 12.970827 2.135826 2.791156 4.201932 5.196828 6.586419 6.818350 7.055631 5.177420 5.492569 7.977048 7.760600 4.451931 4.800122 9.302793 9.480569 2.596054 3.162266 10.508816 10.346305 2.558610 3.110249 11.969665 11.828806 1.746108 0.000000 14.560218 15.527815 20.417513 19.621123 6.726919 7.862547 5.318968 9.244640 4.285664 10.423905 2.844630 11.784805 2.198197 12.972433 1.106544 14.316962 15.573350 16.883483 18.055615 19.365275 6.850843 7.077211 7.787275 7.977319 5.494166 5.204133 9.336831 9.503477 4.475336 4.816184 10.368574 10.504450 3.165210 2.618429 11.865283 11.995687 3.108281 2.547425 13.054329 12.964620 0.000000 15.198629 16.478194 21.256251 20.304843 7.363172 8.673039 6.100149 9.943948 4.782187 11.249202 3.540528 12.518580 2.205180 13.806814 1.105687 15.078224 16.415299 17.661378 18.886281 20.140657 7.465440 7.467910 8.793336 8.787816 6.264568 6.268807 10.018071 10.023850 4.940000 4.939837 11.342197 11.335432 3.817902 3.820634 12.581245 12.590552 2.529668 2.531934 13.901512 13.918424 1.787377 0.000000 14.531323 15.551434 20.414845 19.588873 6.721518 7.860154 5.316012 9.237599 4.282293 10.422423 2.841631 11.776151 2.197839 12.971991 1.106481 14.306027 15.575437 16.871833 18.053010 19.350743 7.071199 6.842006 7.989060 7.776856 5.196034 5.498918 9.494203 9.324245 4.813172 4.471144 10.523796 10.356096 2.613220 3.163690 11.982936 11.849231 2.548596 3.108225 12.941413 13.090562 1.785639 1.787405 0.000000 2.446671 3.374028 4.081345 2.694111 10.261935 9.113331 11.652426 7.697519 12.834414 6.608774 14.207816 5.155265 15.410758 4.217150 16.766309 2.714501 2.218811 1.096031 2.147955 2.724795 10.276329 10.236305 9.331839 9.299006 11.795602 11.825857 7.713586 7.665478 12.847001 12.813462 6.903919 6.868143 14.325010 14.353463 5.166082 5.108438 15.390809 15.419183 4.609096 4.637557 16.929607 17.614275 16.900651 0.000000 4.856973 2.623944 2.504129 3.381773 11.741362 10.358166 12.932375 9.197351 14.300105 7.790328 15.509813 6.690908 16.866723 5.255733 18.082205 4.253142 2.720010 2.145553 1.096031 2.217130 11.881363 11.903756 10.343282 10.376313 12.947404 12.919621 9.378425 9.400818 14.414136 14.435086 7.774531 7.811854 15.523135 15.501261 6.938169 6.958944 16.979184 16.960722 5.250392 5.202117 18.117335 19.030039 18.131179 3.124039 0.000000 7.095407 6.034218 0.995683 2.414417 14.726858 13.450174 16.029896 12.145451 17.309529 10.872697 18.610962 9.571020 19.892699 8.318160 21.186491 7.009496 5.720945 4.426357 3.239845 1.972026 14.782997 14.772423 13.529610 13.527382 16.093445 16.097219 12.213670 12.199987 17.357246 17.348806 10.971031 10.970028 18.665785 18.671643 9.651768 9.634699 19.924581 19.931811 8.422558 8.412958 21.281058 22.085128 21.270973 4.677790 3.491565 0.000000 2.3292184 0.0449323 0.0442202 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= 226 227 227 227 227 MxSgAt= 46 MxSgA2= 46. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 14878 NPrTT= 74418 LenC2= 9756 LenP2D= 30255. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 1.21D-03 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 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= 213 217 218 218 219 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -924.374940760416 -924.498659862487 -0.123719102071 -924.764922323751 -0.266262461264 -921.707331962739 3.057590361012 -924.717255958310 -3.009923995571 -924.826306391320 -0.109050433010 -924.919863143329 -0.093556752010 -924.954507785301 -0.034644641972 -924.955621965737 -0.001114180436 -924.956071338654 -0.000449372917 -924.956113925443 -0.000042586789 -924.956128010216 -0.000014084773 -924.956285145708 -0.000157135491 -924.956283342760 0.000001802948 -924.956285454329 -0.000002111569 -924.956285487432 -0.000000033103 -924.956285498213 -0.000000010781 -924.956285503376 -0.000000005163 -924.956285503537 -0.000000000161 -924.956285503575 -0.000000000039 -924.956285503564 0.000000000011 -924.956285504 21 9.216921650369e+02 -4.870074976322e+03 1.667251681491e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=516428571. IVT= 212178 IEndB= 212178 NGot= 939524096 MDV= 431192538 LenX= 431192538 LenY= 431128593 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= 31878 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 2.37480040e-01 1.44440947e+00 3.65864500e-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 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.012395402 -0.042956998 -0.033741573 -0.038557767 -0.036894685 0.039672702 -0.029189413 0.000143285 0.015559837 0.023129935 0.035899372 -0.031240802 0.004014612 -0.004660673 -0.002728141 0.003617224 0.001118664 -0.000151289 -0.003615661 0.004870058 0.002852183 -0.000743305 0.001639565 0.000975451 -0.004407175 -0.001128064 -0.000496707 -0.000422202 -0.002751610 -0.000515017 -0.000037672 -0.002166664 -0.000585423 0.004102841 0.000006144 0.000482291 -0.002963442 -0.001056958 -0.001555916 0.007586983 -0.008231570 -0.010033326 0.002462047 0.000917666 0.000886322 0.005454808 0.031355237 0.021182438 0.022439939 0.033336175 -0.026789491 0.009842905 -0.013397946 0.002285649 -0.010344465 0.010986953 -0.000154433 -0.000898137 -0.034014645 0.018155281 -0.000132372 -0.000741172 -0.008608623 0.000509100 -0.008937776 0.000891852 -0.001491505 0.008516110 -0.001108965 -0.000433368 0.000692257 0.008538238 -0.000112040 0.000919350 0.008772436 -0.000339432 0.008914510 -0.001104700 0.000434161 -0.000869807 -0.008242845 0.000954393 -0.007942956 0.001297729 0.000621615 -0.001277240 -0.008577388 0.001664681 -0.008349270 0.001588558 -0.000974530 0.008340043 -0.001570658 0.000418029 0.001230892 0.008502440 -0.000685608 0.001637186 0.008353547 -0.000603917 0.008195178 -0.002124869 -0.001039959 -0.001267771 -0.006273581 0.000631544 -0.006144171 0.000562531 -0.000154266 -0.008041955 0.001948854 -0.000783385 -0.002486156 -0.008077812 -0.001858146 0.003430294 0.008959069 -0.003455841 0.009869861 0.002301649 0.000426531 0.007291171 -0.002199116 0.007515531 -0.001264773 -0.001030160 0.001066195 0.001969603 0.007371973 0.002096447 0.007046726 -0.005103442 -0.002865162 -0.004760245 0.004025816 -0.005276149 0.011016804 -0.003152571 0.042956998 0.011913023 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -924.983409655499 -924.983442679307 -0.000033023808 -924.983442790071 -0.000000110765 -924.983442743958 0.000000046113 -924.983442837084 -0.000000093126 -924.983442837737 -0.000000000653 -924.983442837904 -0.000000000167 -924.983442837953 -0.000000000049 -924.983442838 8 9.203194875932e+02 -4.809280140942e+03 1.637894935322e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=516428571. IVT= 212178 IEndB= 212178 NGot= 939524096 MDV= 431192538 LenX= 431192538 LenY= 431128593 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= 31878 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 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 -18.828748 -18.796273 -18.791786 -18.784672 -10.058221 -10.020249 -10.014812 -9.958625 -9.950014 -9.918359 -9.899106 -9.893935 -9.888730 -9.886626 -9.885258 -9.884894 -9.884003 -9.883216 -9.882778 -9.877074 -1.033171 -0.992853 -0.977899 -0.953766 -0.761567 -0.740106 -0.725570 -0.708752 -0.685491 -0.669777 -0.651798 -0.621131 -0.596744 -0.569474 -0.539577 -0.518655 -0.517198 -0.508621 -0.505712 -0.496569 -0.461411 -0.441858 -0.436806 -0.426138 -0.425459 -0.417264 -0.416997 -0.412073 -0.396477 -0.394351 -0.379411 -0.377948 -0.374284 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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 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 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 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 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 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 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 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|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 1.13258 0.85910 0.98147 0.87163 1.36024 0.96642 1.02677 0.44154 0.29461 0.24151 1.13258 0.85909 0.98244 0.86636 1.35763 0.97282 1.01950 0.44644 0.29193 0.24572 1.13238 0.85935 0.95615 0.89254 0.99271 1.23485 1.21169 0.20866 0.48083 0.44728 1.13256 0.85913 0.98039 0.85239 1.30586 1.02445 1.03656 0.45555 0.31475 0.26147 1.17431 0.81421 0.72345 0.61938 0.85891 0.90689 0.88543 0.04954 0.19596 0.15700 1.17431 0.81421 0.72327 0.62001 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AuxInfo=1/0/N:15,13,11,9,7,5,6,8,10,12,14,18,19,16,17,20,1,2,3,4/CRV:12.3,13.3,14.3,15.3,16.3,17.1,18.1,20.1/rA:46O1O1OO1CCCCCCCCCCCC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s8;s9;s10;s11;s12;s13;s1s14;s2s16;s17;s18;s3s4s19;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s18;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2030 CBGUSER 000126215 EM64L-G09RevD.01 1-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 132 C1[X(C16H26O4)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 256.16879999999986 0 1 AuxInfo=1/0/N:15,13,11,9,7,5,6,8,10,12,14,18,19,16,17,20,1,2,3,4/CRV:12.3,13.3,14.3,15.3,16.3,17.1,18.1,20.1/rA:46O1O1OO1CCCCCCCCCCCC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s8;s9;s10;s11;s12;s13;s1s14;s2s16;s17;s18;s3s4s19;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s18;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-27857.inp" -scrdir="/scratch/" chk=000126215-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 000126215 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 16 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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| 0.000088 0.000030 0.096433 0.024208 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.580839e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1326.0823239825 252 584 252 77 77 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 256.16879999999986 AuxInfo=1/0/N:15,13,11,9,7,5,6,8,10,12,14,18,19,16,17,20,1,2,3,4/CRV:12.3,13.3,14.3,15.3,16.3,17.1,18.1,20.1/rA:46O1O1OO1CCCCCCCCCCCC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s8;s9;s10;s11;s12;s13;s1s14;s2s16;s17;s18;s3s4s19;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s18;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.559013 0.000000 6.422275 5.075548 0.000000 5.114725 5.215170 2.331459 0.000000 7.864983 9.255690 13.910003 12.955353 0.000000 6.798768 7.823479 12.599957 11.800474 1.545397 0.000000 9.292623 10.379718 15.182183 14.345017 1.545374 2.582315 0.000000 5.328866 6.769129 11.332795 10.391565 2.581699 1.545179 3.964949 0.000000 10.424630 11.784470 16.489806 15.526203 2.582880 3.965892 1.545548 5.164578 0.000000 4.408800 5.293589 10.018791 9.277812 3.964377 2.581303 5.163618 1.545199 6.510801 0.000000 11.825243 12.946805 17.765034 16.901732 3.966165 5.165225 2.582910 6.511494 1.545436 7.746525 0.000000 2.877665 4.403521 8.765556 7.844644 5.156747 3.959670 6.504692 2.575056 7.739621 1.544542 9.071477 0.000000 12.993858 14.333099 19.070909 18.100856 5.166215 6.512833 3.966795 7.747909 2.583336 9.078319 1.545990 10.322945 0.000000 2.457044 2.875001 7.458260 6.819126 6.489026 5.142090 7.724402 3.944224 9.055927 2.560788 10.307307 1.538594 11.630380 0.000000 14.370707 15.512308 20.341714 19.460049 6.507553 7.741909 5.159597 9.073127 3.961779 10.323208 2.576693 11.639750 1.544196 12.883986 0.000000 1.260416 2.446303 6.211277 5.355208 7.717782 6.476001 9.044106 5.136182 10.300603 3.927525 11.619159 2.561577 12.883889 1.514125 14.191283 0.000000 2.431128 1.266028 4.848645 4.437897 9.084144 7.752583 10.334879 6.518690 11.657970 5.171298 12.917770 3.982601 14.235557 2.610538 15.494435 1.554915 0.000000 2.834097 2.432380 3.651776 2.951674 10.301345 9.043742 11.618473 7.719739 12.884160 6.476046 14.196599 5.144974 15.467436 3.946581 16.770334 2.583564 1.487881 0.000000 4.197770 2.901868 2.369978 2.452302 11.541029 10.231811 12.813817 8.965052 14.120286 7.651020 15.396528 6.401171 16.701131 5.091299 17.973144 3.855004 2.484909 1.363829 0.000000 5.125786 4.385926 1.401954 1.253494 12.778817 11.527232 14.102098 10.197264 15.361585 8.957662 16.679912 7.622330 17.944817 6.418021 19.253257 5.063289 3.860318 2.483758 1.484759 0.000000 7.863298 9.452286 13.989787 12.954660 1.110166 2.180011 2.180139 2.814573 2.808296 4.251202 4.253548 5.279252 5.281651 6.667150 6.687073 7.808511 9.210467 10.372456 11.633263 12.829912 0.000000 7.819771 9.491276 13.989034 12.912903 1.110265 2.180294 2.179791 2.806025 2.814485 4.253185 4.254001 5.268619 5.286669 6.670522 6.687926 7.794767 9.217508 10.358650 11.632762 12.812827 1.775887 0.000000 7.103004 7.768299 12.651277 11.992908 2.179643 1.110315 2.814769 2.180543 4.253594 2.805064 5.286869 4.250762 6.692706 5.254681 7.823953 6.654502 7.823090 9.171928 10.299611 11.640643 2.531082 3.095426 0.000000 7.066994 7.821825 12.659207 11.958906 2.179973 1.110219 2.806226 2.180135 4.252530 2.815820 5.278567 4.248323 6.690023 5.267345 7.815938 6.648479 7.839904 9.166073 10.307890 11.631587 3.095388 2.539405 1.776135 0.000000 9.487562 10.379961 15.230619 14.472874 2.180018 2.814087 1.110222 4.251860 2.180094 5.285733 2.808762 6.683107 4.253385 7.808511 5.274023 9.167131 10.400315 11.712619 12.873956 14.185972 3.095530 2.532257 3.145974 2.580837 0.000000 9.519742 10.336543 15.224994 14.505561 2.180253 2.807781 1.110331 4.253785 2.179951 5.277782 2.813706 6.686684 4.255041 7.799235 5.279038 9.173464 10.387663 11.719214 12.868164 14.195796 2.538634 3.095525 2.583184 3.121596 1.775945 0.000000 5.320903 7.040125 11.431601 10.388033 2.805016 2.180152 4.252245 1.109993 5.277645 2.179628 6.689726 2.808804 7.822813 4.232320 9.201957 5.270251 6.694982 7.813860 9.084383 10.260734 2.580824 3.117745 2.540963 3.095637 4.785704 4.452738 0.000000 5.266359 7.083638 11.428322 10.340323 2.815750 2.179735 4.253120 1.110046 5.287761 2.180050 6.691578 2.795352 7.831569 4.234450 9.204335 5.251860 6.701712 7.796018 9.081612 10.239767 3.149339 2.583139 3.095687 2.530376 4.438304 4.788228 1.775605 0.000000 10.424952 11.937907 16.556765 15.526670 2.814016 4.253198 2.180218 5.286026 1.110245 6.688909 2.180128 7.822441 2.810622 9.183958 4.250784 10.369098 11.756191 12.941256 14.195433 15.404310 2.582435 3.143755 4.440722 4.786457 3.095585 2.533232 5.163247 5.476179 0.000000 10.389583 11.972088 16.557284 15.490381 2.809141 4.254387 2.180317 5.279517 1.110363 6.691350 2.179875 7.814365 2.812680 9.187641 4.250768 10.358512 11.762981 12.930297 14.196059 15.390161 3.125565 2.583773 4.788508 4.451116 2.537786 3.095636 5.447152 5.166900 1.775979 0.000000 4.859556 5.218878 10.084478 9.518557 4.250941 2.814826 5.286252 2.178816 6.689264 1.110322 7.829854 2.183714 9.207694 2.784949 10.386150 4.214971 5.279036 6.653772 7.742851 9.102741 4.434375 4.786235 2.581385 3.151660 5.477086 5.164554 2.528186 3.094675 6.805026 7.042255 0.000000 4.819681 5.284737 10.093963 9.483989 4.250294 2.802105 5.273940 2.179296 6.687259 1.110331 7.818318 2.182470 9.204192 2.799892 10.375092 4.207974 5.300195 6.647988 7.752953 9.094208 4.783878 4.452379 3.113187 2.579291 5.160115 5.441144 3.094695 2.540607 7.038016 6.820166 1.776411 0.000000 11.978420 12.948158 17.806721 17.009831 4.254214 5.286226 2.813975 6.690288 2.180981 7.829310 1.110279 9.200364 2.179611 10.371113 2.801585 11.715261 12.970672 14.273805 15.446924 16.750836 4.788059 4.443462 5.473178 5.163641 2.582814 3.141521 7.041047 6.809782 3.096225 2.534954 7.961813 7.742895 0.000000 12.007751 12.913996 17.804127 17.041328 4.256261 5.283117 2.811801 6.693862 2.181141 7.825072 1.110389 9.205498 2.179688 10.365702 2.803393 11.722782 12.962367 14.281834 15.444257 16.761951 4.452101 4.790329 5.168908 5.452730 3.129794 2.585733 6.822688 7.046227 2.537568 3.096243 7.750255 7.932948 1.775954 0.000000 2.841538 4.814879 8.888898 7.828501 5.273601 4.253345 6.688888 2.802719 7.818042 2.184585 9.205276 1.107485 10.382300 2.173509 11.745389 2.811349 4.262629 5.277936 6.563177 7.699955 5.160752 5.435679 4.459957 4.787193 7.039135 6.825512 2.579973 3.106909 7.743122 7.926380 2.551560 3.099823 9.462902 9.308565 0.000000 2.770339 4.862573 8.882229 7.775796 5.288869 4.254662 6.691455 2.818289 7.832189 2.184804 9.208832 1.107193 10.395070 2.174244 11.749537 2.786783 4.269679 5.255364 6.557437 7.674952 5.480575 5.165478 4.790537 4.438982 6.806454 7.044994 3.153256 2.582341 7.965146 7.749230 3.100767 2.537285 9.291964 9.471379 1.766570 0.000000 12.963149 14.485690 19.127033 18.067652 5.280196 6.690116 4.252165 7.822409 2.808630 9.206378 2.178341 10.376618 1.109331 11.730958 2.181906 12.927827 14.319420 15.503527 16.762972 17.966931 5.453474 5.164932 7.042422 6.816361 4.446122 4.786874 7.935055 7.748033 3.129559 2.581171 9.464879 9.299412 2.533854 3.093493 10.461239 10.330343 0.000000 12.992197 14.456591 19.126298 18.099214 5.283537 6.689060 4.251846 7.827195 2.810297 9.204295 2.178466 10.382916 1.109237 11.727759 2.182180 12.936385 14.313523 15.512665 16.762186 17.979065 5.163259 5.467894 6.809983 7.038841 4.785073 4.442967 7.744044 7.958375 2.580836 3.135678 9.289108 9.459436 3.093454 2.532852 10.323857 10.493760 1.774654 0.000000 3.150419 2.804922 7.532794 7.088059 6.693267 5.275571 7.819488 4.258971 9.209025 2.804918 10.383107 2.200692 11.754088 1.111173 12.947789 2.132039 2.826517 4.204606 5.216975 6.588104 7.042802 6.834079 5.431960 5.164890 7.745606 7.923021 4.791188 4.470253 9.465565 9.314079 3.102537 2.585739 10.328282 10.462656 3.107906 2.572697 11.834691 11.953468 0.000000 3.180716 2.711969 7.513492 7.110982 6.703162 5.300698 7.843852 4.266787 9.220527 2.829262 10.406662 2.204057 11.767158 1.109995 12.970826 2.135825 2.791156 4.201932 5.196828 6.586419 6.818350 7.055630 5.177420 5.492569 7.977048 7.760599 4.451930 4.800122 9.302793 9.480568 2.596053 3.162266 10.508816 10.346305 2.558609 3.110249 11.969664 11.828805 1.746108 0.000000 14.560218 15.527815 20.417512 19.621122 6.726918 7.862546 5.318968 9.244639 4.285664 10.423904 2.844630 11.784805 2.198197 12.972433 1.106544 14.316961 15.573350 16.883482 18.055615 19.365274 6.850843 7.077211 7.787274 7.977319 5.494166 5.204133 9.336830 9.503477 4.475336 4.816184 10.368573 10.504450 3.165210 2.618429 11.865282 11.995687 3.108281 2.547424 13.054328 12.964619 0.000000 15.198629 16.478195 21.256251 20.304843 7.363172 8.673039 6.100150 9.943948 4.782188 11.249202 3.540528 12.518581 2.205180 13.806814 1.105687 15.078225 16.415300 17.661378 18.886281 20.140657 7.465441 7.467911 8.793336 8.787816 6.264569 6.268807 10.018071 10.023850 4.940001 4.939838 11.342198 11.335432 3.817903 3.820634 12.581245 12.590552 2.529668 2.531935 13.901513 13.918424 1.787377 0.000000 14.531323 15.551434 20.414844 19.588872 6.721517 7.860153 5.316012 9.237598 4.282293 10.422423 2.841631 11.776151 2.197839 12.971990 1.106481 14.306027 15.575437 16.871833 18.053009 19.350742 7.071199 6.842006 7.989059 7.776856 5.196034 5.498918 9.494202 9.324244 4.813172 4.471145 10.523796 10.356095 2.613220 3.163690 11.982935 11.849231 2.548596 3.108226 12.941413 13.090561 1.785639 1.787406 0.000000 2.446671 3.374028 4.081344 2.694110 10.261936 9.113332 11.652427 7.697520 12.834414 6.608774 14.207817 5.155265 15.410758 4.217150 16.766310 2.714501 2.218811 1.096031 2.147954 2.724794 10.276329 10.236306 9.331839 9.299007 11.795602 11.825857 7.713587 7.665478 12.847001 12.813462 6.903920 6.868143 14.325010 14.353464 5.166083 5.108438 15.390809 15.419183 4.609096 4.637558 16.929607 17.614276 16.900651 0.000000 4.856974 2.623944 2.504129 3.381773 11.741363 10.358166 12.932375 9.197351 14.300105 7.790328 15.509813 6.690908 16.866723 5.255733 18.082205 4.253142 2.720010 2.145553 1.096031 2.217130 11.881363 11.903756 10.343283 10.376313 12.947404 12.919621 9.378426 9.400819 14.414136 14.435086 7.774531 7.811854 15.523135 15.501261 6.938170 6.958944 16.979184 16.960722 5.250392 5.202117 18.117335 19.030040 18.131179 3.124039 0.000000 7.095407 6.034217 0.995683 2.414417 14.726859 13.450174 16.029895 12.145451 17.309529 10.872697 18.610962 9.571019 19.892699 8.318160 21.186490 7.009496 5.720944 4.426356 3.239845 1.972026 14.782996 14.772423 13.529610 13.527381 16.093444 16.097219 12.213670 12.199987 17.357246 17.348806 10.971031 10.970028 18.665784 18.671644 9.651768 9.634698 19.924581 19.931810 8.422558 8.412958 21.281057 22.085128 21.270972 4.677789 3.491564 0.000000 C16H26O4 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 0 256.16879999999986 AuxInfo=1/0/N:15,13,11,9,7,5,6,8,10,12,14,18,19,16,17,20,1,2,3,4/CRV:12.3,13.3,14.3,15.3,16.3,17.1,18.1,20.1/rA:46O1O1OO1CCCCCCCCCCCC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s6;s7;s8;s9;s10;s11;s12;s13;s1s14;s2s16;s17;s18;s3s4s19;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s15;s18;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 2.3292190 0.0449323 0.0442202 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= 14878 NPrTT= 74418 LenC2= 9756 LenP2D= 30255. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 1.21D-03 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 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= 213 214 217 217 218 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -924.419846493101 -924.527727566288 -0.107881073187 -924.747976233501 -0.220248667213 -921.479667548870 3.268308684631 -923.291831401243 -1.812163852373 -924.777349941268 -1.485518540025 -924.859115300960 -0.081765359692 -924.944705799093 -0.085590498133 -924.975114052951 -0.030408253858 -924.981937696275 -0.006823643324 -924.983352085050 -0.001414388775 -924.983444903696 -0.000092818646 -924.983452118114 -0.000007214418 -924.983387982961 0.000064135154 -924.983386281721 0.000001701239 -924.983388339523 -0.000002057802 -924.983388346642 -0.000000007118 -924.983388372170 -0.000000025528 -924.983388379933 -0.000000007763 -924.983388380050 -0.000000000118 -924.983388380088 -0.000000000037 -924.983388380112 -0.000000000024 -924.983388380 22 9.203195207167e+02 -4.809279986004e+03 1.637894752925e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=516428995. IVT= 212602 IEndB= 212602 NGot= 939524096 MDV= 431192114 LenX= 431192114 LenY= 431128169 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= 31878 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 46. Will process 47 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 939523380 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=516230005. 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= 31878 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 1.35D-14 1.00D-09 XBig12= 3.66D+02 1.19D+01. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 1.35D-14 1.00D-09 XBig12= 2.43D+02 3.00D+00. 138 vectors produced by pass 2 Test12= 1.35D-14 1.00D-09 XBig12= 7.33D-01 1.18D-01. 136 vectors produced by pass 3 Test12= 1.35D-14 1.00D-09 XBig12= 7.29D-04 3.07D-03. 67 vectors produced by pass 4 Test12= 1.35D-14 1.00D-09 XBig12= 8.08D-08 3.01D-05. 8 vectors produced by pass 5 Test12= 1.35D-14 1.00D-09 XBig12= 8.27D-12 4.77D-07. 2 vectors produced by pass 6 Test12= 1.35D-14 1.00D-09 XBig12= 2.12D-15 6.13D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 627 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 193.85 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 288.028 4.083 169.834 -0.169 -0.421 123.701 368.332 11.713 366.181 -0.667 -3.507 213.858 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2733.600S Sat Jul 1 12:46:17 2017 -18.82875 -18.79628 -18.79179 -18.78467 -10.05823 -10.02026 -10.01482 -9.95864 -9.95003 -9.91836 -9.89911 -9.89393 -9.88873 -9.88662 -9.88526 -9.88489 -9.88400 -9.88321 -9.88278 -9.87707 -1.03317 -0.99286 -0.97790 -0.95377 -0.76157 -0.74011 -0.72557 -0.70875 -0.68549 -0.66978 -0.65180 -0.62113 -0.59675 -0.56947 -0.53958 -0.51866 -0.51720 -0.50862 -0.50571 -0.49658 -0.46141 -0.44186 -0.43681 -0.42614 -0.42546 -0.41727 -0.41700 -0.41207 -0.39648 -0.39435 -0.37941 -0.37795 -0.37428 -0.36769 -0.35913 -0.35646 -0.35111 -0.34084 -0.33993 -0.33220 -0.32529 -0.31118 -0.30484 -0.29593 -0.29527 -0.29172 -0.28838 -0.28185 -0.27934 -0.27810 -0.27475 -0.27201 -0.27124 -0.26927 -0.25376 -0.25239 -0.21443 -0.16614 -0.10521 -0.02763 0.02453 0.02632 0.07501 0.08425 0.08569 0.09132 0.09638 0.10599 0.11028 0.11206 0.11625 0.12866 0.13331 0.13456 0.13643 0.14584 0.14877 0.14927 0.15456 0.15965 0.16443 0.16798 0.17157 0.17524 0.18083 0.18471 0.18773 0.18847 0.19599 0.19651 0.19821 0.20066 0.20208 0.21751 0.22200 0.22263 0.22624 0.23346 0.23846 0.24039 0.24585 0.24683 0.25065 0.25997 0.26997 0.27204 0.27481 0.27979 0.28113 0.28979 0.30342 0.30413 0.30843 0.31043 0.31184 0.31571 0.31812 0.31952 0.33604 0.34254 0.34807 0.35471 0.36421 0.36683 0.37919 0.38210 0.38394 0.38860 0.39800 0.40056 0.42049 0.42362 0.43546 0.43941 0.45511 0.45732 0.46623 0.47319 0.48160 0.49375 0.49787 0.49827 0.50879 0.51616 0.52086 0.53860 0.54159 0.54897 0.55499 0.56670 0.56903 0.58989 0.61520 0.62804 0.65259 0.70304 0.70635 0.72251 0.73193 0.75130 0.75785 0.76854 0.80434 0.80679 0.81277 0.82123 0.83726 0.85863 0.86958 0.89577 0.90489 0.93088 0.94459 0.95259 0.95459 0.96441 0.96843 0.98547 0.98690 1.00244 1.01150 1.01929 1.02342 1.03653 1.05013 1.06435 1.07272 1.08674 1.09055 1.10281 1.12974 1.13368 1.15518 1.16398 1.17456 1.17558 1.17734 1.17933 1.19222 1.21822 1.27455 1.28964 1.31831 1.33179 1.35767 1.42326 1.49586 1.54475 1.56679 1.62356 1.62861 1.68896 22.30436 22.41322 22.48311 22.49715 22.54023 22.56406 22.57942 22.60089 22.62489 22.64725 22.66588 22.67768 22.68410 22.68716 22.69282 22.69466 41.43427 41.49758 41.50180 41.51375 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 O O O O C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.175831 -0.174468 -0.416434 -0.223072 -0.385035 -0.385447 -0.381941 -0.385807 -0.373057 -0.374511 -0.353199 -0.372197 -0.356831 -0.508743 -0.696559 0.127446 0.061768 -0.198460 -0.231416 0.158292 0.193894 0.193787 0.193491 0.193698 0.192065 0.191933 0.196119 0.196229 0.189764 0.189603 0.192944 0.192659 0.187610 0.187566 0.215681 0.218995 0.194793 0.194968 0.256392 0.261383 0.209623 0.215168 0.209603 0.304103 0.287044 0.386388 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 O O O O C C C C C C C C C C C C C C C C -0.175831 -0.174468 -0.030046 -0.223072 0.002646 0.001742 0.002057 0.006540 0.006310 0.011092 0.021977 0.062479 0.032930 0.009033 -0.062164 0.127446 0.061768 0.105643 0.055628 0.158292 0.00000 1.70462719e-01 5.51735391e-01 1.59212604e-02 2.88027935e+02 4.08289728e+00 1.69833860e+02 -1.68589992e-01 -4.21228312e-01 1.23701042e+02 -31.6913 -5.2920 -0.0017 0.0011 0.0015 2.7592 7.6618 13.6411 16.2815 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -26.2095 8.7875 15.8218 22.1085 41.3074 43.8074 49.2320 51.0798 78.5989 85.4749 87.7584 117.1457 119.8260 121.9065 137.8905 138.7699 147.4359 149.5624 162.4503 199.0811 229.0028 244.9206 253.4000 285.2826 308.2436 380.6224 390.0858 402.5167 459.5884 475.3715 488.7683 535.6790 571.0790 587.4704 641.5548 694.8771 701.3864 718.6113 721.2207 727.0347 742.9365 772.2358 812.6120 815.8732 861.3796 886.9633 912.8349 928.1964 941.0326 952.5687 974.5047 985.1845 998.2570 1022.1905 1024.5977 1028.6366 1047.0640 1054.2945 1062.0426 1079.3370 1079.5843 1081.6994 1088.5422 1092.2602 1122.2827 1149.5969 1180.8367 1200.6465 1204.9989 1226.9689 1227.3610 1237.7216 1254.0901 1264.5959 1274.8710 1278.2859 1283.5019 1286.8587 1289.3945 1295.6590 1297.2427 1297.8465 1318.6807 1328.7583 1340.8350 1350.8916 1352.8904 1356.9601 1365.7449 1386.6200 1413.2938 1458.8878 1459.0751 1462.1975 1463.0970 1465.5260 1470.5248 1475.9854 1476.8552 1481.5688 1486.1183 1488.1342 1566.1822 1610.8878 1634.1784 1651.6183 2948.6238 2949.0237 2950.4407 2951.8276 2953.6701 2958.7451 2964.0369 2966.6109 2967.5623 2971.1484 2981.7494 2985.3683 2989.7879 2990.5034 2997.5802 3004.0327 3009.0345 3020.7799 3031.9449 3041.0613 3054.0872 3067.7241 3070.0899 3153.2418 3157.7521 3521.6926 1.8956 4.7639 5.3410 5.4561 4.0712 4.3687 4.4490 2.2631 2.6609 1.8599 4.6775 2.3094 5.4330 1.8864 4.8188 5.9456 2.1081 2.0143 2.4489 4.2723 1.1151 6.4288 5.5293 6.3708 3.8552 3.5128 3.6092 3.4369 5.4820 3.2852 3.1362 5.1293 1.5798 5.7536 1.6420 2.4196 6.2718 1.0597 1.0777 1.1528 1.2387 1.3113 1.4059 5.9028 1.3391 1.9049 1.4296 1.7114 3.8467 4.8846 1.2372 4.8563 3.8823 1.1749 3.2039 1.0975 2.9976 2.2641 2.9109 2.1232 2.4236 2.2499 2.1648 1.4671 2.8703 2.1559 1.8864 1.5728 1.3019 1.4160 1.3989 1.3561 1.2805 1.3414 1.1737 1.0272 1.5016 1.0717 1.1115 1.4388 1.1138 1.1177 1.4910 2.1486 1.5552 1.6768 1.6471 1.6493 1.7795 1.2164 1.0993 1.0734 1.0725 1.0719 1.0633 1.0782 1.0835 1.0744 1.0527 1.0878 1.0904 1.0958 12.2245 9.2405 8.9344 6.3488 1.0584 1.0584 1.0590 1.0589 1.0594 1.0592 1.0587 1.0625 1.0584 1.0364 1.0962 1.0973 1.0602 1.0986 1.1007 1.0953 1.1028 1.1046 1.1049 1.1046 1.1032 1.1007 1.0993 1.0984 1.0863 1.0642 0.0008 0.0002 0.0008 0.0016 0.0041 0.0049 0.0064 0.0035 0.0097 0.0080 0.0212 0.0187 0.0460 0.0165 0.0540 0.0675 0.0270 0.0265 0.0381 0.0998 0.0345 0.2272 0.2092 0.3055 0.2158 0.2998 0.3236 0.3281 0.6822 0.4374 0.4414 0.8672 0.3036 1.1699 0.3982 0.6884 1.8178 0.3224 0.3303 0.3590 0.4028 0.4607 0.5470 2.3150 0.5854 0.8829 0.7019 0.8687 2.0070 2.6114 0.6922 2.7771 2.2794 0.7233 1.9817 0.6842 1.9363 1.4828 1.9344 1.4573 1.6643 1.5510 1.5113 1.0313 2.1300 1.6787 1.5498 1.3358 1.1138 1.2560 1.2416 1.2240 1.1865 1.2639 1.1239 0.9889 1.4574 1.0456 1.0887 1.4231 1.1043 1.1092 1.5276 2.2351 1.6473 1.8029 1.7763 1.7893 1.9556 1.3780 1.2937 1.3460 1.3453 1.3503 1.3411 1.3644 1.3804 1.3790 1.3528 1.4068 1.4189 1.4298 17.6671 14.1279 14.0576 10.2038 5.4218 5.4234 5.4314 5.4361 5.4452 5.4631 5.4800 5.5091 5.4918 5.3907 5.7422 5.7618 5.5836 5.7886 5.8274 5.8238 5.8833 5.9386 5.9841 6.0187 6.0628 6.1032 6.1045 6.4348 6.3820 7.7763 0.0198 0.0228 0.1749 1.0034 0.0047 1.5460 1.2506 0.1880 2.4045 0.0499 0.2958 1.4390 1.0391 0.0395 0.3945 2.0334 0.0787 0.1216 1.5656 4.0890 0.0091 1.0132 6.0795 10.0657 0.5511 3.1723 10.5234 7.4690 36.4381 7.4820 1.9724 15.6021 69.3787 36.1419 51.7224 69.4409 36.6561 17.2296 0.5966 1.4622 1.7592 0.4038 0.5403 4.5160 0.8288 4.7556 0.7297 0.9166 2.9913 30.1164 1.0948 2.1614 0.8108 0.8844 1.5260 50.6012 38.3946 359.7142 8.0608 0.1504 1.0182 0.4863 0.1992 0.2418 15.1626 5.0286 0.1732 0.5841 43.3161 29.9400 4.4695 3.8756 0.0829 28.3645 0.3649 0.2933 59.1304 0.1016 0.1272 0.4266 0.0662 0.1080 44.7446 193.7090 1.6555 0.5313 0.0421 0.3016 6.0097 11.1907 37.2861 0.0350 0.0241 0.2376 0.0189 1.3423 0.6361 4.7028 10.4340 1.3664 1.7910 39.5820 95.6809 57.1056 190.1995 5.9825 0.0261 0.3966 0.0038 1.7500 3.9875 1.0874 73.9277 19.1581 203.5792 37.2740 0.0724 0.2637 31.8145 1.0601 1.0939 1.4636 0.0377 4.1508 0.4642 181.3919 114.1375 99.0977 55.6101 2.3314 3.2897 56.1813 8 8 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.00 0.00 0.06 0.00 0.00 -0.11 0.00 -0.01 -0.02 0.00 0.00 0.10 0.00 0.01 -0.06 0.00 0.00 0.02 0.00 0.00 0.05 0.00 0.01 -0.03 0.00 0.01 -0.09 0.00 0.01 0.00 0.00 -0.01 0.08 0.00 0.01 -0.02 0.00 0.01 -0.10 0.00 0.00 -0.01 0.00 -0.03 0.10 0.00 0.00 0.01 0.00 0.00 -0.03 0.00 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 0.03 0.01 0.13 -0.13 -0.01 -0.08 -0.15 -0.01 0.07 0.09 0.01 -0.08 0.07 0.01 -0.15 0.14 0.00 0.12 0.17 0.01 0.06 -0.07 -0.01 -0.04 -0.08 0.01 0.19 -0.19 -0.01 -0.14 -0.23 -0.01 0.03 0.03 0.00 -0.03 0.02 0.00 -0.21 0.20 0.00 0.16 0.24 0.01 0.02 -0.02 0.00 -0.01 -0.03 -0.01 -0.17 -0.27 0.01 0.22 -0.22 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.02 0.16 0.27 0.00 -0.02 -0.04 0.00 -0.25 0.22 0.00 0.00 0.07 0.00 -0.01 -0.08 0.00 -0.01 0.01 0.02 0.02 -0.12 -0.02 0.01 0.01 -0.01 -0.05 0.20 0.02 -0.04 0.10 0.00 0.04 -0.08 0.00 0.05 -0.14 0.00 0.02 -0.07 0.00 0.05 -0.14 -0.01 0.00 0.03 0.00 0.05 -0.15 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