Gaussian 09 GINC-KIMIK2028 CBGUSER 000028521 EM64L-G09RevD.01 3-May-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 196.15989999999994 0 1 AuxInfo=1/0/N:13,9,10,7,6,5,3,2,11,12,14,15,4,8,16,1/E:(9,10)(11,12)/CRV:9.3,10.3,11.3,12.3,14.3,15.3/rA:40OCCCCCCC3CCC3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;s5;s6;s4;s4;s7;s8;s8;s10;s11;s12;s1s14s15;s2;s2;s3;s3;s4;s5;s5;s6;s6;s7;s7;s9;s9;s9;s10;s10;s11;s12;s13;s13;s13;s14;s15;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-1238.inp" -scrdir="/scratch/" chk=000028521.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 000028521 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 16 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 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 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 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 (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 1 1 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 13 14 14 15 15 16 40 3 4 17 18 5 19 20 8 9 21 6 22 23 7 24 25 10 26 27 11 12 28 29 30 13 31 32 14 33 15 34 35 36 37 16 38 16 39 1.361 0.9726 1.5358 1.5448 1.0982 1.0978 1.5305 1.0959 1.097 1.5187 1.5343 1.0986 1.5328 1.0967 1.0968 1.5321 1.0975 1.0976 1.5287 1.0969 1.0972 1.3811 1.3813 1.0957 1.0954 1.0959 1.5209 1.096 1.0961 1.3948 1.0858 1.3948 1.0854 1.0946 1.0946 1.0945 1.395 1.0869 1.395 1.0866 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 16 3 3 3 4 4 17 2 2 2 5 5 19 2 2 2 8 8 9 3 3 3 6 6 22 5 5 5 7 7 24 6 6 6 10 10 26 4 4 11 4 4 4 28 28 29 7 7 7 13 13 31 8 8 14 8 8 15 10 10 10 35 35 36 11 11 16 12 12 16 1 1 14 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 40 4 17 18 17 18 18 5 19 20 19 20 20 8 9 21 9 21 21 6 22 23 22 23 23 7 24 25 24 25 25 10 26 27 26 27 27 11 12 12 28 29 30 29 30 30 13 31 32 31 32 32 14 33 33 15 34 34 35 36 37 36 37 37 16 38 38 16 39 39 14 15 15 108.9109 115.3788 108.2264 108.4578 108.6349 109.8625 105.849 113.4614 110.0533 108.7471 108.2005 109.4116 106.7512 113.5262 109.7156 107.1323 110.3364 108.8223 107.0523 113.253 109.3002 109.2394 108.8453 109.181 106.8197 115.7704 108.7524 108.4334 108.6075 108.555 106.3204 113.4772 109.089 108.6465 109.4554 109.2294 106.7198 119.004 119.0048 121.9913 110.4739 112.2827 110.9779 107.5077 107.6358 107.7717 111.4321 109.7552 109.8091 109.4618 109.044 107.2414 119.0015 121.6641 119.3344 119.0119 122.064 118.9242 111.0304 110.9815 110.2398 108.3253 108.0692 108.0886 120.0081 119.2801 120.7117 119.9929 119.6789 120.3282 119.9779 120.0278 119.9942 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 40 40 4 4 4 17 17 17 18 18 18 3 3 3 17 17 17 18 18 18 2 2 2 19 19 19 20 20 20 2 2 9 9 21 21 2 2 2 8 8 8 21 21 21 3 3 3 22 22 22 23 23 23 5 5 5 24 24 24 25 25 25 6 6 6 26 26 26 27 27 27 4 4 12 12 4 4 11 11 7 7 7 31 31 31 32 32 32 8 8 33 33 8 8 34 34 11 11 38 38 12 12 39 39 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 14 14 14 14 15 15 15 15 16 16 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 16 14 15 5 19 20 5 19 20 5 19 20 8 9 21 8 9 21 8 9 21 6 22 23 6 22 23 6 22 23 11 12 11 12 11 12 28 29 30 28 29 30 28 29 30 7 24 25 7 24 25 7 24 25 10 26 27 10 26 27 10 26 27 13 31 32 13 31 32 13 31 32 14 33 14 33 15 34 15 34 35 36 37 35 36 37 35 36 37 16 38 16 38 16 39 16 39 1 15 1 15 1 14 1 14 0.0223 179.9968 -176.5425 -55.1503 61.4584 61.5493 -177.0585 -60.4498 -52.8463 68.5459 -174.8454 57.5648 -178.4724 -62.5957 179.2535 -56.7837 59.093 -65.389 58.5738 174.4505 -176.5556 -55.0229 61.5253 61.0201 -177.4471 -60.899 -54.927 66.6057 -176.8461 -120.1316 59.8819 116.2437 -63.7428 -0.9333 179.0802 60.1068 -59.8952 179.415 -174.088 65.91 -54.7798 -55.8205 -175.8226 63.4876 -179.1086 58.3376 -56.8744 59.1036 -63.4502 -178.6622 -57.1568 -179.7106 65.0774 177.6595 -60.0256 55.9555 -59.7101 62.6049 178.5859 55.4898 177.8048 -66.2141 -176.3144 62.2669 -55.3854 61.574 -59.8448 -177.4971 -54.9362 -176.355 65.9928 -179.9785 0.0335 0.0076 -179.9804 179.9887 -0.0377 0.0026 179.9762 60.4595 -60.0854 -179.8093 -177.9512 61.5039 -58.22 -60.9159 178.5392 58.8153 -0.0177 -179.9976 179.9706 -0.0094 -0.0027 179.9938 -179.9772 0.0193 179.9922 0.0177 -0.0281 179.9974 -179.9819 -0.0074 0.0216 179.9962 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 227 240 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 40 40 40 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= 10440 NPrTT= 51768 LenC2= 8999 LenP2D= 28636. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 208 RedAO= T EigKep= 5.73D-04 NBF= 208 NBsUse= 208 1.00D-06 EigRej= -1.00D+00 NBFU= 208 Using GEDIIS/GDIIS optimizer. local minimum Step number 6 out of a maximum of 227 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00252 0.00291 0.00299 0.00321 0.00342 0.00345 0.00386 0.00473 0.00518 0.01576 0.02155 0.02156 0.02156 0.02165 0.02195 0.02208 0.02245 0.02257 0.02318 0.03372 0.03432 0.03452 0.03460 0.03514 0.03554 0.03860 0.04723 0.04774 0.04798 0.04805 0.04810 0.04855 0.04946 0.05452 0.05515 0.05532 0.05610 0.05705 0.08372 0.08437 0.08447 0.08456 0.08471 0.08597 0.12187 0.12268 0.12287 0.12298 0.12334 0.12453 0.14970 0.15393 0.16000 0.16000 0.16000 0.16000 0.16000 0.16009 0.16019 0.16100 0.16773 0.17102 0.18317 0.20459 0.21602 0.21908 0.21945 0.21976 0.22116 0.22249 0.22629 0.23719 0.24775 0.25041 0.28260 0.29056 0.29180 0.29213 0.29300 0.29409 0.29596 0.30317 0.31226 0.33817 0.33927 0.33942 0.33965 0.33999 0.34008 0.34028 0.34036 0.34073 0.34084 0.34097 0.34128 0.34164 0.34197 0.34247 0.34279 0.34285 0.34323 0.34938 0.35129 0.35224 0.35328 0.35992 0.42114 0.42442 0.44197 0.45534 0.47850 0.49299 0.51365 0.53016 RFO step: Lambda=-3.29717380D-08. 1 2 0.00091392 0.00000054 0.00000035 0.00000004 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 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 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 2.66293 1.86939 2.91812 2.94151 2.09747 2.09742 2.92016 2.09452 2.09903 2.89430 2.93352 2.09832 2.92020 2.09877 2.09828 2.92028 2.09837 2.09793 2.92119 2.09848 2.09824 2.67570 2.68712 2.09039 2.09050 2.08789 2.91789 2.09640 2.09629 2.67220 2.07295 2.66084 2.07245 2.09101 2.09116 2.08944 2.67194 2.07538 2.67239 2.06784 1.93134 1.99158 1.90637 1.90869 1.89233 1.90625 1.85355 1.97215 1.90972 1.90639 1.90966 1.90653 1.85575 1.96265 1.93133 1.87140 1.94022 1.87612 1.87792 1.97758 1.90956 1.90564 1.90701 1.90631 1.85365 1.97864 1.90728 1.90612 1.90679 1.90720 1.85365 1.97838 1.90833 1.90786 1.90583 1.90581 1.85347 2.11402 2.11592 2.05319 1.93273 1.93796 1.94045 1.88023 1.89135 1.87889 1.97250 1.90484 1.90449 1.91225 1.91201 1.85398 2.12290 2.08213 2.07816 2.12325 2.08967 2.07027 1.93654 1.93673 1.94744 1.87748 1.88144 1.88142 2.08429 2.09628 2.10261 2.08619 2.12229 2.07471 2.14732 2.03932 2.09655 0.00016 -3.14086 3.13857 -1.01226 1.01262 1.01771 -3.13313 -1.10825 -1.00395 1.12840 -3.12990 1.10482 -2.99701 -0.95371 -3.04976 -0.86841 1.17490 -1.03717 1.14418 -3.09570 -3.13329 -1.00075 1.02110 1.01751 -3.13313 -1.11128 -1.00742 1.12513 -3.13621 -2.09887 1.05384 2.00784 -1.12263 -0.04314 3.10958 1.01727 -1.07077 3.12096 -3.07190 1.12324 -0.96822 -1.02202 -3.11006 1.08167 -3.13973 1.01213 -1.00872 1.00949 -1.12184 3.14050 -1.01132 3.14054 1.11969 3.14126 -1.01124 1.01095 -1.01032 1.12036 -3.14064 1.01085 3.14153 -1.11946 3.13981 1.00743 -1.01155 1.00774 -1.12465 3.13956 -1.01192 3.13888 1.11990 -3.13050 0.01209 0.00036 -3.14024 3.13153 -0.01094 0.00068 3.14140 1.04287 -1.04340 3.14128 -3.11208 1.08482 -1.01368 -1.08472 3.11218 1.01368 -0.00083 -3.14101 3.13976 -0.00041 -0.00122 3.14114 3.14124 0.00041 -3.14071 0.00029 -0.00055 3.14046 -3.14143 0.00072 -0.00058 3.14156 0.00000 0.00002 0.00000 -0.00003 0.00003 0.00001 0.00001 0.00000 0.00001 0.00004 -0.00001 0.00000 0.00002 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 0.00000 0.00002 0.00000 0.00001 0.00002 0.00001 0.00000 0.00004 -0.00001 0.00002 0.00000 0.00001 0.00001 0.00002 -0.00001 0.00001 0.00001 0.00000 0.00003 0.00003 -0.00001 -0.00001 -0.00002 -0.00002 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00002 0.00001 0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00002 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 0.00002 -0.00002 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 -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 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 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0.00027 0.00024 0.00024 0.00029 0.00026 -0.00012 -0.00016 0.00007 0.00003 0.00013 0.00009 -0.00007 -0.00010 -0.00060 -0.00060 -0.00060 -0.00063 -0.00063 -0.00063 -0.00061 -0.00061 -0.00061 -0.00004 -0.00005 0.00000 -0.00001 0.00003 0.00002 0.00007 0.00005 0.00001 0.00000 0.00003 0.00001 -0.00001 0.00001 0.00000 0.00002 0.00002 0.00002 0.00003 -0.00009 0.00008 0.00001 0.00000 0.00000 0.00002 0.00014 -0.00003 0.00000 0.00004 0.00000 0.00003 0.00004 0.00003 0.00004 0.00002 0.00001 0.00002 -0.00007 -0.00001 0.00006 0.00000 0.00003 0.00006 0.00001 0.00000 0.00012 -0.00004 0.00005 -0.00003 0.00003 0.00001 0.00004 -0.00004 0.00004 0.00001 0.00002 0.00016 0.00014 -0.00001 -0.00001 -0.00010 -0.00007 0.00004 -0.00002 0.00003 -0.00007 -0.00003 0.00007 0.00002 0.00005 -0.00008 -0.00005 0.00008 0.00006 -0.00006 -0.00009 0.00004 0.00005 0.00002 0.00001 -0.00003 0.00005 0.00001 -0.00003 0.00000 -0.00001 -0.00002 -0.00002 0.00003 0.00000 -0.00001 -0.00001 0.00001 0.00006 -0.00014 0.00008 0.00007 0.00002 0.00001 -0.00005 -0.00008 0.00002 0.00000 0.00000 0.00000 -0.00004 -0.00001 0.00005 -0.00005 0.00015 -0.00010 -0.00006 0.00002 0.00005 -0.00004 0.00004 0.00002 0.00003 -0.00001 -0.00004 0.00001 -0.00006 0.00004 0.00003 0.00000 -0.00003 -0.00002 0.00003 -0.00001 -0.00001 0.00000 -0.00004 -0.00006 -0.00007 0.00001 -0.00002 -0.00002 -0.00003 -0.00006 -0.00006 0.00000 0.00008 -0.00007 0.00000 0.00008 -0.00007 -0.00004 0.00004 -0.00011 -0.00086 -0.00087 -0.00085 -0.00086 -0.00087 -0.00085 -0.00091 -0.00092 -0.00090 0.00039 0.00017 0.00039 0.00017 0.00039 0.00017 0.00014 0.00014 0.00009 0.00020 0.00020 0.00015 0.00028 0.00028 0.00023 0.00018 0.00014 0.00018 0.00018 0.00014 0.00018 0.00019 0.00015 0.00019 -0.00058 -0.00059 -0.00056 -0.00054 -0.00054 -0.00051 -0.00057 -0.00058 -0.00055 0.00041 0.00045 0.00039 0.00039 0.00043 0.00037 0.00039 0.00043 0.00037 -0.00015 -0.00020 0.00006 0.00001 0.00016 0.00012 -0.00005 -0.00009 -0.00067 -0.00071 -0.00070 -0.00070 -0.00073 -0.00073 -0.00067 -0.00070 -0.00069 -0.00004 -0.00005 0.00001 0.00000 0.00002 0.00001 0.00007 0.00005 0.00002 0.00001 0.00003 0.00002 -0.00001 0.00000 0.00001 0.00001 2.66295 1.86941 2.91815 2.94142 2.09755 2.09744 2.92016 2.09452 2.09905 2.89444 2.93349 2.09832 2.92024 2.09877 2.09831 2.92033 2.09840 2.09797 2.92121 2.09849 2.09826 2.67563 2.68711 2.09045 2.09050 2.08792 2.91795 2.09640 2.09629 2.67232 2.07291 2.66089 2.07242 2.09104 2.09117 2.08948 2.67190 2.07541 2.67240 2.06785 1.93150 1.99172 1.90635 1.90868 1.89223 1.90619 1.85360 1.97213 1.90975 1.90632 1.90963 1.90661 1.85577 1.96270 1.93125 1.87135 1.94030 1.87618 1.87785 1.97748 1.90960 1.90569 1.90703 1.90632 1.85363 1.97869 1.90730 1.90609 1.90678 1.90719 1.85363 1.97836 1.90836 1.90786 1.90581 1.90580 1.85348 2.11408 2.11578 2.05328 1.93280 1.93799 1.94046 1.88019 1.89126 1.87891 1.97250 1.90484 1.90448 1.91222 1.91199 1.85403 2.12285 2.08228 2.07805 2.12318 2.08969 2.07031 1.93650 1.93677 1.94746 1.87751 1.88143 1.88138 2.08430 2.09623 2.10265 2.08623 2.12228 2.07468 2.14730 2.03935 2.09653 0.00015 -3.14087 3.13854 -1.01233 1.01255 1.01772 -3.13315 -1.10827 -1.00398 1.12834 -3.12996 1.10482 -2.99694 -0.95378 -3.04976 -0.86833 1.17483 -1.03721 1.14422 -3.09580 -3.13415 -1.00161 1.02025 1.01665 -3.13400 -1.11213 -1.00833 1.12421 -3.13711 -2.09849 1.05401 2.00823 -1.12245 -0.04275 3.10975 1.01742 -1.07063 3.12105 -3.07170 1.12344 -0.96807 -1.02173 -3.10977 1.08190 -3.13955 1.01227 -1.00854 1.00967 -1.12170 3.14068 -1.01113 3.14070 1.11988 3.14068 -1.01183 1.01039 -1.01086 1.11981 -3.14115 1.01028 3.14096 -1.12001 3.14022 1.00788 -1.01116 1.00813 -1.12421 3.13993 -1.01153 3.13931 1.12027 -3.13065 0.01190 0.00041 -3.14022 3.13169 -0.01082 0.00063 3.14131 1.04220 -1.04411 3.14057 -3.11278 1.08409 -1.01441 -1.08539 3.11148 1.01299 -0.00087 -3.14106 3.13976 -0.00042 -0.00120 3.14115 3.14130 0.00046 -3.14070 0.00030 -0.00052 3.14048 -3.14144 0.00072 -0.00058 3.14158 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000038 0.000008 0.004490 0.000914 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -5.980870e-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 1 1 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 13 14 14 15 15 16 40 3 4 17 18 5 19 20 8 9 21 6 22 23 7 24 25 10 26 27 11 12 28 29 30 13 31 32 14 33 15 34 35 36 37 16 38 16 39 1.4092 0.9892 1.5442 1.5566 1.1099 1.1099 1.5453 1.1084 1.1108 1.5316 1.5524 1.1104 1.5453 1.1106 1.1104 1.5453 1.1104 1.1102 1.5458 1.1105 1.1103 1.4159 1.422 1.1062 1.1062 1.1049 1.5441 1.1094 1.1093 1.4141 1.097 1.4081 1.0967 1.1065 1.1066 1.1057 1.4139 1.0982 1.4142 1.0943 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 16 3 3 3 4 4 17 2 2 2 5 5 19 2 2 2 8 8 9 3 3 3 6 6 22 5 5 5 7 7 24 6 6 6 10 10 26 4 4 11 4 4 4 28 28 29 7 7 7 13 13 31 8 8 14 8 8 15 10 10 10 35 35 36 11 11 16 12 12 16 1 1 14 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 40 4 17 18 17 18 18 5 19 20 19 20 20 8 9 21 9 21 21 6 22 23 22 23 23 7 24 25 24 25 25 10 26 27 26 27 27 11 12 12 28 29 30 29 30 30 13 31 32 31 32 32 14 33 33 15 34 34 35 36 37 36 37 37 16 38 38 16 39 39 14 15 15 110.6576 114.1089 109.2268 109.3599 108.4226 109.2203 106.2007 112.996 109.4189 109.2282 109.4153 109.2364 106.3269 112.4517 110.6568 107.2232 111.1662 107.4938 107.5966 113.3069 109.4095 109.185 109.2637 109.2234 106.2065 113.3675 109.2793 109.2127 109.2508 109.2746 106.2063 113.353 109.3391 109.3121 109.196 109.1949 106.1962 121.1243 121.2334 117.6394 110.7372 111.0372 111.1797 107.7294 108.3661 107.6526 113.0158 109.139 109.119 109.5641 109.5499 106.2252 121.633 119.2975 119.0695 121.6532 119.7293 118.6175 110.9555 110.9663 111.58 107.5716 107.7984 107.7973 119.421 120.1082 120.4708 119.5302 121.598 118.8719 123.0325 116.8442 120.1233 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 40 40 4 4 4 17 17 17 18 18 18 3 3 3 17 17 17 18 18 18 2 2 2 19 19 19 20 20 20 2 2 9 9 21 21 2 2 2 8 8 8 21 21 21 3 3 3 22 22 22 23 23 23 5 5 5 24 24 24 25 25 25 6 6 6 26 26 26 27 27 27 4 4 12 12 4 4 11 11 7 7 7 31 31 31 32 32 32 8 8 33 33 8 8 34 34 11 11 38 38 12 12 39 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 14 14 14 14 15 15 15 16 16 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 16 14 15 5 19 20 5 19 20 5 19 20 8 9 21 8 9 21 8 9 21 6 22 23 6 22 23 6 22 23 11 12 11 12 11 12 28 29 30 28 29 30 28 29 30 7 24 25 7 24 25 7 24 25 10 26 27 10 26 27 10 26 27 13 31 32 13 31 32 13 31 32 14 33 14 33 15 34 15 34 35 36 37 35 36 37 35 36 37 16 38 16 38 16 39 16 39 1 15 1 15 1 14 1 0.009 -179.9581 179.8271 -57.9984 58.0188 58.3102 -179.5152 -63.498 -57.5221 64.6525 -179.3303 63.3016 -171.7163 -54.6434 -174.7383 -49.7562 67.3167 -59.4254 65.5568 -177.3704 -179.5244 -57.3385 58.5049 58.299 -179.5151 -63.6717 -57.7207 64.4651 -179.6915 -120.2566 60.3806 115.0409 -64.3219 -2.4715 178.1657 58.2855 -61.3504 178.8176 -176.0071 64.357 -55.475 -58.5571 -178.1931 61.9749 -179.8936 57.9906 -57.7956 57.8394 -64.2764 179.9373 -57.9443 179.9399 64.1536 179.9811 -57.9399 57.9231 -57.8873 64.1918 -179.9452 57.9176 179.9967 -64.1403 179.8981 57.7213 -57.9578 57.7393 -64.4375 179.8834 -57.9787 179.8445 64.1654 -179.3646 0.6928 0.0203 -179.9222 179.4232 -0.6266 0.0389 179.9892 59.7523 -59.7826 179.9818 -178.3093 62.1558 -58.0798 -62.1501 178.3151 58.0795 -0.0478 -179.9665 179.895 -0.0238 -0.0697 179.9741 179.9795 0.0234 -179.9497 0.0164 -0.0313 179.9349 -179.9908 0.041 -0.0335 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 196.15989999999994 AuxInfo=1/0/N:13,9,10,7,6,5,3,2,11,12,14,15,4,8,16,1/E:(9,10)(11,12)/CRV:9.3,10.3,11.3,12.3,14.3,15.3/rA:40OCCCCCCC3CCC3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;s5;s6;s4;s4;s7;s8;s8;s10;s11;s12;s1s14s15;s2;s2;s3;s3;s4;s5;s5;s6;s6;s7;s7;s9;s9;s9;s10;s10;s11;s12;s13;s13;s13;s14;s15;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.416954 0.000000 6.390422 1.535795 0.000000 5.641801 1.544754 2.603571 0.000000 7.496083 2.563708 1.530466 3.963725 0.000000 7.946668 3.933838 2.558117 5.161557 1.532771 0.000000 9.215162 5.158854 3.951956 6.519454 2.595903 1.532104 0.000000 4.123105 2.562344 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5.459712 5.158279 4.447996 4.787282 7.010503 3.134821 2.583777 3.096173 2.536183 1.775904 0.000000 7.580566 2.797006 4.200812 2.202158 5.209018 6.604094 7.732333 3.506203 1.106187 9.107491 4.505105 4.203401 10.278749 5.780275 5.541524 6.211129 2.473956 3.202672 4.789192 4.335351 2.499048 5.039783 5.441853 6.688890 6.995681 7.620922 7.891961 0.000000 6.430831 2.826365 4.308541 2.206011 5.310184 6.743232 7.860351 2.844658 1.106243 9.259272 4.102988 2.944592 10.420342 5.107123 4.219941 5.149660 3.034276 2.656906 4.578054 4.806351 3.097230 5.416971 5.223104 7.070582 6.922003 7.934545 7.802857 1.786817 0.000000 6.330094 3.526539 4.789652 2.206774 6.084373 7.363984 8.659619 2.776003 1.104862 9.943495 3.522326 3.455909 11.232677 4.608059 4.553653 5.036751 3.727617 3.845149 5.006455 4.921072 2.527512 6.201137 6.273706 7.449305 7.509087 8.743533 8.794801 1.792919 1.784873 0.000000 10.452091 6.681916 5.279344 7.842788 4.250705 2.807878 2.178249 8.210975 9.159294 1.109365 8.442307 8.702275 2.182219 9.120236 9.359977 9.556332 6.800598 7.032908 5.463341 5.159582 7.709094 4.444465 4.784781 2.579136 3.130885 2.534525 3.093512 9.165791 9.496662 10.003112 0.000000 9.600442 6.685291 5.279922 7.846716 4.251368 2.809390 2.177947 7.936331 9.205204 1.109309 8.190547 8.168879 2.181993 8.652668 8.629008 8.861368 7.033709 6.810800 5.167109 5.456694 7.908917 4.785806 4.443098 3.133062 2.581472 3.093399 2.532260 9.393447 9.388226 10.049731 1.774532 0.000000 4.645471 3.903762 3.931755 2.767219 5.456696 6.060349 7.596853 2.174454 3.831782 8.445991 1.096957 3.425877 9.946195 2.170307 3.915206 3.431575 4.643273 4.577140 3.562091 3.663637 2.335682 6.013703 5.948948 5.891269 5.825899 8.007283 7.959172 4.541831 4.563798 3.677218 8.321532 8.278435 0.000000 4.563976 3.019036 3.902164 2.783044 4.818639 6.006268 7.122628 2.184354 3.066088 8.382138 3.427517 1.096694 9.564943 3.914357 2.159766 3.424728 3.882158 2.383609 3.592111 4.723059 3.839357 5.393889 4.442445 6.569431 5.812911 7.525287 6.875056 3.996408 2.501855 3.566108 8.790512 8.242657 4.340826 0.000000 11.471126 7.856555 6.723819 9.258232 5.317896 4.284408 2.843219 9.550975 10.399024 2.197878 10.086544 9.617248 1.106516 10.647843 10.196696 10.697408 7.978470 7.775591 6.849261 7.072386 9.465374 5.496080 5.201094 4.814485 4.474935 3.163288 2.617323 10.440223 10.418316 11.376826 3.108369 2.547965 10.257910 9.420766 0.000000 12.197538 7.853989 6.723711 9.255242 5.317657 4.283727 2.843655 9.782168 10.358490 2.198075 10.293701 10.077372 1.106595 11.033916 10.826422 11.283725 7.772750 7.972351 7.077159 6.844701 9.298395 5.199933 5.497879 4.471980 4.815201 2.615766 3.166733 10.234910 10.517052 11.335766 2.548450 3.108354 10.293360 9.906905 1.785569 0.000000 12.118091 8.666930 7.361751 9.962330 6.099882 4.781807 3.540616 10.253311 11.215076 2.205127 10.587357 10.504888 1.105683 11.138343 11.055899 11.361896 8.781775 8.783846 7.469695 7.463326 9.985090 6.266496 6.266850 4.938921 4.940272 3.819223 3.820358 11.233762 11.388431 12.130654 2.531022 2.530772 10.605894 10.461199 1.787416 1.787468 0.000000 2.749052 5.761019 5.633363 4.749564 7.011247 7.382775 8.864632 3.460894 5.686571 9.518207 2.182610 3.915997 11.013912 1.098243 3.448655 2.186373 6.709421 6.096319 4.844326 5.611883 4.690126 7.813488 7.276894 7.368641 6.798260 9.512642 9.077725 6.617707 6.094440 5.396251 9.503152 9.071639 2.497977 5.012598 11.214508 11.568930 11.560288 0.000000 2.596145 5.206216 5.615391 4.762617 6.529556 7.340048 8.463387 3.468426 5.206348 9.462506 3.912397 2.189658 10.671882 3.433874 1.094253 2.166021 6.211897 4.682746 4.867435 6.357409 5.597033 7.350768 6.109295 7.923353 6.787391 9.113248 8.145050 6.261599 4.755750 5.325699 9.917718 9.038852 5.009263 2.506857 10.454843 11.228313 11.428294 4.341882 0.000000 0.989239 7.075246 7.009386 6.243786 8.185799 8.540486 9.872040 4.730136 7.017817 10.490685 3.943857 4.420689 11.883369 2.542209 3.244861 1.986931 8.130309 7.057052 6.056531 7.291186 6.526811 9.114113 8.155881 8.775656 7.776974 10.655298 9.848846 8.076892 7.077258 6.769272 10.678885 9.878258 4.662629 5.370112 11.890868 12.568360 12.408032 2.387752 3.567534 0.000000 0.7248430 0.1694929 0.1470921 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= 201 201 201 201 201 MxSgAt= 40 MxSgA2= 40. 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 40 40 40 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 40 40 40 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 40 40 40 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 40 40 40 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 40 40 40 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= 10440 NPrTT= 51768 LenC2= 8928 LenP2D= 28325. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 208 RedAO= T EigKep= 6.55D-04 NBF= 208 NBsUse= 208 1.00D-06 EigRej= -1.00D+00 NBFU= 208 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= 201 201 201 201 201 MxSgAt= 40 MxSgA2= 40. 1 Closed 1 0 1 -659.875432620942 -660.014517929214 -0.139085308272 -660.284614505657 -0.270096576443 -660.287049938761 -0.002435433105 -660.302147604153 -0.015097665392 -660.302514130125 -0.000366525971 -660.302529889937 -0.000015759812 -660.302534303526 -0.000004413589 -660.302465685009 0.000068618517 -660.302465861492 -0.000000176483 -660.302465948629 -0.000000087137 -660.302466105144 -0.000000156515 -660.302466111287 -0.000000006142 -660.302466111481 -0.000000000195 -660.302466111529 -0.000000000047 -660.302466111539 -0.000000000010 -660.302466112 16 6.577226784017e+02 -3.628159997044e+03 1.263363247088e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=240953194. IVT= 150918 IEndB= 150918 NGot= 939524096 MDV= 703135463 LenX= 703135463 LenY= 703091758 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= 21736 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -4.13562424e-02 1.24439907e-01 6.58563402e-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 8 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 0.012500890 -0.025497069 -0.019587306 -0.003771786 -0.004171090 0.000753079 0.002086068 0.000337968 -0.000463295 -0.003217914 0.003807778 -0.003538750 -0.003831681 0.001152191 0.000938305 0.001530571 -0.001572908 0.002071572 0.007543077 0.001803093 0.000447623 -0.025134035 0.040499482 0.008573511 0.002402654 0.005351813 0.002449312 0.001738490 0.002777195 -0.002651353 0.007608707 -0.012397631 0.010678359 0.007301066 -0.014840375 -0.013316345 -0.004980057 -0.003250803 0.001870680 0.000527938 0.001350982 0.013115641 0.000676848 -0.003512409 -0.018447771 -0.007149735 0.013836481 0.004920957 -0.001831997 0.007570989 0.000643917 0.002039237 -0.000871895 -0.008104470 0.004962632 -0.006659141 0.000317218 -0.001066547 0.000314447 0.008741822 -0.000269861 -0.000479953 0.007391097 -0.003483611 0.008474607 -0.001056861 0.000736540 -0.000901960 -0.008528387 -0.000068796 0.001176872 0.008521074 0.003436601 -0.007844136 0.000715042 -0.004529319 0.007258213 -0.000531016 -0.000503718 -0.001344067 -0.008414881 -0.002987635 0.006848721 0.000437350 0.000108277 -0.001905505 -0.006518992 0.006018469 0.000121651 0.001584661 0.000233509 0.001099010 0.008194676 0.004905959 -0.006480588 0.001144739 -0.002147962 0.004143882 0.004622774 -0.002792552 0.004212258 -0.003867663 0.000083550 -0.001447996 -0.007166438 -0.004219072 0.006120484 -0.000753671 -0.006491482 -0.004673165 0.001542003 0.003474740 -0.005605674 0.006046805 0.002497165 -0.005047565 -0.003780822 0.006064773 -0.009754189 0.011005801 0.040499482 0.007673255 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -660.314929101467 -660.314965981941 -0.000036880475 -660.314965967118 0.000000014824 -660.314966018596 -0.000000051478 -660.314966024412 -0.000000005817 -660.314966025896 -0.000000001484 -660.314966025909 -0.000000000013 -660.314966025929 -0.000000000019 -660.314966026 8 6.566855807301e+02 -3.595362032453e+03 1.247617957372e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=240953194. IVT= 150918 IEndB= 150918 NGot= 939524096 MDV= 703135463 LenX= 703135463 LenY= 703091758 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= 21736 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 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 -18.789073 -9.963624 -9.906577 -9.903687 -9.903192 -9.902154 -9.901556 -9.900105 -9.885240 -9.883539 -9.881203 -9.880704 -9.880533 -9.880017 -9.879519 -9.875647 -0.965681 -0.775601 -0.730357 -0.715397 -0.687633 -0.675525 -0.655996 -0.639674 -0.596552 -0.569087 -0.551225 -0.538125 -0.509821 -0.506819 -0.502218 -0.489224 -0.430141 -0.418995 -0.416365 -0.398888 -0.388793 -0.377290 -0.376671 -0.372703 -0.360164 -0.358235 -0.348265 -0.347293 -0.346312 -0.326665 -0.321830 -0.316591 -0.302362 -0.297638 -0.291064 -0.289613 -0.278931 -0.278040 -0.275594 -0.270555 -0.269525 -0.266600 -0.251909 -0.224551 -0.188794 -0.036851 -0.020781 0.034492 0.083523 0.088753 0.094286 0.096869 0.100565 0.101915 0.106865 0.119929 0.126617 0.136949 0.145371 0.148838 0.150502 0.154297 0.158646 0.160545 0.165808 0.170843 0.173665 0.175325 0.182120 0.186687 0.188518 0.190634 0.201475 0.203712 0.204267 0.210416 0.218190 0.226638 0.228623 0.234420 0.242336 0.249379 0.253669 0.264309 0.269247 0.277710 0.284049 0.288267 0.289488 0.304918 0.308487 0.313031 0.315865 0.323655 0.331651 0.335501 0.343935 0.346169 0.350881 0.360926 0.369892 0.374327 0.383355 0.387732 0.398154 0.406225 0.408267 0.416861 0.424604 0.428227 0.442128 0.452914 0.464985 0.469055 0.478320 0.485686 0.497498 0.503802 0.506289 0.517040 0.527252 0.534006 0.543168 0.562279 0.574322 0.579644 0.612568 0.628664 0.655001 0.688982 0.703442 0.707505 0.725609 0.740916 0.769021 0.835949 0.850799 0.861733 0.888598 0.899404 0.912544 0.928111 0.954377 0.961589 0.973381 0.987255 0.991170 1.001650 1.017437 1.028104 1.042625 1.048115 1.057051 1.064683 1.087872 1.088008 1.109674 1.116861 1.126955 1.136812 1.163211 1.175136 1.179302 1.187921 1.191709 1.217663 1.223390 1.239363 1.262173 1.306341 1.359778 1.373894 1.432084 1.482248 1.554661 1.723597 22.312403 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0.75302 0.40542 0.80532 0.86995 0.90670 0.11894 -0.06279 -0.33388 1.17427 0.81428 0.72513 0.70316 0.90745 0.88176 0.90925 0.21818 0.17642 0.21812 1.17431 0.81428 0.72452 0.60682 0.86014 0.89459 0.89383 0.05878 0.16506 0.16437 1.17441 0.81404 0.75266 0.54842 0.80161 0.87305 0.93308 0.21309 0.14894 0.17750 1.17438 0.81403 0.75075 0.54744 0.80192 0.87889 0.93219 0.20917 0.13448 0.14059 1.17427 0.81436 0.72500 0.68399 0.87683 0.91559 0.90589 0.15696 0.23083 0.21305 1.17433 0.81415 0.74367 0.53267 0.83764 0.89172 0.90400 0.24247 0.17100 0.07306 1.17434 0.81410 0.74830 0.54890 0.81992 0.88512 0.92380 0.20171 0.11538 0.13387 1.17448 0.81405 0.77516 0.32656 0.79535 0.76887 0.95977 0.14395 0.03812 -0.07145 0.51391 0.29223 0.51456 0.28973 0.51302 0.27117 0.51348 0.30332 0.51746 0.28029 0.51375 0.29879 0.51363 0.29505 0.51374 0.29822 0.51349 0.29415 0.51356 0.29974 0.51355 0.29824 0.51133 0.27671 0.51153 0.27726 0.51082 0.26224 0.51422 0.29154 0.51415 0.29036 0.51647 0.25219 0.51691 0.25281 0.51097 0.27913 0.51097 0.27976 0.51146 0.27387 0.51365 0.27030 0.51180 0.24133 0.48558 0.16317 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 O 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 -0.437008 -0.410342 -0.373924 -0.222512 -0.373193 -0.375755 -0.353442 0.548921 -0.728009 -0.356702 -0.436810 -0.383845 -0.696768 -0.384700 -0.365443 0.275145 0.193865 0.195711 0.215815 0.183194 0.202247 0.187460 0.191322 0.188042 0.192356 0.186694 0.188210 0.211960 0.211203 0.226939 0.194239 0.195491 0.231338 0.230284 0.209904 0.209273 0.214674 0.216050 0.246870 0.351244 0.00000 -7.52318956e-02 1.22421015e-01 6.42966210e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.1912 0.3112 1.6343 1.6746 -104.0055 -97.3905 -94.7606 -3.4526 7.3352 -5.1790 -5.2866 1.3283 3.9582 -3.4526 7.3352 -5.1790 57.9894 -20.5743 0.4626 30.5151 -22.2404 41.7337 34.3429 -8.3082 23.5712 -29.0500 -8254.5482 -1617.4133 -435.4339 -174.4194 132.8166 -119.3680 -49.5606 -0.4845 19.7215 -1530.2525 -1374.5150 -350.0473 -119.3211 97.3474 -34.9065 0 -660.314966 5.601E-9 1.421E-5 -3.9304379,0.9875849,2.942853,-2.5669026,5.4535707,-3.8504674 C01 [X(C15H24O1)] -0.0752319 0.122421 0.6429662 @ -0.000008698 0.000019355 0.000009886 0.000023813 -0.000027678 0.000024747 -0.000013084 -0.000013393 -0.000002597 -0.000022943 0.000022129 -0.000042394 0.000009675 0.000011833 -0.000010349 0.000001103 -0.000005562 0.000000246 0.000002833 -0.000002271 -0.000005670 0.000038434 -0.000039887 0.000026387 -0.000019333 -0.000022958 0.000001060 0.000021819 -0.000012708 0.000002330 -0.000040836 0.000053692 -0.000005866 -0.000016168 0.000031524 -0.000012385 -0.000008214 0.000005128 -0.000003044 0.000014699 -0.000025458 -0.000024564 0.000006004 -0.000007493 0.000010301 0.000004732 -0.000004623 -0.000004033 -0.000007225 0.000030311 0.000008712 0.000009537 -0.000005232 -0.000005430 -0.000002484 -0.000002871 0.000001369 0.000004903 0.000009557 0.000009860 -0.000004197 0.000008507 0.000002295 -0.000002268 -0.000000086 -0.000001433 -0.000002883 0.000002955 -0.000013442 -0.000000874 0.000002849 0.000010136 0.000006746 -0.000013728 0.000003257 -0.000006047 0.000001507 0.000004305 -0.000002805 -0.000000463 -0.000009869 -0.000005460 0.000024692 0.000001374 -0.000005130 0.000002723 -0.000004454 0.000007309 0.000007623 0.000007323 -0.000006041 0.000007861 0.000002498 0.000002412 -0.000005890 0.000001985 0.000010317 -0.000012825 -0.000000392 -0.000001039 0.000000016 0.000005584 0.000006138 -0.000004437 -0.000014109 -0.000006692 -0.000001508 0.000004907 -0.000009785 -0.000015187 0.000002892 0.000005308 -0.000002359 0.000014459 0.000002471 0.000000971 -0.000003668 0.000013952 -0.000016617 0.000007787 196.15989999999994 AuxInfo=1/0/N:13,9,10,7,6,5,3,2,11,12,14,15,4,8,16,1/E:(9,10)(11,12)/CRV:9.3,10.3,11.3,12.3,14.3,15.3/rA:40OCCCCCCC3CCC3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;s5;s6;s4;s4;s7;s8;s8;s10;s11;s12;s1s14s15;s2;s2;s3;s3;s4;s5;s5;s6;s6;s7;s7;s9;s9;s9;s10;s10;s11;s12;s13;s13;s13;s14;s15;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2028 CBGUSER 000028521 EM64L-G09RevD.01 3-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 114 C1[X(C15H24O)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 196.15989999999994 0 1 AuxInfo=1/0/N:13,9,10,7,6,5,3,2,11,12,14,15,4,8,16,1/E:(9,10)(11,12)/CRV:9.3,10.3,11.3,12.3,14.3,15.3/rA:40OCCCCCCC3CCC3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;s5;s6;s4;s4;s7;s8;s8;s10;s11;s12;s1s14s15;s2;s2;s3;s3;s4;s5;s5;s6;s6;s7;s7;s9;s9;s9;s10;s10;s11;s12;s13;s13;s13;s14;s15;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-1814.inp" -scrdir="/scratch/" chk=000028521-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 000028521 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 16 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 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 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 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 (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| 0.000056 0.000017 0.045608 0.014949 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.713644e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1030.7435006568 208 480 208 61 61 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 40 40 40 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 0 196.15989999999994 AuxInfo=1/0/N:13,9,10,7,6,5,3,2,11,12,14,15,4,8,16,1/E:(9,10)(11,12)/CRV:9.3,10.3,11.3,12.3,14.3,15.3/rA:40OCCCCCCC3CCC3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;s5;s6;s4;s4;s7;s8;s8;s10;s11;s12;s1s14s15;s2;s2;s3;s3;s4;s5;s5;s6;s6;s7;s7;s9;s9;s9;s10;s10;s11;s12;s13;s13;s13;s14;s15;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.543822 0.000000 6.587076 1.544200 0.000000 5.790518 1.556582 2.602147 0.000000 7.710398 2.576219 1.545284 3.979110 0.000000 8.177377 3.960650 2.581754 5.183813 1.545300 0.000000 9.464311 5.158912 3.965331 6.527606 2.582704 1.545346 0.000000 4.259151 2.567042 3.143724 1.531597 4.560874 5.552267 6.957960 0.000000 6.498824 2.556870 3.953311 1.552352 5.127855 6.486380 7.708495 2.544122 0.000000 10.181265 6.506799 5.164684 7.766726 3.966275 2.582932 1.545829 8.069136 9.048471 0.000000 3.754790 3.669309 3.824099 2.567592 5.312021 6.010635 7.509017 1.415922 3.609035 8.424103 0.000000 3.700659 3.165108 3.804475 2.574168 4.952329 5.978115 7.242327 1.421964 3.170851 8.386585 2.427933 0.000000 11.532250 7.735764 6.506595 9.090170 5.159567 3.961614 2.576867 9.449019 10.284224 1.544081 9.890822 9.676422 0.000000 2.481367 4.860797 4.881844 3.876019 6.260278 6.796002 8.258340 2.470756 4.798085 9.047805 1.414066 2.817772 10.511770 0.000000 2.405280 4.483778 4.861805 3.875985 5.950612 6.762986 8.010282 2.471037 4.470472 9.008999 2.818283 1.408056 10.304762 2.450725 0.000000 1.409163 5.187251 5.320528 4.382914 6.537957 7.138442 8.487944 2.851358 5.144309 9.323375 2.441942 2.438314 10.706548 1.413931 1.414169 0.000000 7.609421 1.109935 2.178383 2.178737 2.805838 4.245221 5.275511 3.506085 2.696167 6.682519 4.570607 4.151512 7.812020 5.845637 5.515789 6.236571 0.000000 6.398503 1.109909 2.180088 2.189142 2.801727 4.248291 5.274212 2.806660 2.836777 6.685047 4.096968 2.868228 7.812188 5.096749 4.159022 5.116708 1.775184 0.000000 5.649465 2.179708 1.108373 2.834115 2.180613 2.814956 4.256126 2.787637 4.299914 5.287195 3.281420 3.297521 6.690444 4.106586 4.115801 4.463464 3.093910 2.540337 0.000000 7.001992 2.179012 1.110756 2.832211 2.180069 2.808562 4.252095 3.500224 4.210354 5.280929 3.870885 4.464458 6.684961 5.019774 5.490330 5.723572 2.528903 3.095455 1.776078 0.000000 6.228517 2.163203 2.777110 1.110385 4.221353 5.246998 6.657073 2.145039 2.164475 7.791118 2.602231 3.456576 9.168670 4.015107 4.616001 4.834508 2.524409 3.083806 3.095612 2.549528 0.000000 8.632381 2.801641 2.182210 4.260592 1.110620 2.180335 2.811060 5.147640 5.195340 4.254072 5.973189 5.629694 5.276270 7.054699 6.758566 7.397465 2.572915 3.116524 3.096950 2.539662 4.421049 0.000000 7.573679 2.807169 2.179109 4.264608 1.110364 2.179623 2.811146 4.692770 5.273936 4.253634 5.606643 4.759773 5.277111 6.433403 5.698861 6.469579 3.137018 2.574581 2.532225 3.095152 4.757559 1.776162 0.000000 8.517304 4.247917 2.811218 5.302722 2.180382 1.110411 2.180053 5.762258 6.645136 2.811224 6.041863 6.419017 4.249947 6.897651 7.229305 7.445519 4.433756 4.782330 3.140366 2.580454 5.129977 2.536677 3.095608 0.000000 7.443116 4.250621 2.808552 5.305414 2.179346 1.110179 2.180189 5.359743 6.705820 2.811745 5.680333 5.671207 4.251476 6.261688 6.250043 6.525131 4.781958 4.446948 2.585645 3.128956 5.422447 3.095388 2.533992 1.775845 0.000000 10.230395 5.276677 4.255514 6.704334 2.812986 2.181240 1.110467 7.357250 7.755106 2.179807 7.991490 7.722749 2.802140 8.876667 8.628727 9.167470 5.157047 5.449674 4.791841 4.448256 6.786714 2.584179 3.136138 2.536764 3.096541 0.000000 9.354860 5.279147 4.253820 6.706658 2.812381 2.180798 1.110343 7.046519 7.807503 2.179700 7.721696 7.113489 2.803954 8.391874 7.826606 8.436960 5.459712 5.158279 4.447997 4.787282 7.010504 3.134821 2.583777 3.096173 2.536183 1.775904 0.000000 7.580567 2.797006 4.200811 2.202158 5.209019 6.604094 7.732333 3.506202 1.106187 9.107491 4.505106 4.203401 10.278748 5.780274 5.541524 6.211130 2.473956 3.202672 4.789192 4.335351 2.499049 5.039783 5.441853 6.688890 6.995681 7.620922 7.891961 0.000000 6.430832 2.826365 4.308541 2.206011 5.310185 6.743232 7.860351 2.844658 1.106242 9.259272 4.102989 2.944593 10.420342 5.107123 4.219941 5.149661 3.034276 2.656906 4.578054 4.806351 3.097231 5.416972 5.223105 7.070582 6.922004 7.934545 7.802857 1.786817 0.000000 6.330094 3.526539 4.789652 2.206774 6.084373 7.363984 8.659619 2.776002 1.104863 9.943495 3.522326 3.455909 11.232677 4.608058 4.553653 5.036751 3.727617 3.845149 5.006454 4.921072 2.527512 6.201137 6.273706 7.449305 7.509088 8.743533 8.794801 1.792920 1.784873 0.000000 10.452092 6.681916 5.279344 7.842788 4.250704 2.807879 2.178249 8.210975 9.159294 1.109365 8.442307 8.702275 2.182219 9.120236 9.359977 9.556333 6.800598 7.032908 5.463342 5.159582 7.709095 4.444464 4.784781 2.579136 3.130885 2.534525 3.093512 9.165791 9.496662 10.003112 0.000000 9.600443 6.685291 5.279922 7.846716 4.251368 2.809391 2.177947 7.936332 9.205204 1.109309 8.190547 8.168880 2.181993 8.652668 8.629008 8.861368 7.033709 6.810800 5.167109 5.456694 7.908918 4.785806 4.443099 3.133062 2.581472 3.093399 2.532260 9.393447 9.388226 10.049731 1.774532 0.000000 4.645472 3.903762 3.931755 2.767219 5.456696 6.060348 7.596853 2.174454 3.831783 8.445991 1.096956 3.425877 9.946195 2.170307 3.915206 3.431575 4.643273 4.577140 3.562091 3.663637 2.335682 6.013703 5.948948 5.891269 5.825899 8.007283 7.959172 4.541832 4.563799 3.677218 8.321532 8.278434 0.000000 4.563977 3.019036 3.902164 2.783044 4.818640 6.006268 7.122628 2.184354 3.066088 8.382138 3.427518 1.096695 9.564943 3.914357 2.159766 3.424729 3.882158 2.383609 3.592111 4.723059 3.839357 5.393890 4.442446 6.569432 5.812911 7.525287 6.875056 3.996408 2.501855 3.566109 8.790512 8.242657 4.340827 0.000000 11.471127 7.856555 6.723819 9.258232 5.317896 4.284408 2.843219 9.550975 10.399024 2.197878 10.086544 9.617249 1.106516 10.647842 10.196695 10.697408 7.978469 7.775591 6.849261 7.072386 9.465374 5.496079 5.201094 4.814485 4.474934 3.163288 2.617322 10.440222 10.418316 11.376826 3.108369 2.547965 10.257909 9.420766 0.000000 12.197538 7.853989 6.723711 9.255242 5.317656 4.283727 2.843655 9.782168 10.358490 2.198074 10.293700 10.077372 1.106595 11.033916 10.826421 11.283724 7.772749 7.972351 7.077159 6.844701 9.298395 5.199932 5.497879 4.471980 4.815200 2.615767 3.166733 10.234910 10.517052 11.335767 2.548449 3.108354 10.293359 9.906905 1.785569 0.000000 12.118092 8.666930 7.361751 9.962331 6.099882 4.781808 3.540617 10.253312 11.215076 2.205127 10.587357 10.504889 1.105683 11.138343 11.055899 11.361896 8.781775 8.783847 7.469696 7.463327 9.985091 6.266496 6.266850 4.938921 4.940271 3.819224 3.820358 11.233762 11.388432 12.130654 2.531022 2.530772 10.605894 10.461199 1.787416 1.787467 0.000000 2.749052 5.761018 5.633364 4.749564 7.011247 7.382775 8.864631 3.460894 5.686572 9.518207 2.182610 3.915997 11.013911 1.098243 3.448655 2.186372 6.709421 6.096318 4.844325 5.611883 4.690126 7.813488 7.276894 7.368641 6.798260 9.512641 9.077725 6.617707 6.094441 5.396252 9.503151 9.071638 2.497977 5.012598 11.214508 11.568929 11.560288 0.000000 2.596145 5.206216 5.615391 4.762616 6.529556 7.340048 8.463386 3.468426 5.206347 9.462506 3.912397 2.189658 10.671881 3.433874 1.094253 2.166021 6.211897 4.682745 4.867435 6.357408 5.597033 7.350767 6.109295 7.923353 6.787391 9.113247 8.145050 6.261598 4.755750 5.325699 9.917718 9.038852 5.009263 2.506857 10.454843 11.228312 11.428294 4.341882 0.000000 0.989239 7.075246 7.009386 6.243786 8.185799 8.540486 9.872040 4.730137 7.017817 10.490685 3.943857 4.420689 11.883369 2.542209 3.244862 1.986930 8.130309 7.057052 6.056530 7.291186 6.526811 9.114114 8.155881 8.775656 7.776974 10.655298 9.848846 8.076893 7.077259 6.769271 10.678886 9.878258 4.662629 5.370112 11.890868 12.568360 12.408032 2.387751 3.567535 0.000000 C15H24O 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 0 196.15989999999994 AuxInfo=1/0/N:13,9,10,7,6,5,3,2,11,12,14,15,4,8,16,1/E:(9,10)(11,12)/CRV:9.3,10.3,11.3,12.3,14.3,15.3/rA:40OCCCCCCC3CCC3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s2;s3;s5;s6;s4;s4;s7;s8;s8;s10;s11;s12;s1s14s15;s2;s2;s3;s3;s4;s5;s5;s6;s6;s7;s7;s9;s9;s9;s10;s10;s11;s12;s13;s13;s13;s14;s15;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7248429 0.1694929 0.1470921 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= 10440 NPrTT= 51768 LenC2= 8928 LenP2D= 28325. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 208 RedAO= T EigKep= 6.55D-04 NBF= 208 NBsUse= 208 1.00D-06 EigRej= -1.00D+00 NBFU= 208 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= 201 201 201 201 201 MxSgAt= 40 MxSgA2= 40. 1 Closed 1 0 1 -659.918895346475 -660.044760958575 -0.125865612100 -660.297327456019 -0.252566497443 -660.301117641859 -0.003790185840 -660.314273387676 -0.013155745817 -660.314757334311 -0.000483946635 -660.314779027426 -0.000021693116 -660.314783958722 -0.000004931296 -660.314963496420 -0.000179537697 -660.314963511556 -0.000000015136 -660.314963694972 -0.000000183416 -660.314963786054 -0.000000091082 -660.314963792469 -0.000000006415 -660.314963792694 -0.000000000225 -660.314963792735 -0.000000000041 -660.314963792729 0.000000000005 -660.314963793 16 6.566855579098e+02 -3.595361904531e+03 1.247617882172e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=240953546. IVT= 151270 IEndB= 151270 NGot= 939524096 MDV= 703135111 LenX= 703135111 LenY= 703091406 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= 21736 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= 40. Will process 41 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111 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= 939523484 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=240813914. 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= 21736 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 123 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 120 vectors produced by pass 0 Test12= 8.97D-15 1.00D-09 XBig12= 2.31D+02 8.72D+00. AX will form 120 AO Fock derivatives at one time. 120 vectors produced by pass 1 Test12= 8.97D-15 1.00D-09 XBig12= 3.77D+01 1.62D+00. 120 vectors produced by pass 2 Test12= 8.97D-15 1.00D-09 XBig12= 1.30D-01 4.10D-02. 119 vectors produced by pass 3 Test12= 8.97D-15 1.00D-09 XBig12= 2.02D-05 4.65D-04. 52 vectors produced by pass 4 Test12= 8.97D-15 1.00D-09 XBig12= 3.86D-09 8.88D-06. 3 vectors produced by pass 5 Test12= 8.97D-15 1.00D-09 XBig12= 2.70D-13 5.74D-08. 2 vectors produced by pass 6 Test12= 8.97D-15 1.00D-09 XBig12= 2.55D-16 1.53D-09. InvSVY: IOpt=1 It= 1 EMax= 1.24D-14 Solved reduced A of dimension 536 with 123 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 164.21 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 173.044 -22.186 171.360 1.557 -2.497 148.224 226.927 -64.011 296.386 -0.672 2.125 296.402 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2358.800S Wed May 3 21:58:08 2017 -18.78907 -9.96362 -9.90658 -9.90369 -9.90319 -9.90215 -9.90156 -9.90010 -9.88524 -9.88354 -9.88120 -9.88071 -9.88053 -9.88002 -9.87952 -9.87565 -0.96568 -0.77560 -0.73036 -0.71540 -0.68763 -0.67552 -0.65600 -0.63967 -0.59655 -0.56909 -0.55122 -0.53813 -0.50982 -0.50682 -0.50222 -0.48922 -0.43014 -0.41899 -0.41637 -0.39889 -0.38879 -0.37729 -0.37667 -0.37270 -0.36016 -0.35824 -0.34827 -0.34729 -0.34631 -0.32666 -0.32183 -0.31659 -0.30236 -0.29764 -0.29106 -0.28961 -0.27893 -0.27804 -0.27559 -0.27056 -0.26953 -0.26660 -0.25191 -0.22455 -0.18879 -0.03685 -0.02078 0.03449 0.08352 0.08875 0.09428 0.09687 0.10056 0.10192 0.10686 0.11993 0.12662 0.13695 0.14537 0.14884 0.15050 0.15430 0.15865 0.16054 0.16581 0.17084 0.17367 0.17532 0.18212 0.18669 0.18852 0.19063 0.20147 0.20371 0.20427 0.21041 0.21819 0.22664 0.22862 0.23442 0.24233 0.24938 0.25366 0.26431 0.26925 0.27771 0.28405 0.28826 0.28948 0.30492 0.30848 0.31303 0.31586 0.32366 0.33165 0.33550 0.34394 0.34617 0.35088 0.36093 0.36989 0.37433 0.38335 0.38773 0.39815 0.40622 0.40826 0.41686 0.42459 0.42823 0.44213 0.45291 0.46499 0.46905 0.47832 0.48568 0.49750 0.50380 0.50629 0.51704 0.52725 0.53400 0.54317 0.56227 0.57432 0.57965 0.61256 0.62867 0.65501 0.68899 0.70344 0.70751 0.72561 0.74092 0.76903 0.83594 0.85080 0.86173 0.88859 0.89940 0.91254 0.92811 0.95438 0.96159 0.97338 0.98726 0.99117 1.00165 1.01744 1.02811 1.04263 1.04812 1.05705 1.06469 1.08787 1.08801 1.10967 1.11686 1.12695 1.13681 1.16321 1.17514 1.17929 1.18792 1.19171 1.21766 1.22339 1.23936 1.26217 1.30634 1.35977 1.37389 1.43208 1.48225 1.55466 1.72360 22.31240 22.49482 22.53062 22.57031 22.58164 22.60423 22.62251 22.64467 22.65221 22.67208 22.68834 22.69869 22.70320 22.71563 22.78576 41.52222 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 O 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 -0.437007 -0.410328 -0.373925 -0.222622 -0.373202 -0.375761 -0.353447 0.548987 -0.727993 -0.356712 -0.436783 -0.383857 -0.696766 -0.384695 -0.365455 0.275134 0.193873 0.195712 0.215815 0.183192 0.202261 0.187463 0.191327 0.188045 0.192359 0.186696 0.188213 0.211960 0.211205 0.226941 0.194241 0.195495 0.231330 0.230284 0.209905 0.209274 0.214675 0.216048 0.246874 0.351242 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 O C C C C C C C C C C C C C C C -0.085764 -0.020743 0.025082 -0.020361 0.005588 0.004643 0.021462 0.548987 -0.077886 0.033024 -0.205453 -0.153573 -0.062913 -0.168647 -0.118581 0.275134 0.00000 -7.52954033e-02 1.07830896e-01 6.45596779e-01 1.73043813e+02 -2.21859499e+01 1.71360347e+02 1.55726712e+00 -2.49689597e+00 1.48223817e+02 -8.1835 -5.6656 -0.0007 0.0002 0.0006 4.5522 19.3991 26.4614 49.5838 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 19.2755 26.0605 49.1462 52.5295 62.7115 95.9101 105.9397 129.7331 141.7898 148.7501 188.7545 199.4662 219.4845 227.0183 241.0336 257.9173 333.1032 355.3775 384.5902 395.3694 410.4997 422.1497 471.1485 485.5996 531.3652 546.2609 635.7923 684.3975 720.1528 728.3015 732.6988 760.9812 804.6997 810.4194 823.3699 833.7066 887.5093 892.7927 904.8723 929.7249 956.3997 971.3604 991.7296 1002.0579 1006.1946 1011.5187 1049.2331 1065.3986 1072.7794 1078.0723 1084.8161 1104.0424 1119.9713 1140.9045 1146.4396 1178.5717 1188.6423 1202.4679 1224.0784 1228.1788 1245.8705 1260.3541 1264.5841 1277.8382 1285.9656 1289.5382 1292.7538 1301.3922 1317.4780 1341.7491 1345.0843 1354.5280 1354.8459 1384.0564 1389.0391 1392.6371 1426.7564 1459.1100 1461.6380 1463.8299 1468.8260 1470.7381 1475.0026 1476.2217 1477.6606 1483.9132 1488.7550 1502.8484 1597.1739 1625.3900 2948.3169 2949.5337 2953.8352 2956.0365 2960.8022 2966.0960 2967.8546 2971.1733 2972.9056 2983.0654 2991.9226 3002.1189 3013.1135 3029.1926 3040.8923 3066.8726 3067.5586 3069.8785 3076.9422 3106.7347 3123.7534 3132.7486 3165.7647 3581.9917 4.6076 3.4808 1.5774 3.3861 3.6347 2.0549 2.2465 3.4202 1.9954 2.5214 2.1568 3.0229 1.3558 1.1174 2.6879 4.0219 3.4565 1.1147 3.6157 3.8613 2.9490 3.6031 3.4696 3.0912 2.8180 2.3234 6.8776 2.8846 1.0693 1.3540 2.1478 1.2120 1.3545 3.9256 1.3516 1.5547 1.8895 1.6103 1.4277 1.3848 1.3724 1.4233 2.4007 2.9622 2.6653 1.6246 2.9499 1.8034 1.8423 2.1175 2.1916 1.6582 2.3590 1.6741 1.6268 1.1115 1.7237 1.7320 1.4281 1.4278 2.6837 1.2963 1.2947 1.0378 1.2187 1.1087 1.2443 1.3208 1.3680 1.4610 1.4890 1.6183 1.6987 1.2663 1.2188 4.2758 2.6174 1.0769 1.0728 1.0698 1.0735 1.0528 1.0727 1.0426 1.0797 1.0865 1.0920 2.6461 6.3166 6.5008 1.0589 1.0589 1.0604 1.0610 1.0675 1.0721 1.0614 1.0366 1.0356 1.0958 1.0976 1.0993 1.1035 1.1043 1.1041 1.0994 1.1006 1.0993 1.0998 1.0873 1.0891 1.0960 1.0952 1.0660 0.0010 0.0014 0.0022 0.0055 0.0084 0.0111 0.0149 0.0339 0.0236 0.0329 0.0453 0.0709 0.0385 0.0339 0.0920 0.1576 0.2260 0.0829 0.3151 0.3556 0.2928 0.3783 0.4538 0.4295 0.4688 0.4085 1.6380 0.7961 0.3267 0.4231 0.6793 0.4135 0.5168 1.5191 0.5399 0.6367 0.8769 0.7562 0.6887 0.7052 0.7396 0.7913 1.3912 1.7525 1.5899 0.9794 1.9134 1.2061 1.2492 1.4500 1.5196 1.1908 1.7434 1.2839 1.2598 0.9097 1.4349 1.4755 1.2608 1.2690 2.4543 1.2132 1.2199 0.9984 1.1874 1.0863 1.2252 1.3180 1.3990 1.5497 1.5873 1.7493 1.8372 1.4292 1.3855 4.8859 3.1392 1.3509 1.3504 1.3507 1.3646 1.3418 1.3751 1.3387 1.3891 1.4096 1.4260 3.5212 9.4938 10.1188 5.4232 5.4278 5.4513 5.4624 5.5136 5.5571 5.5084 5.3917 5.3927 5.7454 5.7890 5.8376 5.9028 5.9701 6.0154 6.0927 6.1019 6.1039 6.1350 6.1832 6.2615 6.3373 6.4670 8.0583 0.0177 1.1234 0.0077 0.1135 0.0674 0.0580 0.0792 0.2157 0.0044 0.0251 0.4551 0.0022 0.0759 0.0004 0.0332 0.0248 1.2697 144.3295 8.2326 2.3009 1.8950 3.6618 4.1759 1.4610 0.0305 33.3524 0.4326 18.0378 11.0270 1.4382 1.2216 1.4809 24.7059 12.4669 1.5182 45.5801 4.6623 2.4161 0.7459 0.2715 0.2126 2.9351 1.5894 4.3380 0.1215 1.7061 0.1943 6.1205 2.7946 0.5948 5.6279 44.9514 10.0249 148.0683 82.2981 4.2611 0.4318 2.0644 4.7686 0.2078 28.2180 0.7327 0.2742 0.7135 0.7173 1.6840 1.4682 18.1868 0.5307 3.3203 0.8281 1.9606 0.6722 13.9790 11.3459 12.7643 11.7620 0.5578 0.0878 0.0955 0.7028 13.3428 2.1415 12.1436 0.4687 2.5771 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