Gaussian 09 GINC-KIMIK2075 CBGUSER 000198411 EM64L-G09RevD.01 3-Nov-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 184.14919999999995 0 1 AuxInfo=1/0/N:10,11,12,13,14,15,9,4,5,7,8,2,3,6,1/E:(1,2,3,4)(5,6)(8,9)(10,11)(12,13)/CRV:7.3,10.3,11.3,12.3,13.3,14.3/rA:37OC3C3CCC3C3C3C3CCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s3;s1s2s3;s2;s3;s7s8;s4;s4;s5;s5;s7;s8;s4;s5;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-9149.inp" -scrdir="/scratch/" chk=000198411.chk nprocshared=4 mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000198411 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 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (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 1 1 2 2 2 3 3 3 4 4 4 5 5 5 7 7 8 8 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 6 37 4 6 7 5 6 8 10 11 16 12 13 17 9 14 9 15 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 1.3788 1.0013 1.5147 1.4117 1.4086 1.5169 1.4135 1.405 1.537 1.537 1.1206 1.5356 1.5356 1.1198 1.3995 1.4979 1.4036 1.4972 1.0872 1.0969 1.0943 1.0984 1.0984 1.0943 1.0969 1.0992 1.0931 1.094 1.094 1.0931 1.0992 1.0993 1.0993 1.098 1.0998 1.0998 1.0975 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 6 4 4 6 5 5 6 2 2 2 10 10 11 3 3 3 12 12 13 1 1 2 2 2 9 3 3 9 7 7 8 4 4 4 19 19 20 4 4 4 22 22 23 5 5 5 25 25 26 5 5 5 28 28 29 7 7 7 31 31 32 8 8 8 34 34 35 1 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 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 37 6 7 7 6 8 8 10 11 16 11 16 16 12 13 17 13 17 17 2 3 3 9 14 14 9 15 15 8 18 18 19 20 21 20 21 21 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 112.1175 121.5858 121.2037 117.2104 120.9484 121.8688 117.1828 111.0117 111.0136 109.3896 111.2491 106.9996 106.9985 110.6281 110.6276 109.4084 111.3198 107.3653 107.3655 121.5467 114.6736 123.7797 120.0733 121.6448 118.2819 120.1365 121.5654 118.2981 121.6172 119.3006 119.0822 110.7609 111.4443 112.1482 107.8049 106.7897 107.6634 112.1485 111.444 110.7612 107.6627 106.7901 107.8049 110.8773 111.3784 111.2219 107.6 107.3359 108.2541 111.222 111.3786 110.877 108.2542 107.3356 107.6002 111.2915 111.29 112.52 107.7934 106.8349 106.8351 111.2052 111.2036 112.6588 107.546 106.9752 106.9755 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 37 37 6 6 6 7 7 7 4 4 7 7 4 4 6 6 6 6 6 8 8 8 5 5 8 8 5 5 6 6 2 2 2 11 11 11 16 16 16 2 2 2 10 10 10 16 16 16 3 3 3 13 13 13 17 17 17 3 3 3 12 12 12 17 17 17 2 2 14 14 2 2 2 9 9 9 3 3 15 15 3 3 3 9 9 9 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 6 6 4 4 4 4 4 4 6 6 6 6 7 7 7 7 5 5 5 5 5 5 6 6 6 6 8 8 8 8 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 9 9 9 9 14 14 14 14 14 14 9 9 9 9 15 15 15 15 15 15 2 3 10 11 16 10 11 16 1 3 1 3 9 14 9 14 12 13 17 12 13 17 1 2 1 2 9 15 9 15 19 20 21 19 20 21 19 20 21 22 23 24 22 23 24 22 23 24 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 8 18 8 18 31 32 33 31 32 33 7 18 7 18 34 35 36 34 35 36 0.0086 -179.9946 62.1436 -62.1507 179.9966 -117.8529 117.8528 0.0001 -0.0004 -179.9968 179.9963 -0.0002 179.997 -0.0021 0.0003 -179.9987 61.9204 -61.9138 -179.9966 -118.0812 118.0847 0.0018 0.0021 179.9988 -179.9964 0.0003 -179.999 0.0013 -0.0006 179.9997 55.2464 175.2617 -63.9517 179.4068 -60.5779 60.2088 -64.0491 55.9662 176.7529 63.9592 -175.2551 -55.2399 -60.2002 60.5855 -179.3993 -176.745 -55.9593 64.056 -63.2885 176.9207 56.0664 60.1468 -59.644 179.5016 177.3882 57.5974 -63.2569 -56.0677 -176.9224 63.2866 -179.5033 59.642 -60.149 63.2554 -57.5993 -177.3903 -0.0006 -179.9998 179.9985 -0.0007 -60.1121 60.1435 -179.9846 119.8889 -119.8555 0.0163 0.0007 179.9999 -179.9996 -0.0004 -59.8934 59.9323 -179.9809 120.1069 -120.0674 0.0193 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 200 222 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 37 37 37 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= 9045 NPrTT= 44932 LenC2= 8577 LenP2D= 28370. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 194 RedAO= T EigKep= 2.33D-04 NBF= 194 NBsUse= 194 1.00D-06 EigRej= -1.00D+00 NBFU= 194 Using GEDIIS/GDIIS optimizer. local minimum Step number 8 out of a maximum of 200 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00228 0.00278 0.00294 0.00296 0.00543 0.00793 0.00803 0.01006 0.01379 0.01435 0.01523 0.01581 0.01944 0.01967 0.01995 0.02049 0.02069 0.03877 0.04090 0.04479 0.04850 0.05019 0.05213 0.05232 0.05451 0.05495 0.05535 0.05564 0.05589 0.05598 0.05704 0.06101 0.07029 0.07083 0.07249 0.07257 0.14643 0.15108 0.15985 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16008 0.16010 0.16168 0.16300 0.16498 0.17290 0.18234 0.18789 0.22548 0.23485 0.23655 0.24892 0.24989 0.25001 0.25432 0.28589 0.28916 0.28987 0.29437 0.30203 0.30628 0.31304 0.31562 0.32343 0.32615 0.33462 0.33693 0.33704 0.33730 0.33760 0.33761 0.33779 0.33887 0.33937 0.33986 0.34032 0.34045 0.34151 0.34319 0.34332 0.34349 0.34416 0.34453 0.34794 0.35135 0.38532 0.39872 0.42039 0.43162 0.45437 0.46380 0.47118 0.49504 0.55161 RFO step: Lambda=-1.73817919D-08. 1 2 0.00015102 0.00000001 0.00000002 0.00000001 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 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 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 2.68053 1.86417 2.90772 2.69395 2.69499 2.89890 2.68974 2.69253 2.94406 2.94406 2.08585 2.93707 2.93707 2.08967 2.67149 2.87913 2.67581 2.87795 2.07257 2.08710 2.08996 2.09237 2.09237 2.08996 2.08710 2.08243 2.09153 2.08983 2.08983 2.09153 2.08243 2.09185 2.09185 2.08472 2.09079 2.09079 2.08517 1.92532 2.12918 2.10210 2.05191 2.12257 2.11385 2.04676 1.98252 1.98252 1.85564 1.95865 1.83398 1.83399 1.96432 1.96432 1.86800 1.94322 1.85786 1.85786 2.10445 2.01655 2.16218 2.07960 2.13292 2.07067 2.08582 2.12871 2.06866 2.14011 2.07188 2.07120 1.92832 1.92220 1.98885 1.89041 1.86267 1.86759 1.98885 1.92220 1.92832 1.86759 1.86267 1.89041 1.93371 1.92037 1.93776 1.89385 1.89063 1.88619 1.93776 1.92037 1.93371 1.88619 1.89063 1.89385 1.95887 1.95887 1.92414 1.87040 1.87362 1.87362 1.95528 1.95528 1.92662 1.86823 1.87729 1.87729 0.00003 -3.14155 1.13339 -1.13323 -3.14152 -2.00821 2.00836 0.00007 0.00000 3.14158 -3.14159 0.00000 3.14158 0.00000 -0.00001 3.14159 1.10651 -1.10650 3.14159 -2.03508 2.03509 0.00000 0.00002 -3.14157 -3.14158 0.00002 3.14157 -0.00002 -0.00002 3.14158 0.91093 2.99863 -1.18586 -3.09371 -1.00601 1.09268 -1.11015 0.97755 3.07624 1.18587 -2.99863 -0.91092 -1.09268 1.00600 3.09371 -3.07624 -0.97755 1.11016 -1.13223 3.05670 0.96942 1.09202 -1.00223 -3.08952 3.10983 1.01558 -1.07171 -0.96942 -3.05670 1.13223 3.08952 1.00223 -1.09202 1.07171 -1.01557 -3.10982 0.00001 -3.14158 -3.14159 0.00000 -1.05390 1.05394 -3.14158 2.08770 -2.08765 0.00003 0.00000 -3.14159 3.14159 0.00000 -1.04992 1.04999 -3.14156 2.09168 -2.09159 0.00004 -0.00003 0.00002 -0.00001 -0.00003 0.00000 0.00000 0.00001 0.00000 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 -0.00002 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 0.00002 -0.00002 -0.00001 0.00001 0.00001 -0.00001 -0.00002 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00002 0.00002 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00002 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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0.00000 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00005 -0.00003 0.00001 0.00004 -0.00004 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00017 0.00016 0.00018 0.00021 0.00019 0.00021 0.00021 0.00020 0.00022 -0.00017 -0.00015 -0.00017 -0.00020 -0.00018 -0.00019 -0.00021 -0.00019 -0.00021 0.00003 0.00004 0.00005 0.00011 0.00011 0.00012 0.00010 0.00010 0.00012 -0.00005 -0.00004 -0.00003 -0.00013 -0.00011 -0.00011 -0.00012 -0.00010 -0.00010 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00003 0.00000 -0.00003 0.00004 0.00000 0.00001 0.00004 -0.00003 -0.00003 -0.00005 -0.00003 -0.00003 -0.00004 -0.00004 -0.00003 -0.00003 -0.00005 -0.00001 0.00000 0.00001 0.00002 0.00002 0.00001 0.00000 0.00002 0.00000 0.00002 0.00002 0.00000 0.00001 0.00001 0.00001 0.00002 0.00001 0.00001 0.00002 0.00007 0.00007 -0.00002 -0.00005 0.00002 0.00001 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0.00001 -0.00002 0.00000 0.00004 0.00004 -0.00003 0.00001 -0.00002 -0.00002 0.00003 0.00003 -0.00003 0.00001 -0.00002 -0.00002 -0.00002 -0.00001 -0.00005 -0.00007 -0.00006 -0.00005 -0.00007 -0.00006 0.00000 -0.00001 0.00000 -0.00001 0.00002 0.00000 0.00002 0.00000 0.00001 -0.00013 -0.00006 0.00002 -0.00012 -0.00005 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00002 0.00001 0.00012 0.00014 0.00007 0.00019 0.00021 0.00014 0.00019 0.00021 0.00013 -0.00005 -0.00012 -0.00011 -0.00012 -0.00019 -0.00017 -0.00012 -0.00019 -0.00017 0.00020 0.00020 0.00017 0.00034 0.00034 0.00031 0.00029 0.00029 0.00026 -0.00017 -0.00020 -0.00020 -0.00031 -0.00033 -0.00033 -0.00026 -0.00029 -0.00029 -0.00001 -0.00001 0.00000 0.00000 -0.00003 0.00003 0.00000 -0.00005 0.00001 -0.00002 -0.00001 -0.00001 0.00000 0.00000 -0.00003 0.00002 0.00000 -0.00004 0.00001 -0.00001 2.68045 1.86420 2.90771 2.69390 2.69500 2.89890 2.68975 2.69253 2.94401 2.94401 2.08582 2.93703 2.93703 2.08965 2.67144 2.87909 2.67578 2.87787 2.07256 2.08710 2.08997 2.09239 2.09239 2.08997 2.08710 2.08244 2.09152 2.08985 2.08985 2.09152 2.08244 2.09186 2.09186 2.08475 2.09080 2.09080 2.08519 1.92540 2.12922 2.10208 2.05188 2.12260 2.11383 2.04675 1.98257 1.98257 1.85555 1.95860 1.83400 1.83400 1.96437 1.96438 1.86792 1.94325 1.85782 1.85782 2.10440 2.01660 2.16219 2.07964 2.13294 2.07061 2.08583 2.12873 2.06862 2.14008 2.07187 2.07123 1.92835 1.92220 1.98875 1.89040 1.86274 1.86758 1.98876 1.92220 1.92835 1.86758 1.86274 1.89041 1.93371 1.92038 1.93777 1.89385 1.89061 1.88620 1.93777 1.92038 1.93371 1.88620 1.89061 1.89385 1.95891 1.95891 1.92410 1.87041 1.87360 1.87360 1.95531 1.95531 1.92659 1.86824 1.87727 1.87727 0.00001 -3.14157 1.13333 -1.13330 -3.14158 -2.00827 2.00829 0.00001 0.00000 3.14158 -3.14159 -0.00001 -3.14158 0.00000 0.00000 3.14159 1.10651 -1.10663 3.14153 -2.03506 2.03498 -0.00005 0.00001 -3.14157 3.14159 0.00001 3.14158 -0.00002 0.00000 3.14159 0.91105 2.99877 -1.18580 -3.09352 -1.00579 1.09282 -1.10997 0.97776 3.07637 1.18582 -2.99876 -0.91103 -1.09280 1.00581 3.09354 -3.07635 -0.97774 1.10999 -1.13203 3.05690 0.96959 1.09236 -1.00189 -3.08921 3.11012 1.01587 -1.07144 -0.96959 -3.05690 1.13203 3.08921 1.00190 -1.09235 1.07145 -1.01586 -3.11011 0.00001 -3.14159 -3.14158 0.00000 -1.05394 1.05396 -3.14158 2.08765 -2.08763 0.00001 -0.00001 3.14159 3.14159 0.00000 -1.04995 1.05001 -3.14156 2.09164 -2.09158 0.00003 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000029 0.000007 0.000823 0.000151 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.038248e-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 1 1 2 2 2 3 3 3 4 4 4 5 5 5 7 7 8 8 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 6 37 4 6 7 5 6 8 10 11 16 12 13 17 9 14 9 15 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 1.4185 0.9865 1.5387 1.4256 1.4261 1.534 1.4233 1.4248 1.5579 1.5579 1.1038 1.5542 1.5542 1.1058 1.4137 1.5236 1.416 1.5229 1.0968 1.1044 1.106 1.1072 1.1072 1.106 1.1044 1.102 1.1068 1.1059 1.1059 1.1068 1.102 1.107 1.107 1.1032 1.1064 1.1064 1.1034 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 4 4 6 5 5 6 2 2 2 10 10 11 3 3 3 12 12 13 1 1 2 2 2 9 3 3 9 7 7 8 4 4 4 19 19 20 4 4 4 22 22 23 5 5 5 25 25 26 5 5 5 28 28 29 7 7 7 31 31 32 8 8 8 34 34 35 1 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 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 37 6 7 7 6 8 8 10 11 16 11 16 16 12 13 17 13 17 17 2 3 3 9 14 14 9 15 15 8 18 18 19 20 21 20 21 21 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 110.3127 121.9929 120.4414 117.5656 121.6141 121.1149 117.2709 113.5901 113.59 106.3201 112.2224 105.0795 105.0799 112.5473 112.5475 107.0284 111.3381 106.4475 106.4478 120.5763 115.54 123.8837 119.1521 122.2071 118.6408 119.5085 121.966 118.5255 122.6191 118.7099 118.6709 110.4846 110.1338 113.9528 108.3123 106.723 107.0052 113.9524 110.1339 110.4847 107.0051 106.7231 108.3124 110.7936 110.029 111.0255 108.5098 108.3252 108.0708 111.0256 110.029 110.7935 108.0709 108.3252 108.5097 112.2353 112.2353 110.245 107.1663 107.3506 107.3506 112.0293 112.0293 110.3873 107.0418 107.561 107.561 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 37 37 6 6 6 7 7 7 4 4 7 7 4 4 6 6 6 6 6 8 8 8 5 5 8 8 5 5 6 6 2 2 2 11 11 11 16 16 16 2 2 2 10 10 10 16 16 16 3 3 3 13 13 13 17 17 17 3 3 3 12 12 12 17 17 17 2 2 14 14 2 2 2 9 9 9 3 3 15 15 3 3 3 9 9 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 6 6 4 4 4 4 4 4 6 6 6 6 7 7 7 7 5 5 5 5 5 5 6 6 6 6 8 8 8 8 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 9 9 9 9 14 14 14 14 14 14 9 9 9 9 15 15 15 15 15 2 3 10 11 16 10 11 16 1 3 1 3 9 14 9 14 12 13 17 12 13 17 1 2 1 2 9 15 9 15 19 20 21 19 20 21 19 20 21 22 23 24 22 23 24 22 23 24 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 8 18 8 18 31 32 33 31 32 33 7 18 7 18 34 35 36 34 35 0.0018 -179.9978 64.9382 -64.9293 -179.9958 -115.0621 115.0703 0.0039 -0.0001 179.9995 -179.9998 -0.0001 -180.0005 0.0001 -0.0008 179.9998 63.3982 -63.398 179.9999 -116.6016 116.6022 0.0001 0.001 -179.9987 180.0007 0.0011 179.9987 -0.0009 -0.0011 179.9993 52.1923 171.809 -67.945 -177.2566 -57.6399 62.6061 -63.607 56.0097 176.2557 67.9451 -171.8091 -52.1921 -62.606 57.6397 177.2567 -176.2553 -56.0095 63.6074 -64.8719 175.1363 55.5435 62.5681 -57.4237 -177.0165 178.1802 58.1884 -61.4044 -55.5434 -175.1363 64.872 177.0166 57.4238 -62.5679 61.4047 -58.1881 -178.1798 0.0008 -179.9994 -179.9998 0.0001 -60.3843 60.3861 -179.9991 119.6163 -119.6133 0.0015 0.0002 180.0003 179.9998 0.0 -60.1559 60.1601 -179.9979 119.8445 -119.8395 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 184.14919999999995 AuxInfo=1/0/N:10,11,12,13,14,15,9,4,5,7,8,2,3,6,1/E:(1,2,3,4)(5,6)(8,9)(10,11)(12,13)/CRV:7.3,10.3,11.3,12.3,13.3,14.3/rA:37OC3C3CCC3C3C3C3CCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s3;s1s2s3;s2;s3;s7s8;s4;s4;s5;s5;s7;s8;s4;s5;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.435261 0.000000 2.350771 2.491959 0.000000 2.928701 1.514738 3.876003 0.000000 2.769559 3.872132 1.516853 5.100739 0.000000 1.378754 1.411693 1.413519 2.554864 2.550324 0.000000 3.688628 1.408554 2.842750 2.547392 4.359362 2.407358 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0.02044 1.17428 0.81405 0.71806 0.62902 0.87947 0.89025 0.86454 0.13104 0.06762 0.03133 1.17436 0.81359 0.76527 0.37217 0.98033 0.75201 0.82947 0.08203 0.03196 0.20389 1.17435 0.81384 0.75370 0.39995 0.91584 0.91511 0.77158 -0.05693 -0.27996 0.21113 1.17435 0.81383 0.75406 0.40358 0.91500 0.92000 0.76590 -0.05418 -0.28357 0.21082 1.17432 0.81392 0.74670 0.54289 0.91813 0.92873 0.79919 0.31994 0.26984 0.27575 1.17423 0.81427 0.72577 0.69164 0.92215 0.90322 0.89305 0.20605 0.20337 0.16215 1.17423 0.81427 0.72577 0.69164 0.92214 0.90321 0.89305 0.20606 0.20336 0.16216 1.17422 0.81428 0.72572 0.69181 0.93352 0.90923 0.87940 0.23550 0.21706 0.16655 1.17422 0.81428 0.72572 0.69182 0.93353 0.90922 0.87941 0.23549 0.21705 0.16656 1.17416 0.81424 0.72334 0.72575 0.90720 0.91919 0.92181 0.20934 0.26760 0.22008 1.17416 0.81424 0.72361 0.72402 0.90745 0.91726 0.92385 0.20607 0.26301 0.22581 0.51385 0.23565 0.51620 0.26265 0.52284 0.23516 0.51261 0.24527 0.51533 0.25995 0.52008 0.28311 0.52008 0.28311 0.51533 0.25994 0.51261 0.24527 0.50909 0.23140 0.51729 0.27287 0.51643 0.26774 0.51643 0.26774 0.51729 0.27287 0.50909 0.23138 0.51268 0.25919 0.51268 0.25918 0.51531 0.24173 0.51185 0.25573 0.51185 0.25572 0.51597 0.24718 0.47589 0.19885 -2.1525 0.0574 0.0001 2.1532 -85.8556 -89.9134 -95.9595 4.4071 -0.0006 0.0002 4.7206 0.6628 -5.3834 4.4071 -0.0006 0.0002 -10.5507 20.5955 0.0267 -9.4293 4.9717 0.0074 -3.1600 3.8469 0.0079 -0.0014 -2610.7116 -1526.1874 -459.0253 14.0797 0.0919 20.7805 0.0026 0.0881 -0.0012 -698.5227 -522.6415 -360.8415 0.0001 0.0289 4.0565 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 184.14919999999995 AuxInfo=1/0/N:10,11,12,13,14,15,9,4,5,7,8,2,3,6,1/E:(1,2,3,4)(5,6)(8,9)(10,11)(12,13)/CRV:7.3,10.3,11.3,12.3,13.3,14.3/rA:37OC3C3CCC3C3C3C3CCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s3;s1s2s3;s2;s3;s7s8;s4;s4;s5;s5;s7;s8;s4;s5;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.470147 0.000000 2.403941 2.514095 0.000000 2.963546 1.538698 3.923063 0.000000 2.839167 3.915785 1.534030 5.171437 0.000000 1.418477 1.425579 1.423349 2.593106 2.582303 0.000000 3.749319 1.426128 2.880255 2.573913 4.414225 2.438805 0.000000 3.702411 2.872174 1.424824 4.410863 2.577274 2.431978 2.482262 0.000000 4.192286 2.448790 2.454097 3.864861 3.870066 2.774639 1.413691 1.415980 0.000000 3.204703 2.591023 4.575226 1.557931 5.623445 3.247982 3.655003 5.231505 4.836838 0.000000 3.204548 2.591022 4.575163 1.557931 5.623332 3.247905 3.655064 5.231504 4.836887 2.586544 0.000000 3.031024 4.531419 2.568529 5.579933 1.554232 3.200542 5.207853 3.651324 4.827341 6.164081 5.599524 0.000000 3.031004 4.531436 2.568529 5.579951 1.554231 3.200542 5.207882 3.651330 4.827361 5.599668 6.163937 2.566950 0.000000 5.051444 2.582873 4.402461 3.017987 5.936462 3.861976 1.523571 3.853823 2.526767 4.075077 4.075195 6.691288 6.691324 0.000000 4.982087 4.393717 2.578191 5.932299 3.023890 3.853865 3.851698 1.522944 2.526656 6.715054 6.715058 4.093608 4.093604 5.045177 0.000000 4.030816 2.130831 4.644922 1.103786 6.018544 3.453565 2.577051 4.840995 3.987160 2.130784 2.130790 6.497940 6.497996 2.413123 6.321189 0.000000 3.917324 4.651678 2.137659 6.030614 1.105806 3.454138 4.861438 2.599233 4.011451 6.548801 6.548709 2.147485 2.147487 6.343686 2.437104 6.782461 0.000000 5.288917 3.437616 3.441029 4.737649 4.742578 3.871392 2.165876 2.167499 1.096757 5.721522 5.721599 5.717913 5.717935 2.697049 2.695782 4.661916 4.686322 0.000000 3.698423 2.797291 4.625934 2.202555 5.720799 3.490586 3.559016 5.103061 4.639777 1.104445 3.542683 6.514193 5.584791 3.899232 6.511136 2.491184 6.544938 5.429842 0.000000 4.130585 3.534135 5.646121 2.199194 6.682903 4.285679 4.508046 6.279711 5.784607 1.105957 2.818693 7.123414 6.638682 4.647953 7.775802 2.435324 7.629400 6.610429 1.791787 0.000000 2.640415 2.970194 4.424251 2.248057 5.206568 3.125987 4.230962 5.337115 5.233735 1.107236 2.916100 5.660468 4.981739 4.932521 6.771872 3.094721 6.207889 6.214168 1.774690 1.779149 0.000000 2.640205 2.970189 4.424176 2.248053 5.206431 3.125896 4.231017 5.337111 5.233782 2.916095 1.107237 4.981616 5.660244 4.932626 6.771873 3.094723 6.207780 6.214243 3.933858 3.236894 2.813660 0.000000 4.130463 3.534135 5.646070 2.199195 6.682807 4.285620 4.508097 6.279711 5.784650 2.818692 1.105957 6.638551 7.123297 4.648059 7.775805 2.435331 7.629320 6.610497 3.820335 2.598791 3.236896 1.779150 0.000000 3.698194 2.797290 4.625829 2.202556 5.720611 3.490465 3.559124 5.103061 4.639867 3.542684 1.104445 5.584520 6.513984 3.899445 6.511143 2.491195 6.544782 5.429982 4.380675 3.820336 3.933863 1.774692 1.791788 0.000000 2.387802 4.285452 2.871998 5.071243 2.201369 2.986538 5.219402 4.149903 5.136986 5.570365 4.909287 1.101974 2.843930 6.652474 4.889351 6.066923 3.077516 6.125973 6.063637 6.447134 4.976587 4.150927 5.882588 5.003435 0.000000 3.924485 5.599785 3.518872 6.626348 2.195210 4.232700 6.265968 4.527313 5.796196 7.103068 6.620117 1.106790 2.792892 7.762553 4.704312 7.570466 2.467735 6.634521 7.431278 8.054688 6.504526 5.924461 7.630136 6.633179 1.792687 0.000000 3.586264 4.623962 2.804567 5.720089 2.207260 3.483955 5.117669 3.580281 4.661824 6.552408 5.620553 1.105891 3.532578 6.526901 3.927974 6.536134 2.503705 5.454792 6.945278 7.485259 6.194621 5.102335 6.680715 5.387502 1.789877 1.790900 0.000000 3.586234 4.623989 2.804569 5.720118 2.207260 3.483955 5.117718 3.580294 4.661861 5.620663 6.552289 3.532579 1.105891 6.526965 3.927970 6.536227 2.503712 5.454833 5.387745 6.680823 5.102377 6.194403 7.485167 6.945124 3.865946 3.799945 4.385017 0.000000 3.924470 5.599798 3.518872 6.626363 2.195209 4.232701 6.265992 4.527318 5.796212 6.620275 7.102909 2.792892 1.106790 7.762584 4.704307 7.570513 2.467736 6.634540 6.633469 7.630283 5.924610 6.504291 8.054554 7.431039 3.173759 2.561507 3.799943 1.790900 0.000000 2.387776 4.285471 2.871999 5.071265 2.201367 2.986539 5.219432 4.149909 5.137007 4.909464 5.570195 2.843928 1.101974 6.652513 4.889348 6.066986 3.077518 6.125996 5.003760 5.882748 4.151089 4.976316 6.446994 6.063396 2.677725 3.173756 3.865943 1.789877 1.792687 0.000000 5.315310 2.930486 4.944253 3.008061 6.453979 4.258941 2.196139 4.523360 3.272691 4.268301 3.689353 6.985319 7.305367 1.106959 5.744183 2.251551 6.926215 3.469804 4.339066 4.666508 5.163722 4.653215 4.140946 3.320362 6.848968 8.083929 6.719172 7.277386 8.361454 7.188843 0.000000 5.315326 2.930498 4.944257 3.008087 6.453991 4.258950 2.196139 4.523349 3.272674 3.689215 4.268433 7.305353 6.985372 1.106959 5.744164 2.251641 6.926223 3.469775 3.320106 4.140833 4.653067 5.163812 4.666642 4.339295 7.188832 8.361447 7.277344 6.719246 8.083980 6.849031 1.781582 0.000000 5.902969 3.482774 4.862726 4.105618 6.367479 4.606449 2.168296 4.007028 2.591095 5.125146 5.125261 7.199290 7.199335 1.103187 4.926817 3.508085 6.598832 2.289088 4.841851 5.712354 5.959323 5.959429 5.712460 4.842060 7.306746 8.237121 6.953532 6.953614 8.237160 7.306794 1.780656 1.780656 0.000000 5.228727 4.932423 2.920166 6.447372 3.008586 4.246040 4.519762 2.192596 3.271590 7.008795 7.329738 4.284994 3.714019 5.743389 1.106397 6.902438 2.266476 3.469067 6.702835 8.099526 6.962315 7.312982 8.380093 7.260984 5.121728 4.720600 4.360029 3.347813 4.210286 4.633333 6.543252 6.296358 5.652424 0.000000 5.228766 4.932424 2.920193 6.447374 3.008629 4.246063 4.519738 2.192597 3.271561 7.329776 7.008798 3.714063 4.285035 5.743350 1.106398 6.902408 2.266518 3.469020 7.261019 8.380122 7.313057 6.962347 8.099524 6.702809 4.633373 4.210332 3.347848 4.360066 4.720642 5.121767 6.296335 6.543209 5.652366 1.779250 0.000000 5.850106 4.856238 3.480777 6.363667 4.111957 4.601151 4.005690 2.169727 2.592041 7.216915 7.216965 5.143576 5.143558 4.927837 1.103423 6.575696 3.531763 2.288703 6.934440 8.236924 7.418070 7.418120 8.236969 6.934529 5.912811 5.772053 4.872645 4.872617 5.772036 5.912796 5.653349 5.653309 4.570954 1.782794 1.782794 0.000000 0.986474 2.504399 3.243468 2.437338 3.823187 1.989150 3.916858 4.416338 4.651275 2.521006 2.520791 3.928487 3.928497 5.010011 5.794578 3.541086 4.894268 5.733506 3.237399 3.311438 1.911220 1.910904 3.311272 3.237113 3.155338 4.807212 4.408317 4.408329 4.807220 3.155350 5.152110 5.152141 5.973729 6.088973 6.088998 6.585978 0.000000 0.7764345 0.4764801 0.3418276 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= 192 192 192 192 192 MxSgAt= 37 MxSgA2= 37. 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 37 37 37 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 37 37 37 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 37 37 37 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 37 37 37 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 37 37 37 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 37 37 37 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 37 37 37 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= 9045 NPrTT= 44932 LenC2= 8531 LenP2D= 28094. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 194 RedAO= T EigKep= 2.64D-04 NBF= 194 NBsUse= 194 1.00D-06 EigRej= -1.00D+00 NBFU= 194 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= 192 192 192 192 192 MxSgAt= 37 MxSgA2= 37. 1 Closed 1 0 1 -620.656946607094 -620.792753784478 -0.135807177384 -621.053384901556 -0.260631117078 -621.053644082049 -0.000259180493 -621.060455516524 -0.006811434474 -621.060988033382 -0.000532516858 -621.061001333140 -0.000013299758 -621.061003011455 -0.000001678315 -621.060569557767 0.000433453687 -621.060570435120 -0.000000877352 -621.060570297778 0.000000137342 -621.060570627021 -0.000000329244 -621.060570636259 -0.000000009238 -621.060570637545 -0.000000001286 -621.060570637643 -0.000000000097 -621.060570637672 -0.000000000030 -621.060570637658 0.000000000015 -621.060570638 17 6.184609811206e+02 -3.567487201818e+03 1.266051366203e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=182739270. IVT= 133860 IEndB= 133860 NGot= 402653184 MDV= 223621255 LenX= 223621255 LenY= 223583178 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= 18915 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -8.46843188e-01 2.25667870e-02 2.31851603e-05 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 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.012153492 -0.034065013 -0.000006295 0.000641922 0.004125033 0.000001359 0.000264307 0.001142711 0.000000084 -0.008499683 0.003960948 -0.000001806 0.006435585 0.003643489 0.000000056 0.002285290 0.012778234 0.000001700 -0.000508372 0.007230365 -0.000004308 -0.000273331 0.007640014 0.000001937 0.000952613 -0.000211238 0.000000403 -0.003854274 0.000493674 0.005637693 -0.003850230 0.000495238 -0.005632615 -0.001770104 -0.005682125 -0.004550664 -0.001767935 -0.005684188 0.004552175 -0.009368086 0.004223841 -0.000000014 0.010242390 0.003937208 0.000000675 0.009243680 -0.006140930 -0.000000244 -0.007999031 -0.004283665 -0.000000776 -0.000155970 0.005796044 0.000000092 0.001009059 0.002477175 0.004200664 -0.006382460 -0.003948038 -0.000456879 0.001166090 -0.004681866 0.003942830 0.001164696 -0.004680800 -0.003942103 -0.006382493 -0.003947897 0.000458683 0.001008763 0.002476966 -0.004200541 -0.000836393 -0.000785401 0.000720481 0.008588398 -0.002975873 0.000236156 0.000670451 0.004845610 -0.006431326 0.000671538 0.004845227 0.006431350 0.008588843 -0.002975700 -0.000236860 -0.000833812 -0.000784308 -0.000720159 -0.004833577 -0.000413216 -0.003063076 -0.004834021 -0.000412853 0.003065917 0.003183809 0.002619277 -0.000000408 0.004274822 -0.000465174 0.002588387 0.004276444 -0.000465364 -0.002592209 -0.003336135 0.003170410 0.000000569 0.012970698 0.006702187 -0.000000925 0.034065013 0.005476059 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -621.070480648041 -621.070506959052 -0.000026311010 -621.070506887498 0.000000071553 -621.070507104047 -0.000000216549 -621.070507106729 -0.000000002683 -621.070507108584 -0.000000001854 -621.070507108618 -0.000000000034 -621.070507108636 -0.000000000018 -621.070507109 8 6.177088119349e+02 -3.530780446776e+03 1.248161974064e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=182739270. IVT= 133860 IEndB= 133860 NGot= 402653184 MDV= 223621255 LenX= 223621255 LenY= 223583178 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= 18915 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 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 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 -18.777793 -9.950133 -9.915339 -9.904460 -9.901660 -9.900048 -9.893582 -9.893310 -9.893300 -9.892306 -9.889175 -9.883546 -9.881979 -9.862898 -9.862889 -0.956252 -0.773303 -0.735600 -0.707113 -0.681696 -0.665994 -0.623849 -0.612476 -0.608628 -0.593935 -0.551478 -0.529040 -0.518161 -0.489751 -0.452186 -0.425791 -0.421756 -0.390882 -0.382551 -0.381817 -0.372015 -0.366760 -0.365819 -0.359810 -0.354260 -0.343606 -0.342290 -0.340772 -0.329186 -0.325180 -0.314840 -0.310666 -0.308778 -0.300898 -0.291296 -0.283771 -0.279638 -0.268134 -0.262440 -0.251803 -0.193753 -0.180073 -0.022219 -0.012693 0.037087 0.084432 0.088576 0.096521 0.102612 0.116671 0.116785 0.118308 0.128197 0.134598 0.139681 0.141226 0.143655 0.149215 0.150208 0.158670 0.159906 0.164426 0.169642 0.177068 0.179143 0.180149 0.188383 0.194443 0.201892 0.204516 0.206056 0.215013 0.218068 0.220967 0.227125 0.236419 0.255816 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15.953823 15.956529 15.957529 15.958666 15.955743 15.955718 15.953527 15.956442 15.957450 2.557365 1.507560 1.379445 1.427833 1.448305 1.540902 1.343976 1.470318 1.508101 1.344882 1.583184 1.441814 1.453729 1.350586 1.573227 1.302556 1.059317 1.057000 0.956497 1.130729 1.167469 0.970588 1.090649 0.987604 1.042168 1.094751 1.477085 1.048118 1.190813 1.346465 1.294570 1.113698 1.662466 1.287058 1.249788 1.528760 1.261162 1.350070 1.370522 1.512170 1.270625 1.601003 1.488896 1.588178 1.523680 1.071302 1.365490 1.126197 1.289815 1.149250 1.181838 1.112415 1.024399 1.033352 1.035760 1.239600 1.308773 1.161319 1.008651 0.939084 1.036283 1.177031 1.304804 0.961236 1.096416 1.178829 1.265048 0.930640 1.285326 1.160265 1.202326 1.447363 1.083518 1.495031 1.411063 1.245599 1.537501 1.355349 1.339925 1.382068 1.559755 1.137333 1.390657 1.217094 1.629741 1.366603 1.911369 1.365916 1.672739 1.176589 1.856765 1.898065 1.132539 2.106445 1.808731 2.235332 2.148071 2.371151 2.030105 2.268062 2.288582 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1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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|36 H 1S|2S|37 H 1S|2S 1.13228 0.85944 0.94274 0.91211 1.13260 1.01741 1.31036 0.32108 0.27773 0.53358 1.17431 0.81386 0.73914 0.44718 0.88065 0.90623 0.81933 -0.14638 -0.12978 0.24614 1.17434 0.81382 0.74559 0.46806 0.89206 0.91038 0.79552 -0.14375 -0.13223 0.23154 1.17430 0.81405 0.71347 0.64517 0.88679 0.89086 0.84458 0.16870 0.12385 0.03134 1.17431 0.81405 0.71770 0.64000 0.87326 0.89017 0.85594 0.13176 0.06808 0.03844 1.17444 0.81362 0.76244 0.42929 0.96943 0.73754 0.82147 0.09550 0.03542 0.21465 1.17440 0.81389 0.75256 0.42693 0.90434 0.90439 0.76748 -0.05619 -0.26095 0.21446 1.17441 0.81388 0.75291 0.43025 0.90411 0.90793 0.76201 -0.05268 -0.26283 0.21377 1.17435 0.81395 0.74686 0.55089 0.91042 0.92279 0.79378 0.28372 0.25797 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-0.000002501 -0.000005827 -0.000002046 -0.000002459 0.000005796 -0.000004672 -0.000007897 -0.000000728 -0.000007596 -0.000004325 0.000001305 0.000000231 0.000008391 -0.000003724 0.000000196 0.000008200 0.000003428 0.000009977 0.000012819 0.000000013 0.000006956 -0.000003750 0.000003326 0.000006983 -0.000003833 -0.000003146 0.000003330 0.000004836 -0.000000077 -0.000017259 -0.000010005 0.000001254 184.14919999999995 AuxInfo=1/0/N:10,11,12,13,14,15,9,4,5,7,8,2,3,6,1/E:(1,2,3,4)(5,6)(8,9)(10,11)(12,13)/CRV:7.3,10.3,11.3,12.3,13.3,14.3/rA:37OC3C3CCC3C3C3C3CCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s3;s1s2s3;s2;s3;s7s8;s4;s4;s5;s5;s7;s8;s4;s5;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2075 CBGUSER 000198411 EM64L-G09RevD.01 3-Nov-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 105 C1[X(C14H22O)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 184.14919999999995 0 1 AuxInfo=1/0/N:10,11,12,13,14,15,9,4,5,7,8,2,3,6,1/E:(1,2,3,4)(5,6)(8,9)(10,11)(12,13)/CRV:7.3,10.3,11.3,12.3,13.3,14.3/rA:37OC3C3CCC3C3C3C3CCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s3;s1s2s3;s2;s3;s7s8;s4;s4;s5;s5;s7;s8;s4;s5;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-9763.inp" -scrdir="/scratch/" chk=000198411-Freq.chk nprocshared=4 mem=3GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000198411 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 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (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| 0.000041 0.000011 0.001144 0.000392 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.749517e-08 Optimization completed. -- Stationary point found. 1 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1043.8391279322 194 448 194 57 57 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 37 37 37 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 0 184.14919999999995 AuxInfo=1/0/N:10,11,12,13,14,15,9,4,5,7,8,2,3,6,1/E:(1,2,3,4)(5,6)(8,9)(10,11)(12,13)/CRV:7.3,10.3,11.3,12.3,13.3,14.3/rA:37OC3C3CCC3C3C3C3CCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s3;s1s2s3;s2;s3;s7s8;s4;s4;s5;s5;s7;s8;s4;s5;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.470147 0.000000 2.403941 2.514095 0.000000 2.963546 1.538698 3.923063 0.000000 2.839168 3.915785 1.534030 5.171437 0.000000 1.418477 1.425578 1.423349 2.593106 2.582303 0.000000 3.749320 1.426128 2.880255 2.573913 4.414225 2.438804 0.000000 3.702411 2.872174 1.424824 4.410863 2.577274 2.431978 2.482262 0.000000 4.192286 2.448790 2.454097 3.864860 3.870066 2.774638 1.413691 1.415980 0.000000 3.204703 2.591023 4.575226 1.557931 5.623445 3.247982 3.655003 5.231505 4.836837 0.000000 3.204548 2.591022 4.575163 1.557931 5.623332 3.247905 3.655064 5.231504 4.836887 2.586544 0.000000 3.031024 4.531420 2.568529 5.579933 1.554233 3.200542 5.207854 3.651325 4.827341 6.164081 5.599524 0.000000 3.031004 4.531435 2.568529 5.579951 1.554231 3.200542 5.207881 3.651330 4.827361 5.599667 6.163936 2.566950 0.000000 5.051444 2.582873 4.402461 3.017986 5.936462 3.861975 1.523570 3.853822 2.526767 4.075076 4.075195 6.691288 6.691324 0.000000 4.982088 4.393718 2.578191 5.932299 3.023890 3.853865 3.851698 1.522944 2.526656 6.715054 6.715058 4.093609 4.093604 5.045178 0.000000 4.030817 2.130831 4.644922 1.103786 6.018545 3.453565 2.577051 4.840995 3.987160 2.130784 2.130790 6.497941 6.497996 2.413123 6.321190 0.000000 3.917323 4.651678 2.137659 6.030614 1.105806 3.454138 4.861438 2.599233 4.011451 6.548801 6.548709 2.147485 2.147487 6.343686 2.437104 6.782461 0.000000 5.288917 3.437617 3.441029 4.737650 4.742578 3.871392 2.165876 2.167499 1.096757 5.721522 5.721600 5.717914 5.717935 2.697049 2.695782 4.661917 4.686322 0.000000 3.698423 2.797290 4.625934 2.202555 5.720799 3.490585 3.559015 5.103060 4.639777 1.104444 3.542683 6.514193 5.584790 3.899232 6.511136 2.491184 6.544937 5.429842 0.000000 4.130585 3.534134 5.646121 2.199194 6.682902 4.285678 4.508045 6.279710 5.784607 1.105957 2.818693 7.123414 6.638682 4.647952 7.775802 2.435324 7.629399 6.610429 1.791786 0.000000 2.640415 2.970193 4.424251 2.248056 5.206568 3.125987 4.230962 5.337114 5.233734 1.107236 2.916100 5.660468 4.981739 4.932520 6.771872 3.094721 6.207889 6.214168 1.774690 1.779149 0.000000 2.640205 2.970189 4.424176 2.248054 5.206431 3.125896 4.231017 5.337111 5.233782 2.916095 1.107237 4.981616 5.660244 4.932625 6.771874 3.094724 6.207780 6.214244 3.933858 3.236894 2.813659 0.000000 4.130463 3.534134 5.646070 2.199194 6.682807 4.285620 4.508097 6.279710 5.784650 2.818692 1.105957 6.638551 7.123296 4.648058 7.775806 2.435330 7.629320 6.610497 3.820334 2.598791 3.236895 1.779150 0.000000 3.698194 2.797290 4.625829 2.202557 5.720611 3.490465 3.559124 5.103060 4.639866 3.542684 1.104445 5.584520 6.513984 3.899444 6.511144 2.491195 6.544782 5.429982 4.380675 3.820336 3.933863 1.774693 1.791788 0.000000 2.387802 4.285452 2.871998 5.071244 2.201370 2.986538 5.219402 4.149904 5.136986 5.570366 4.909287 1.101974 2.843930 6.652474 4.889352 6.066924 3.077516 6.125974 6.063637 6.447134 4.976587 4.150928 5.882588 5.003436 0.000000 3.924485 5.599785 3.518871 6.626347 2.195211 4.232700 6.265968 4.527314 5.796196 7.103067 6.620116 1.106789 2.792892 7.762552 4.704312 7.570466 2.467735 6.634522 7.431277 8.054687 6.504525 5.924460 7.630135 6.633179 1.792687 0.000000 3.586264 4.623962 2.804567 5.720089 2.207261 3.483955 5.117669 3.580281 4.661824 6.552409 5.620553 1.105891 3.532578 6.526901 3.927974 6.536135 2.503704 5.454792 6.945278 7.485259 6.194621 5.102335 6.680715 5.387502 1.789878 1.790900 0.000000 3.586234 4.623989 2.804569 5.720117 2.207260 3.483955 5.117718 3.580294 4.661861 5.620663 6.552289 3.532580 1.105892 6.526965 3.927970 6.536228 2.503711 5.454833 5.387744 6.680823 5.102377 6.194403 7.485167 6.945124 3.865947 3.799945 4.385017 0.000000 3.924471 5.599798 3.518872 6.626363 2.195209 4.232701 6.265992 4.527318 5.796213 6.620275 7.102909 2.792892 1.106790 7.762584 4.704308 7.570514 2.467736 6.634541 6.633469 7.630283 5.924610 6.504291 8.054554 7.431040 3.173760 2.561507 3.799943 1.790901 0.000000 2.387776 4.285470 2.871999 5.071264 2.201367 2.986539 5.219432 4.149909 5.137006 4.909464 5.570194 2.843928 1.101974 6.652513 4.889349 6.066987 3.077517 6.125996 5.003760 5.882748 4.151088 4.976316 6.446994 6.063396 2.677725 3.173756 3.865944 1.789878 1.792688 0.000000 5.315310 2.930487 4.944253 3.008061 6.453979 4.258940 2.196139 4.523360 3.272690 4.268301 3.689353 6.985319 7.305367 1.106958 5.744183 2.251550 6.926215 3.469804 4.339066 4.666508 5.163722 4.653216 4.140946 3.320362 6.848969 8.083929 6.719172 7.277386 8.361454 7.188843 0.000000 5.315327 2.930499 4.944258 3.008087 6.453992 4.258950 2.196140 4.523349 3.272674 3.689215 4.268433 7.305354 6.985372 1.106960 5.744165 2.251641 6.926223 3.469776 3.320106 4.140832 4.653067 5.163813 4.666642 4.339295 7.188833 8.361447 7.277344 6.719246 8.083981 6.849031 1.781582 0.000000 5.902969 3.482775 4.862726 4.105618 6.367480 4.606449 2.168296 4.007028 2.591095 5.125146 5.125261 7.199290 7.199336 1.103187 4.926818 3.508085 6.598833 2.289088 4.841851 5.712354 5.959323 5.959430 5.712460 4.842060 7.306746 8.237121 6.953533 6.953614 8.237161 7.306794 1.780656 1.780657 0.000000 5.228728 4.932423 2.920167 6.447372 3.008586 4.246041 4.519762 2.192597 3.271590 7.008796 7.329739 4.284995 3.714020 5.743389 1.106396 6.902439 2.266476 3.469067 6.702835 8.099526 6.962315 7.312982 8.380093 7.260984 5.121729 4.720601 4.360028 3.347814 4.210287 4.633333 6.543252 6.296359 5.652424 0.000000 5.228766 4.932424 2.920193 6.447373 3.008628 4.246063 4.519737 2.192596 3.271561 7.329775 7.008797 3.714063 4.285034 5.743350 1.106398 6.902408 2.266518 3.469020 7.261018 8.380121 7.313056 6.962346 8.099523 6.702809 4.633373 4.210332 3.347847 4.360066 4.720642 5.121767 6.296335 6.543209 5.652366 1.779250 0.000000 5.850107 4.856239 3.480777 6.363667 4.111957 4.601151 4.005690 2.169728 2.592042 7.216915 7.216965 5.143576 5.143559 4.927838 1.103423 6.575697 3.531763 2.288703 6.934439 8.236924 7.418070 7.418121 8.236969 6.934529 5.912812 5.772053 4.872645 4.872617 5.772037 5.912796 5.653349 5.653310 4.570954 1.782793 1.782795 0.000000 0.986474 2.504399 3.243469 2.437338 3.823187 1.989150 3.916858 4.416338 4.651275 2.521006 2.520790 3.928488 3.928497 5.010011 5.794579 3.541086 4.894268 5.733506 3.237398 3.311438 1.911219 1.910904 3.311271 3.237113 3.155339 4.807212 4.408317 4.408329 4.807221 3.155350 5.152110 5.152141 5.973729 6.088974 6.088997 6.585978 0.000000 C14H22O 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 0 184.14919999999995 AuxInfo=1/0/N:10,11,12,13,14,15,9,4,5,7,8,2,3,6,1/E:(1,2,3,4)(5,6)(8,9)(10,11)(12,13)/CRV:7.3,10.3,11.3,12.3,13.3,14.3/rA:37OC3C3CCC3C3C3C3CCCCCCHHHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s3;s1s2s3;s2;s3;s7s8;s4;s4;s5;s5;s7;s8;s4;s5;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7764345 0.4764801 0.3418276 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= 9045 NPrTT= 44932 LenC2= 8531 LenP2D= 28094. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 194 RedAO= T EigKep= 2.64D-04 NBF= 194 NBsUse= 194 1.00D-06 EigRej= -1.00D+00 NBFU= 194 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= 192 192 192 192 192 MxSgAt= 37 MxSgA2= 37. 1 Closed 1 0 1 -620.690789336435 -620.815752341693 -0.124963005258 -621.061198022378 -0.245445680685 -621.063018679258 -0.001820656880 -621.069861099090 -0.006842419832 -621.070450923362 -0.000589824271 -621.070470636268 -0.000019712906 -621.070473334774 -0.000002698506 -621.070514234905 -0.000040900131 -621.070514693067 -0.000000458161 -621.070514649176 0.000000043891 -621.070514948266 -0.000000299091 -621.070514957353 -0.000000009087 -621.070514957970 -0.000000000617 -621.070514958062 -0.000000000092 -621.070514958079 -0.000000000017 -621.070514958 16 6.177087871916e+02 -3.530780388391e+03 1.248161958309e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=182739598. IVT= 134188 IEndB= 134188 NGot= 402653184 MDV= 223620927 LenX= 223620927 LenY= 223582850 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= 18915 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= 37. Will process 38 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111 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= 402652616 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=182616119. 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= 18915 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 114 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 111 vectors produced by pass 0 Test12= 7.81D-15 1.00D-09 XBig12= 2.78D+02 9.45D+00. AX will form 111 AO Fock derivatives at one time. 111 vectors produced by pass 1 Test12= 7.81D-15 1.00D-09 XBig12= 7.49D+01 2.18D+00. 111 vectors produced by pass 2 Test12= 7.81D-15 1.00D-09 XBig12= 1.67D-01 5.67D-02. 111 vectors produced by pass 3 Test12= 7.81D-15 1.00D-09 XBig12= 3.65D-05 5.95D-04. 52 vectors produced by pass 4 Test12= 7.81D-15 1.00D-09 XBig12= 6.64D-09 7.13D-06. 3 vectors produced by pass 5 Test12= 7.81D-15 1.00D-09 XBig12= 5.07D-13 6.17D-08. 2 vectors produced by pass 6 Test12= 7.81D-15 1.00D-09 XBig12= 6.15D-16 2.09D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 501 with 114 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 156.97 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 190.838 -0.653 169.247 -0.007 -0.002 110.820 316.475 0.728 314.141 -0.012 -0.003 172.858 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2355S Fri Nov 3 15:44:12 2017 -18.77779 -9.95013 -9.91534 -9.90446 -9.90166 -9.90005 -9.89358 -9.89331 -9.89330 -9.89231 -9.88917 -9.88355 -9.88198 -9.86290 -9.86289 -0.95625 -0.77330 -0.73560 -0.70711 -0.68170 -0.66599 -0.62385 -0.61248 -0.60863 -0.59393 -0.55148 -0.52904 -0.51816 -0.48975 -0.45219 -0.42579 -0.42176 -0.39088 -0.38255 -0.38182 -0.37201 -0.36676 -0.36582 -0.35981 -0.35426 -0.34361 -0.34229 -0.34077 -0.32919 -0.32518 -0.31484 -0.31067 -0.30878 -0.30090 -0.29130 -0.28377 -0.27964 -0.26813 -0.26244 -0.25180 -0.19375 -0.18007 -0.02222 -0.01269 0.03709 0.08443 0.08858 0.09652 0.10261 0.11667 0.11678 0.11831 0.12820 0.13460 0.13968 0.14123 0.14365 0.14921 0.15021 0.15867 0.15991 0.16443 0.16964 0.17707 0.17914 0.18015 0.18838 0.19444 0.20189 0.20452 0.20606 0.21501 0.21807 0.22097 0.22712 0.23642 0.25582 0.25757 0.26857 0.27262 0.27281 0.28216 0.28279 0.28856 0.30419 0.31221 0.31840 0.33042 0.33758 0.34691 0.35629 0.35838 0.36118 0.37010 0.37386 0.38358 0.40296 0.41107 0.41553 0.42243 0.43327 0.44808 0.45038 0.45300 0.46503 0.46597 0.48178 0.49368 0.50265 0.50866 0.51400 0.54101 0.54588 0.56668 0.57738 0.61397 0.62131 0.62414 0.63818 0.67591 0.69251 0.76419 0.76776 0.79151 0.80103 0.84392 0.86025 0.89501 0.90179 0.92616 0.94884 0.97112 0.97580 1.00863 1.01382 1.03518 1.06600 1.07537 1.07874 1.09006 1.09263 1.09626 1.11309 1.12561 1.12932 1.13301 1.14342 1.14463 1.15761 1.16210 1.18354 1.21431 1.21913 1.22719 1.24056 1.27038 1.27267 1.30231 1.33414 1.35136 1.40613 1.45409 1.49098 1.78418 22.34052 22.57028 22.59471 22.60702 22.61904 22.63789 22.64625 22.65020 22.66519 22.68772 22.70648 22.74838 22.75362 22.85185 41.55805 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 O C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.439326 0.249316 0.244669 -0.293139 -0.203702 -0.053785 0.358681 0.356216 -0.734804 -0.694593 -0.694594 -0.724142 -0.724142 -0.867803 -0.864275 0.249412 0.220508 0.231708 0.237877 0.218774 0.201487 0.201478 0.218777 0.237881 0.253432 0.203135 0.211658 0.211657 0.203134 0.253435 0.228384 0.228385 0.238778 0.232164 0.232164 0.232624 0.338573 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 O C C C C C C C C C C C C C C -0.100753 0.249316 0.244669 -0.043727 0.016806 -0.053785 0.358681 0.356216 -0.503096 -0.036455 -0.036458 -0.055918 -0.055917 -0.172256 -0.167324 0.00000 8.10476413e-01 1.44973276e-01 -2.83494557e-05 1.90838015e+02 -6.52804299e-01 1.69247174e+02 -7.03941380e-03 -1.55657373e-03 1.10819911e+02 -0.0009 -0.0008 -0.0007 6.6206 11.0246 19.2345 58.9351 74.4401 76.8989 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 58.7855 74.2578 76.7290 92.5486 163.0628 165.3792 190.3225 193.9896 196.9889 203.9817 210.9024 222.6840 238.5706 241.0983 250.4833 262.4674 270.2835 319.1260 355.8835 360.9033 418.0299 419.8656 434.1830 436.0591 463.8434 543.7441 556.7402 595.2913 599.5043 626.6488 656.8795 789.2294 798.6453 867.8642 878.8712 890.6612 917.0708 917.2007 938.3019 955.4268 959.8822 1014.0855 1018.9369 1036.7479 1039.7198 1045.1917 1078.4800 1104.9775 1115.3323 1118.1972 1138.4473 1167.7011 1210.5755 1238.1416 1247.1851 1312.3990 1312.7353 1317.4219 1327.5601 1344.2862 1365.0163 1381.7188 1387.2724 1391.9387 1399.3861 1403.7262 1405.5691 1409.4839 1460.4663 1465.9294 1470.2770 1474.4605 1476.9355 1478.3164 1478.3865 1482.0851 1483.0313 1485.8192 1491.4971 1495.7733 1501.5375 1570.9736 1623.3241 2969.0965 2973.5271 2974.1170 2974.8069 2976.9525 2977.3631 3011.9496 3024.8419 3042.7747 3049.7190 3056.7650 3061.0423 3065.3242 3069.3754 3078.7798 3079.3083 3079.5863 3082.5097 3099.9069 3105.5112 3117.8697 3610.6105 2.7215 3.5892 2.6362 2.3081 2.6354 1.2115 1.5576 1.1278 2.2942 1.0544 1.5287 1.2422 1.1716 2.6709 2.8369 2.6558 2.4066 2.6536 1.1357 4.1797 4.4221 2.6794 3.6034 3.1266 3.1864 2.7998 5.9263 3.5093 3.0741 3.9182 5.0325 2.6154 5.3397 1.3046 2.5337 2.5785 1.2603 1.1708 2.6095 1.4738 1.3106 2.5523 1.6483 1.7185 1.5170 1.5842 1.8918 1.6195 2.8835 2.7546 2.2265 1.9130 2.0691 1.8456 1.6575 5.1519 1.2759 1.2540 2.0225 1.6505 1.1911 1.2724 1.9176 1.1723 1.5369 1.3904 1.6715 1.2928 1.0437 1.0500 1.3103 1.0561 1.0472 1.0518 1.0888 1.0477 1.0501 1.1451 1.0851 1.4767 1.3308 6.2474 6.5823 1.0381 1.0376 1.0362 1.0361 1.0370 1.0367 1.0816 1.0844 1.0976 1.0975 1.0981 1.0998 1.0989 1.0959 1.0981 1.1000 1.0972 1.0993 1.0990 1.0981 1.0909 1.0648 0.0055 0.0117 0.0091 0.0116 0.0413 0.0195 0.0332 0.0250 0.0525 0.0258 0.0401 0.0363 0.0393 0.0915 0.1049 0.1078 0.1036 0.1592 0.0848 0.3208 0.4553 0.2783 0.4002 0.3503 0.4039 0.4877 1.0823 0.7327 0.6510 0.9065 1.2794 0.9598 2.0067 0.5790 1.1530 1.2052 0.6245 0.5803 1.3536 0.7927 0.7115 1.5464 1.0083 1.0883 0.9662 1.0196 1.2964 1.1651 2.1134 2.0293 1.7002 1.5368 1.7865 1.6669 1.5190 5.2282 1.2954 1.2823 2.1001 1.7574 1.3077 1.4312 2.1743 1.3382 1.7732 1.6142 1.9457 1.5132 1.3117 1.3294 1.6689 1.3528 1.3458 1.3543 1.4020 1.3559 1.3608 1.4894 1.4223 1.9465 1.7678 9.0842 10.2197 5.3917 5.4052 5.4001 5.4022 5.4148 5.4146 5.7811 5.8459 5.9871 6.0142 6.0454 6.0713 6.0837 6.0829 6.1325 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