Gaussian 09 GINC-KIMIK2028 CBGUSER 000246552 EM64L-G09RevD.01 25-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 208.17059999999992 0 1 AuxInfo=1/0/N:6,14,17,12,13,15,16,8,9,10,11,3,2,5,7,4,1/E:(4,5)(6,7)(8,9)(10,11)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,14.3,15.3/rA:35OCCCC3CC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;s2;s1s3;s2;s2;s4;s5;s5;s7;s7;s8;s9;s12s13;s10;s11;s15s16;s2;s3;s3;s4;s6;s6;s6;s8;s9;s10;s11;s1;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-10358.inp" -scrdir="/scratch/" chk=000246552.chk nprocshared=4 mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000246552 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 1 1 2 2 2 2 3 3 3 4 4 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 4 29 3 5 6 18 4 19 20 7 21 8 9 22 23 24 10 11 12 25 13 26 15 27 16 28 14 30 14 31 32 17 33 17 34 35 1.4475 0.9746 1.54 1.5168 1.534 1.1229 1.5392 1.1089 1.1059 1.5125 1.1148 1.4034 1.4033 1.0955 1.0969 1.0955 1.402 1.4017 1.3971 1.088 1.3977 1.0887 1.3977 1.0889 1.3972 1.0917 1.3986 1.0887 1.398 1.0888 1.0877 1.3987 1.0883 1.3988 1.0885 1.0879 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 4 3 3 3 5 5 6 2 2 2 4 4 19 1 1 1 3 3 7 2 2 8 2 2 2 22 22 23 4 4 10 5 5 12 5 5 13 7 7 15 7 7 16 8 8 14 9 9 14 12 12 13 10 10 17 11 11 17 15 15 16 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 29 5 6 18 6 18 18 4 19 20 19 20 20 3 7 21 7 21 21 8 9 9 22 23 24 23 24 24 10 11 11 12 25 25 13 26 26 15 27 27 16 28 28 14 30 30 14 31 31 13 32 32 17 33 33 17 34 34 16 35 35 110.2729 111.8459 110.5951 107.5412 109.863 109.036 107.8372 112.6823 109.6344 110.5421 109.2149 109.4057 105.0755 108.1505 105.0247 107.882 112.6058 111.2773 111.5396 121.1603 119.575 119.2622 112.038 110.9757 111.3473 107.1368 107.6074 107.5072 119.7091 120.3058 119.9846 120.3002 119.9252 119.7738 120.2955 120.1085 119.5943 119.8274 120.2652 119.9062 119.9411 119.259 120.7903 120.23 119.865 119.9049 120.2206 119.8313 119.9481 119.6899 120.1457 120.1642 120.1976 119.8518 119.9499 120.1114 119.8674 120.021 119.9339 120.0299 120.0356 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 29 29 29 5 5 5 6 6 6 18 18 18 3 3 6 6 18 18 3 3 3 5 5 5 18 18 18 2 2 2 19 19 19 20 20 20 1 1 3 3 21 21 2 2 9 9 2 2 8 8 4 4 11 11 4 4 10 10 5 5 25 25 5 5 26 26 7 7 27 27 7 7 28 28 8 8 30 30 9 9 31 31 10 10 33 33 11 11 34 34 1 1 1 2 2 2 2 2 2 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 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 15 15 15 15 16 16 16 16 4 4 4 3 3 3 3 3 3 3 3 3 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 4 4 4 4 4 4 4 4 4 7 7 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 15 15 15 15 16 16 16 16 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 3 7 21 4 19 20 4 19 20 4 19 20 8 9 8 9 8 9 22 23 24 22 23 24 22 23 24 1 7 21 1 7 21 1 7 21 10 11 10 11 10 11 12 25 12 25 13 26 13 26 15 27 15 27 16 28 16 28 14 30 14 30 14 31 14 31 17 33 17 33 17 34 17 34 13 32 13 32 12 32 12 32 16 35 16 35 15 35 15 35 69.862 -169.6853 -50.6049 61.0014 -177.1399 -61.762 -176.199 -54.3403 61.0375 -58.6851 63.1736 178.5515 54.8582 -125.7276 -68.3567 111.0575 173.6623 -6.9235 -59.6624 -179.3738 60.9073 64.284 -55.4274 -175.1463 -176.9944 63.2943 -56.4247 -172.1597 72.2449 -53.8369 65.7447 -49.8508 -175.9325 -48.7622 -164.3576 69.5606 146.0807 -34.151 -96.4584 83.3099 29.4819 -150.7498 179.8457 0.1965 0.4297 -179.2195 -179.8456 -0.3136 -0.4202 179.1118 179.0712 -1.3361 -0.6979 178.8949 -179.3398 1.7751 0.4278 -178.4573 -0.1099 -179.998 179.5398 -0.3483 0.091 -179.986 -179.4434 0.4796 0.4003 -179.8955 -179.1939 0.5103 0.1416 -179.7309 179.0093 -0.8631 -0.223 179.9297 179.665 -0.1823 0.2324 -179.9203 -179.6906 0.1567 0.168 179.8885 -179.536 0.1845 -0.4398 179.8397 179.4324 -0.2881 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 197 210 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 35 35 35 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 9591 NPrTT= 48616 LenC2= 8851 LenP2D= 29250. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 206 RedAO= T EigKep= 8.98D-04 NBF= 206 NBsUse= 206 1.00D-06 EigRej= -1.00D+00 NBFU= 206 Using GEDIIS/GDIIS optimizer. local minimum Step number 9 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00220 0.00270 0.00318 0.00325 0.00629 0.00674 0.01491 0.01540 0.02007 0.02066 0.02084 0.02092 0.02098 0.02103 0.02108 0.02111 0.02112 0.02113 0.02116 0.02117 0.02119 0.02121 0.02127 0.02144 0.03301 0.04008 0.04713 0.04946 0.05473 0.05495 0.05512 0.05840 0.06097 0.08104 0.08798 0.12605 0.15324 0.15792 0.15997 0.15999 0.15999 0.16000 0.16000 0.16000 0.16000 0.16002 0.16011 0.16033 0.16046 0.16089 0.16815 0.18219 0.18270 0.19694 0.21997 0.22001 0.22013 0.22042 0.23481 0.23674 0.24591 0.25029 0.27380 0.28668 0.29056 0.29699 0.30998 0.31232 0.32024 0.32789 0.32893 0.33199 0.34071 0.34180 0.34401 0.34616 0.34946 0.34953 0.34976 0.35000 0.35013 0.35032 0.35069 0.35081 0.35239 0.39060 0.41608 0.41699 0.41716 0.41917 0.45152 0.45419 0.45545 0.45737 0.45839 0.46013 0.46078 0.48994 0.52397 RFO step: Lambda=-2.57471465D-08. 1 2 3 0.00176415 0.00000143 0.00000000 0.00000081 0.00000002 0.00000002 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 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 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 2.80121 1.87341 2.93589 2.89659 2.93523 2.09355 2.93477 2.09284 2.10021 2.87546 2.09797 2.68404 2.68072 2.09038 2.08745 2.09007 2.67572 2.67894 2.66922 2.07355 2.67188 2.07386 2.67237 2.07312 2.66808 2.06915 2.67352 2.07154 2.67105 2.07138 2.07065 2.67122 2.07122 2.67492 2.07144 2.07113 1.89061 1.97550 1.92245 1.87462 1.92828 1.87983 1.87940 2.00441 1.90447 1.90448 1.88836 1.89417 1.86282 1.90898 1.86027 1.91580 1.96789 1.89884 1.91158 2.11853 2.10287 2.06119 1.93876 1.93567 1.93295 1.87908 1.88498 1.89038 2.10674 2.09713 2.07902 2.11241 2.09120 2.07956 2.11430 2.07959 2.08928 2.10419 2.08693 2.09197 2.10126 2.07574 2.10568 2.09852 2.09174 2.09292 2.09677 2.09152 2.09490 2.08317 2.09966 2.10036 2.09571 2.09218 2.09526 2.09899 2.09180 2.09237 2.08712 2.09791 2.09810 0.94732 3.07968 -1.13478 1.09136 -3.06869 -1.03935 -3.02344 -0.90031 1.12903 -0.98129 1.14185 -3.11200 0.94478 -2.23463 -1.22042 1.88335 3.01442 -0.16500 -1.09004 3.10409 1.00465 1.10535 -0.98370 -3.08314 -3.12922 1.06491 -1.03453 -3.07261 1.14412 -0.98007 1.07870 -0.98776 -3.11195 -0.93633 -3.00278 1.15621 2.40864 -0.75935 -1.77981 1.33538 0.33716 -2.83084 3.10994 -0.02553 0.00530 -3.13018 -3.10723 0.02830 -0.00223 3.13329 3.10319 -0.05309 -0.01228 3.11463 -3.10755 0.06831 0.00806 -3.09926 -0.00377 3.14122 3.13175 -0.00645 -0.00238 3.14029 -3.13787 0.00480 0.00555 3.13652 -3.12132 0.00965 0.00289 -3.13201 3.10962 -0.02529 -0.00095 -3.14077 3.13725 -0.00257 0.00397 -3.13939 -3.13869 0.00113 0.00550 3.13579 -3.12545 0.00484 -0.00970 -3.13999 3.12521 -0.00508 -0.00004 0.00001 -0.00001 -0.00002 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00003 0.00001 0.00001 -0.00002 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00002 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00002 -0.00001 0.00001 0.00003 -0.00001 0.00000 -0.00002 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00002 0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 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 0.00001 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 0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00001 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 0.00000 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 -0.00019 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0.00007 0.00003 -0.00001 0.00019 0.00026 0.00040 0.00006 0.00014 0.00028 0.00000 0.00008 0.00022 0.00124 0.00104 0.00116 0.00096 0.00108 0.00088 0.00027 0.00029 -0.00004 -0.00002 -0.00024 -0.00037 0.00006 -0.00007 -0.00029 -0.00037 -0.00010 -0.00018 0.00024 0.00025 0.00004 0.00006 0.00001 0.00004 -0.00001 0.00003 -0.00006 -0.00002 0.00007 0.00011 0.00007 0.00009 0.00015 0.00017 0.00004 0.00001 0.00003 0.00000 -0.00001 -0.00003 -0.00004 -0.00006 0.00003 0.00005 -0.00001 0.00001 0.00002 0.00006 -0.00001 0.00004 -0.00007 -0.00012 -0.00004 -0.00009 -0.00004 0.00001 0.00001 -0.00003 -0.00007 0.00002 0.00009 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00002 -0.00002 -0.00002 0.00002 0.00001 -0.00004 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00002 0.00000 -0.00001 -0.00001 0.00000 -0.00002 0.00000 -0.00001 -0.00003 -0.00006 -0.00006 0.00006 0.00007 0.00002 -0.00003 -0.00005 0.00002 0.00004 -0.00009 0.00004 0.00005 -0.00008 0.00007 -0.00010 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0.00007 -0.00007 0.00005 -0.00007 0.00004 0.00001 -0.00010 0.00014 0.00003 0.00007 0.00001 0.00008 0.00002 0.00000 0.00006 -0.00008 -0.00002 -0.00023 0.00002 0.00004 -0.00002 -0.00009 0.00000 0.00005 -0.00001 0.00002 -0.00001 0.00004 0.00005 -0.00004 0.00000 -0.00002 -0.00001 0.00003 -0.00002 -0.00005 0.00002 0.00001 0.00001 -0.00003 0.00001 0.00001 -0.00001 0.00003 0.00000 -0.00003 0.00000 0.00000 0.00002 0.00000 -0.00003 0.00000 -0.00001 -0.00001 -0.00026 -0.00014 0.00014 0.00023 -0.00003 0.00008 0.00015 0.00001 -0.00016 -0.00009 -0.00004 0.00014 -0.00010 0.00006 0.00008 -0.00012 0.00001 0.00007 -0.00008 0.00010 -0.00002 -0.00003 0.00001 -0.00007 0.00004 0.00000 0.00007 -0.00005 0.00004 0.00001 0.00001 0.00001 -0.00002 0.00002 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00006 0.00008 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00002 0.00001 0.00000 0.00000 0.00000 0.00007 -0.00009 0.00007 0.00086 0.00085 0.00093 0.00086 0.00086 0.00094 0.00096 0.00096 0.00104 0.00158 0.00170 0.00178 0.00190 0.00158 0.00169 0.00008 0.00005 0.00001 -0.00020 -0.00023 -0.00027 -0.00006 -0.00009 -0.00013 -0.00021 -0.00015 -0.00017 -0.00026 -0.00019 -0.00021 -0.00035 -0.00029 -0.00030 0.00142 0.00113 0.00127 0.00098 0.00125 0.00097 0.00027 0.00035 0.00016 0.00024 -0.00030 -0.00042 -0.00019 -0.00032 -0.00029 -0.00047 -0.00001 -0.00018 0.00031 0.00031 0.00003 0.00002 -0.00003 0.00001 -0.00011 -0.00007 0.00009 0.00001 0.00022 0.00013 -0.00005 -0.00004 0.00013 0.00014 0.00001 0.00007 0.00001 0.00007 -0.00007 0.00002 -0.00011 -0.00001 0.00004 -0.00005 0.00013 0.00003 0.00009 0.00007 0.00008 0.00007 -0.00007 -0.00005 -0.00012 -0.00011 2.80097 1.87343 2.93593 2.89657 2.93514 2.09355 2.93482 2.09283 2.10023 2.87545 2.09801 2.68408 2.68068 2.09038 2.08743 2.09006 2.67576 2.67892 2.66917 2.07357 2.67189 2.07387 2.67234 2.07314 2.66809 2.06914 2.67355 2.07153 2.67102 2.07138 2.07065 2.67124 2.07122 2.67488 2.07144 2.07113 1.89059 1.97524 1.92232 1.87476 1.92851 1.87980 1.87948 2.00456 1.90448 1.90432 1.88827 1.89413 1.86295 1.90888 1.86033 1.91587 1.96777 1.89886 1.91165 2.11845 2.10297 2.06117 1.93874 1.93568 1.93288 1.87912 1.88498 1.89045 2.10669 2.09716 2.07903 2.11242 2.09121 2.07954 2.11432 2.07958 2.08928 2.10419 2.08694 2.09196 2.10124 2.07567 2.10575 2.09852 2.09174 2.09292 2.09676 2.09150 2.09492 2.08317 2.09966 2.10035 2.09571 2.09218 2.09525 2.09901 2.09177 2.09238 2.08711 2.09792 2.09810 0.94739 3.07959 -1.13471 1.09222 -3.06784 -1.03842 -3.02258 -0.89945 1.12997 -0.98032 1.14280 -3.11097 0.94636 -2.23294 -1.21864 1.88525 3.01599 -0.16331 -1.08996 3.10414 1.00466 1.10516 -0.98393 -3.08341 -3.12928 1.06482 -1.03466 -3.07283 1.14397 -0.98024 1.07844 -0.98795 -3.11216 -0.93668 -3.00307 1.15591 2.41006 -0.75822 -1.77854 1.33636 0.33841 -2.82987 3.11022 -0.02518 0.00546 -3.12994 -3.10753 0.02787 -0.00243 3.13297 3.10289 -0.05356 -0.01228 3.11445 -3.10724 0.06862 0.00808 -3.09924 -0.00380 3.14122 3.13164 -0.00652 -0.00228 3.14029 -3.13765 0.00493 0.00550 3.13648 -3.12119 0.00979 0.00291 -3.13195 3.10963 -0.02522 -0.00102 -3.14075 3.13715 -0.00259 0.00401 -3.13944 -3.13856 0.00117 0.00558 3.13586 -3.12537 0.00490 -0.00977 -3.14004 3.12508 -0.00519 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000036 0.000007 0.007809 0.001764 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -7.922018e-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 1 1 2 2 2 2 3 3 3 4 4 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 4 29 3 5 6 18 4 19 20 7 21 8 9 22 23 24 10 11 12 25 13 26 15 27 16 28 14 30 14 31 32 17 33 17 34 35 1.4823 0.9914 1.5536 1.5328 1.5533 1.1079 1.553 1.1075 1.1114 1.5216 1.1102 1.4203 1.4186 1.1062 1.1046 1.106 1.4159 1.4176 1.4125 1.0973 1.4139 1.0974 1.4142 1.097 1.4119 1.0949 1.4148 1.0962 1.4135 1.0961 1.0957 1.4136 1.096 1.4155 1.0962 1.096 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 4 3 3 3 5 5 6 2 2 2 4 4 19 1 1 1 3 3 7 2 2 8 2 2 2 22 22 23 4 4 10 5 5 12 5 5 13 7 7 15 7 7 16 8 8 14 9 9 14 12 12 13 10 10 17 11 11 17 15 15 16 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 29 5 6 18 6 18 18 4 19 20 19 20 20 3 7 21 7 21 21 8 9 9 22 23 24 23 24 24 10 11 11 12 25 25 13 26 26 15 27 27 16 28 28 14 30 30 14 31 31 13 32 32 17 33 33 17 34 34 16 35 35 108.3238 113.1878 110.1485 107.408 110.4823 107.7064 107.6818 114.8443 109.1181 109.1187 108.1952 108.528 106.7315 109.3766 106.5858 109.767 112.7517 108.7958 109.5256 121.3826 120.4855 118.0977 111.083 110.9058 110.7501 107.6634 108.0016 108.3109 120.7074 120.1564 119.1192 121.0321 119.817 119.15 121.1403 119.1517 119.7071 120.5614 119.5723 119.8609 120.3931 118.9309 120.6465 120.2364 119.8477 119.9156 120.1358 119.8351 120.0291 119.3568 120.3016 120.3416 120.0751 119.8728 120.0493 120.2635 119.8513 119.8841 119.583 120.2017 120.2121 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 29 29 29 5 5 5 6 6 6 18 18 18 3 3 6 6 18 18 3 3 3 5 5 5 18 18 18 2 2 2 19 19 19 20 20 20 1 1 3 3 21 21 2 2 9 9 2 2 8 8 4 4 11 11 4 4 10 10 5 5 25 25 5 5 26 26 7 7 27 27 7 7 28 28 8 8 30 30 9 9 31 31 10 10 33 33 11 11 34 1 1 1 2 2 2 2 2 2 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 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 15 15 15 15 16 16 16 4 4 4 3 3 3 3 3 3 3 3 3 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 4 4 4 4 4 4 4 4 4 7 7 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 15 15 15 15 16 16 16 16 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 3 7 21 4 19 20 4 19 20 4 19 20 8 9 8 9 8 9 22 23 24 22 23 24 22 23 24 1 7 21 1 7 21 1 7 21 10 11 10 11 10 11 12 25 12 25 13 26 13 26 15 27 15 27 16 28 16 28 14 30 14 30 14 31 14 31 17 33 17 33 17 34 17 34 13 32 13 32 12 32 12 32 16 35 16 35 15 35 15 54.2777 176.4527 -65.0179 62.5304 -175.8229 -59.5505 -173.2305 -51.5838 64.6886 -56.2237 65.423 -178.3046 54.1319 -128.0349 -69.925 107.9082 172.7133 -9.4536 -62.4546 177.8511 57.5621 63.3321 -56.3621 -176.6511 -179.291 61.0148 -59.2742 -176.0478 65.553 -56.154 61.8048 -56.5944 -178.3014 -53.6477 -172.0468 66.2462 138.0051 -43.5076 -101.9755 76.5119 19.3177 -162.195 178.1867 -1.4627 0.3035 -179.346 -178.031 1.6212 -0.1279 179.5243 177.7995 -3.042 -0.7034 178.4552 -178.0498 3.914 0.4615 -177.5747 -0.2158 179.9786 179.4359 -0.3697 -0.1362 179.9251 -179.7866 0.2748 0.3178 179.7091 -178.8383 0.553 0.1658 -179.4512 178.1681 -1.4489 -0.0542 -179.953 179.7513 -0.1475 0.2277 -179.8735 -179.8338 0.065 0.3151 179.6675 -179.0752 0.2772 -0.5558 -179.9081 179.0611 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 208.17059999999992 AuxInfo=1/0/N:6,14,17,12,13,15,16,8,9,10,11,3,2,5,7,4,1/E:(4,5)(6,7)(8,9)(10,11)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,14.3,15.3/rA:35OCCCC3CC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;s2;s1s3;s2;s2;s4;s5;s5;s7;s7;s8;s9;s12s13;s10;s11;s15s16;s2;s3;s3;s4;s6;s6;s6;s8;s9;s10;s11;s1;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.802655 0.000000 2.419244 1.539968 0.000000 1.447523 2.562986 1.539240 0.000000 4.305022 1.516750 2.531866 3.056011 0.000000 4.944880 1.533951 2.527131 3.910745 2.496914 0.000000 2.349051 3.182259 2.539021 1.512481 3.876227 4.519316 0.000000 4.543302 2.544179 3.072262 3.617193 1.403390 3.144172 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2.539277 0.000000 5.181754 2.207347 2.825252 4.313335 2.825705 1.106183 5.169755 2.979955 4.025313 5.773052 5.808229 4.228673 5.022703 5.112437 6.833597 6.863966 7.322693 3.097022 3.066410 2.642261 4.561090 0.000000 5.984289 2.203930 3.516155 4.801198 2.766636 1.104631 5.209203 3.525163 3.406776 5.442885 5.866277 4.589220 4.498435 5.004040 6.259180 6.632597 6.809935 2.517859 3.731865 3.830600 4.999717 1.784761 0.000000 5.112881 2.202993 2.780362 4.209547 3.500630 1.106016 4.587536 4.230654 4.450007 5.226588 4.881589 5.553793 5.723785 6.194800 6.016712 5.720887 6.238579 2.504792 2.477446 3.170373 4.781560 1.789725 1.791970 0.000000 4.491378 2.787191 2.936253 3.745522 2.184313 3.157816 5.032702 1.097277 3.434104 5.510896 6.086580 2.170033 3.916181 3.439089 6.847650 7.318115 7.651108 3.836167 3.841058 2.282555 3.398449 2.616826 3.705254 4.062500 0.000000 5.605710 2.754927 3.979605 4.129911 2.175646 3.723475 4.059612 3.430089 1.097438 3.382580 5.203000 3.914340 2.177471 3.442122 4.109838 5.704170 5.240129 2.331406 4.689671 4.645830 3.776746 4.456058 3.495039 4.451405 4.343566 0.000000 3.965893 3.516928 3.673317 2.757852 3.413761 5.014931 2.177523 4.427987 3.080598 1.097050 3.437202 5.034045 3.902329 4.816578 2.179043 3.917954 3.442505 3.020675 4.322368 4.483775 2.404552 5.696515 5.343267 5.450018 5.074571 2.765008 0.000000 2.552024 4.340642 3.262704 2.736252 5.473311 5.224705 2.170343 6.251978 6.162215 3.430370 1.094945 7.469917 7.397844 7.983261 3.919458 2.183661 3.447465 4.091304 2.720939 4.013202 3.772438 5.760652 6.091582 4.854355 6.126099 5.949778 4.334781 0.000000 0.991367 4.052299 2.598982 2.025865 4.506080 5.037070 3.273763 4.479288 5.555324 4.436906 3.771930 5.492237 6.405642 6.382241 5.665288 5.156849 5.967191 4.577262 2.943065 2.345689 2.419364 4.982460 6.040365 5.207911 4.041012 5.958190 4.612177 3.385727 0.000000 6.294357 4.751106 5.162785 5.524204 3.455019 5.228672 6.692562 2.176707 3.913112 6.767177 7.963634 1.096210 3.436201 2.179488 8.070826 9.096729 9.148152 5.582983 6.185985 4.642760 4.748441 4.771815 5.383828 6.274464 2.492569 5.010534 5.983480 8.183738 5.843069 0.000000 7.143125 4.739717 5.828914 5.802208 3.455225 5.593926 6.006366 3.915127 2.177770 5.194079 7.321947 3.437101 1.096129 2.179465 5.938127 7.868341 7.263862 4.686671 6.755206 6.166891 5.036125 5.986169 5.244794 6.539309 5.012296 2.503085 4.216951 8.064014 7.311547 4.345554 0.000000 7.432715 5.485210 6.286578 6.365157 3.952879 6.179245 7.097535 3.445248 3.444935 6.654461 8.483444 2.183244 2.182493 1.095742 7.715918 9.339394 9.003834 5.914259 7.344357 6.175470 5.439681 6.118078 6.003680 7.261331 4.342976 4.348732 5.653019 9.000620 7.272477 2.514336 2.515528 0.000000 5.725384 5.317039 5.568712 4.730345 5.538318 6.578967 3.448168 6.752931 4.949430 2.178340 3.920951 7.362111 5.751066 6.927628 1.096044 3.439888 2.179692 4.417167 5.841046 6.568467 4.742062 7.487841 6.737198 6.735267 7.415586 4.154253 2.506304 5.015329 6.578293 8.370002 5.694687 7.678936 0.000000 4.858614 5.897986 5.310156 4.722826 7.004758 6.742052 3.446488 8.074948 7.285780 3.917162 2.176159 9.210031 8.527661 9.418234 3.438563 1.096157 2.179769 5.210628 4.779049 6.260989 5.569410 7.539462 7.346791 6.262242 8.178170 6.714971 5.013979 2.515763 5.789901 10.070689 8.934785 10.403476 4.346586 0.000000 6.067607 6.287962 6.199673 5.459616 7.032785 7.313240 3.938488 8.277174 6.809112 3.444002 3.445125 9.169108 7.868393 8.992451 2.181288 2.183161 1.095997 5.344416 6.021036 7.265457 5.933192 8.266299 7.624896 7.081759 8.699155 6.002360 4.348817 4.354754 7.036614 10.149813 7.970928 9.861004 2.513729 2.513178 0.000000 0.7634281 0.2814114 0.2511041 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= 203 203 203 203 204 MxSgAt= 35 MxSgA2= 35. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 35 35 35 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 35 35 35 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 35 35 35 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 35 35 35 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 35 35 35 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 35 35 35 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 35 35 35 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 35 35 35 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 9591 NPrTT= 48616 LenC2= 8839 LenP2D= 29139. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 206 RedAO= T EigKep= 9.73D-04 NBF= 206 NBsUse= 206 1.00D-06 EigRej= -1.00D+00 NBFU= 206 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= 203 204 204 204 204 MxSgAt= 35 MxSgA2= 35. 1 Closed 1 0 1 -694.454123997477 -694.562233184763 -0.108109187286 -694.758992927491 -0.196759742727 -694.764794298960 -0.005801371469 -694.769822954659 -0.005028655700 -694.770098790431 -0.000275835772 -694.770117658496 -0.000018868064 -694.770120400744 -0.000002742248 -694.770170054671 -0.000049653927 -694.770170210697 -0.000000156026 -694.770170256893 -0.000000046196 -694.770170370015 -0.000000113122 -694.770170374052 -0.000000004037 -694.770170374185 -0.000000000132 -694.770170374217 -0.000000000033 -694.770170374236 -0.000000000019 -694.770170374 16 6.918122199078e+02 -3.912275673504e+03 1.377298626715e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=231886349. IVT= 148400 IEndB= 148400 NGot= 939524096 MDV= 712072516 LenX= 712072516 LenY= 712029639 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= 21321 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 7.26026061e-01 1.10407833e-01 1.56788879e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.019006122 0.008897429 -0.011222155 -0.006057293 -0.001838204 0.005571348 -0.000670264 -0.000125828 0.004983596 0.000785193 0.001568464 -0.003120103 -0.010892255 -0.000307150 0.006574008 0.000792630 -0.000206373 0.006682049 0.012582731 -0.000431368 -0.004208554 -0.000050858 0.004857919 -0.000258290 -0.000739895 -0.003294694 0.001425082 0.003763234 -0.002293772 0.000270429 -0.001851347 0.010366672 -0.000516429 0.006328816 0.006446761 -0.005280617 0.001757215 -0.010842620 0.000746060 0.007490220 -0.005119322 -0.005184643 0.001377354 -0.010083800 0.002477349 -0.007506656 0.004340010 0.001345054 -0.007384058 -0.006697860 0.003868761 0.006203731 0.005546739 -0.004133543 -0.001047788 -0.002309488 -0.001108808 0.003727682 -0.000120749 -0.001866454 -0.000239968 -0.002295032 0.008066709 0.003574686 0.004838198 -0.003588781 0.003194290 -0.003267901 0.003233167 -0.005544133 0.002959572 0.003248007 -0.000271777 0.005752172 -0.000478773 -0.003893651 -0.001929765 0.003430419 0.004074835 -0.001267887 -0.001918320 0.000121474 0.001199238 -0.001196600 0.009465163 0.007529244 -0.005751256 0.003439861 0.002639259 -0.002794549 0.000678504 -0.005031961 0.000061122 0.004077316 -0.002527850 -0.002827798 0.000626326 -0.005366614 0.000982006 -0.004799576 0.001822845 0.000710260 -0.004105619 -0.003406286 0.001780247 0.019006122 0.004995466 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -694.777602494170 -694.777624340477 -0.000021846307 -694.777624186167 0.000000154310 -694.777624474449 -0.000000288282 -694.777624482036 -0.000000007587 -694.777624484085 -0.000000002049 -694.777624484154 -0.000000000069 -694.777624484149 0.000000000005 -694.777624484 8 6.910500401597e+02 -3.883786656548e+03 1.363484866704e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=231886349. IVT= 148400 IEndB= 148400 NGot= 939524096 MDV= 712072516 LenX= 712072516 LenY= 712029639 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= 21321 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 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 -18.755344 -9.950703 -9.914373 -9.910676 -9.908461 -9.907777 -9.907691 -9.906703 -9.905628 -9.904460 -9.902395 -9.901791 -9.901133 -9.900353 -9.899786 -9.896697 -9.886563 -0.922301 -0.781354 -0.771885 -0.734245 -0.693388 -0.675104 -0.668701 -0.662278 -0.637432 -0.578880 -0.560287 -0.545285 -0.541898 -0.518464 -0.504092 -0.462842 -0.453399 -0.448331 -0.425136 -0.408768 -0.405567 -0.392344 -0.389219 -0.378761 -0.373473 -0.370449 -0.366295 -0.357791 -0.343390 -0.331915 -0.323269 -0.316606 -0.313495 -0.309778 -0.299541 -0.294538 -0.285790 -0.281433 -0.270082 -0.227698 -0.225436 -0.220911 -0.218840 -0.207102 -0.041330 -0.037776 -0.035224 -0.031563 0.044423 0.079916 0.088484 0.090018 0.093394 0.103591 0.106993 0.117796 0.123547 0.128252 0.130983 0.138522 0.141102 0.143594 0.149308 0.155518 0.164566 0.168661 0.172236 0.179890 0.182676 0.188355 0.201831 0.204332 0.212171 0.223815 0.229422 0.235235 0.241419 0.242608 0.256296 0.264416 0.271970 0.280793 0.288442 0.295519 0.299413 0.309006 0.319099 0.322480 0.332699 0.341795 0.348054 0.352205 0.357784 0.359754 0.366124 0.369239 0.376280 0.383272 0.385155 0.391155 0.395254 0.405010 0.414717 0.418778 0.422888 0.429166 0.430830 0.439688 0.448036 0.452587 0.460676 0.468256 0.479966 0.496292 0.503749 0.510363 0.523119 0.545707 0.556481 0.561891 0.578108 0.598320 0.613338 0.617864 0.627199 0.635040 0.647339 0.653235 0.658714 0.669510 0.695726 0.717439 0.731169 0.736009 0.752031 0.797624 0.816853 0.827184 0.886234 0.906641 0.914580 0.921238 0.928369 0.935244 0.953563 0.962356 0.992296 1.010065 1.025328 1.043525 1.060769 1.069884 1.093438 1.105371 1.115625 1.120344 1.121386 1.163302 1.179266 1.191172 1.204190 1.227495 1.233027 1.266197 1.305639 1.335864 1.359260 1.389074 1.427667 1.492839 1.536326 1.749548 22.313516 22.333388 22.518360 22.539885 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C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 6 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 7 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 8 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 9 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 10 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 11 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 12 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 13 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 14 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 15 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 H 1S 2S 19 H 1S 2S 20 H 1S 2S 21 H 1S 2S 22 H 1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S 1.13238 0.85941 0.94526 0.93427 1.12954 1.08537 1.21329 0.40241 0.31734 0.44059 1.17430 0.81405 0.71993 0.62488 0.87346 0.89208 0.86095 0.08797 0.11889 0.05224 1.17433 0.81410 0.72617 0.64500 0.89985 0.87195 0.87888 0.16873 0.17814 0.13121 1.17444 0.81394 0.73729 0.64512 0.88309 0.82671 0.83735 0.12547 0.05568 0.12159 1.17443 0.81395 0.75640 0.40867 0.85468 0.91258 0.80365 -0.05431 -0.23489 0.05772 1.17427 0.81428 0.72525 0.70441 0.91556 0.89929 0.88391 0.21133 0.20660 0.17762 1.17439 0.81394 0.75796 0.39022 0.88633 0.91368 0.78683 -0.14689 -0.21535 0.13709 1.17437 0.81403 0.74988 0.54964 0.86783 0.93066 0.81821 0.09825 0.21755 0.18586 1.17440 0.81404 0.75242 0.55281 0.87751 0.91412 0.82016 0.18744 0.10908 0.24045 1.17439 0.81402 0.75183 0.55755 0.90970 0.91393 0.79107 0.19664 0.08739 0.24467 1.17438 0.81402 0.75254 0.55553 0.89014 0.94686 0.77511 0.06396 0.21547 0.19492 1.17442 0.81412 0.75476 0.53011 0.87257 0.91627 0.81394 0.14775 0.00321 0.21429 1.17442 0.81414 0.75516 0.52429 0.86106 0.93496 0.80664 0.05052 0.15696 0.15231 1.17442 0.81417 0.75448 0.53720 0.87652 0.91216 0.81499 0.15835 0.01622 0.18753 1.17441 0.81415 0.75480 0.52104 0.88881 0.93404 0.78194 -0.00083 0.16062 0.20631 1.17442 0.81414 0.75501 0.52486 0.90976 0.91264 0.78109 0.15877 -0.02818 0.22620 1.17442 0.81417 0.75510 0.53455 0.89941 0.91771 0.78460 0.10016 0.03703 0.22543 0.51607 0.24458 0.51187 0.25802 0.51420 0.30100 0.51662 0.25995 0.51116 0.27795 0.51043 0.26056 0.51085 0.27258 0.51753 0.25562 0.51594 0.24497 0.51588 0.24023 0.51316 0.22706 0.49070 0.17796 0.51637 0.25989 0.51629 0.25686 0.51588 0.25546 0.51650 0.25829 0.51629 0.26091 0.51614 0.25763 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 O C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H -0.459867 -0.218746 -0.488362 -0.220670 0.507128 -0.712510 0.501791 -0.406289 -0.442425 -0.441194 -0.382941 -0.241462 -0.230449 -0.246026 -0.235297 -0.228711 -0.242586 0.239354 0.230111 0.184801 0.223435 0.210895 0.229012 0.216578 0.226859 0.239092 0.243886 0.259784 0.331345 0.223739 0.226845 0.228655 0.225203 0.222795 0.226226 0.00000 7.06675391e-01 1.27087945e-01 3.37313652e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 1.7962 0.3230 0.8574 2.0164 -100.6015 -90.0808 -105.0883 2.6127 -10.8086 -2.0580 -2.0113 8.5094 -6.4981 2.6127 -10.8086 -2.0580 -16.2320 -15.0980 -9.1861 5.9023 -16.3234 -0.0888 12.0963 3.6600 -8.7697 -3.6314 -4123.0169 -1193.7389 -742.2893 -55.7199 -167.3458 -40.6629 -51.0913 67.2701 -15.8616 -876.1028 -881.8662 -326.1655 0.5789 -9.9183 -6.5373 0 -694.7776245 8.636E-9 1.152E-5 -1.4953476,6.3264958,-4.8311482,1.9424736,-8.0359133,-1.5300643 C01 [X(C16H18O1)] 0.7066754 0.1270879 0.3373137 @ -0.000001327 -0.000019204 0.000036306 0.000009928 -0.000003629 0.000015530 0.000009918 0.000026420 0.000023702 -0.000042587 -0.000012185 -0.000029268 -0.000034596 -0.000012135 0.000004504 -0.000002942 0.000012312 0.000020204 0.000010597 0.000027471 -0.000014584 0.000022688 -0.000011906 -0.000006703 0.000005178 0.000012247 -0.000015973 -0.000002245 -0.000006291 0.000013450 -0.000010397 -0.000002722 0.000005876 -0.000013603 0.000018406 0.000007597 0.000004337 0.000003450 -0.000011258 -0.000005834 -0.000011604 0.000005584 0.000008281 0.000006067 -0.000008351 0.000009924 -0.000012491 -0.000000070 -0.000007355 0.000011572 -0.000004233 0.000006151 -0.000013105 0.000002107 -0.000001615 -0.000009476 -0.000002098 0.000010724 -0.000008284 -0.000003550 0.000010677 0.000004245 -0.000005390 -0.000002427 -0.000007159 -0.000001498 -0.000005466 -0.000004039 -0.000008753 -0.000002975 -0.000007553 -0.000008554 0.000005676 0.000004512 0.000004295 -0.000002263 -0.000001505 0.000001955 0.000004703 -0.000002703 -0.000006161 0.000005644 0.000001974 -0.000003624 0.000015658 0.000007889 0.000000902 -0.000001066 0.000000679 0.000003469 -0.000003222 0.000001498 -0.000000846 -0.000000973 0.000002177 0.000000849 -0.000000731 0.000001987 -0.000006627 -0.000000695 0.000001077 -0.000005167 0.000002233 0.000002007 -0.000003619 208.17059999999992 AuxInfo=1/0/N:6,14,17,12,13,15,16,8,9,10,11,3,2,5,7,4,1/E:(4,5)(6,7)(8,9)(10,11)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,14.3,15.3/rA:35OCCCC3CC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;s2;s1s3;s2;s2;s4;s5;s5;s7;s7;s8;s9;s12s13;s10;s11;s15s16;s2;s3;s3;s4;s6;s6;s6;s8;s9;s10;s11;s1;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2019 CBGUSER 000246552 EM64L-G09RevD.01 25-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 99 C1[X(C16H18O)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 208.17059999999992 0 1 AuxInfo=1/0/N:6,14,17,12,13,15,16,8,9,10,11,3,2,5,7,4,1/E:(4,5)(6,7)(8,9)(10,11)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,14.3,15.3/rA:35OCCCC3CC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;s2;s1s3;s2;s2;s4;s5;s5;s7;s7;s8;s9;s12s13;s10;s11;s15s16;s2;s3;s3;s4;s6;s6;s6;s8;s9;s10;s11;s1;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-6640.inp" -scrdir="/scratch/" chk=000246552-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 000246552 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000148 0.000040 0.097286 0.029239 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -8.552817e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1134.4741695518 206 480 206 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 35 35 35 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 208.17059999999992 AuxInfo=1/0/N:6,14,17,12,13,15,16,8,9,10,11,3,2,5,7,4,1/E:(4,5)(6,7)(8,9)(10,11)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,14.3,15.3/rA:35OCCCC3CC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;s2;s1s3;s2;s2;s4;s5;s5;s7;s7;s8;s9;s12s13;s10;s11;s15s16;s2;s3;s3;s4;s6;s6;s6;s8;s9;s10;s11;s1;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.892744 0.000000 2.477237 1.553606 0.000000 1.482335 2.617823 1.553010 0.000000 4.477984 1.532810 2.576533 3.167580 0.000000 5.021152 1.553258 2.547301 3.963288 2.535414 0.000000 2.408397 3.182289 2.560274 1.521629 3.892615 4.527284 0.000000 4.744795 2.575713 3.130337 3.732493 1.420332 3.210282 4.822231 0.000000 5.373697 2.562834 3.726789 3.959158 1.418577 3.538807 4.283600 2.434666 0.000000 3.631574 3.587834 3.514596 2.553557 3.930674 5.013491 1.415932 5.020300 3.826075 0.000000 2.837964 4.064486 3.281546 2.548009 5.077146 5.131008 1.417634 6.017769 5.540213 2.442977 0.000000 5.792178 3.876387 4.474496 4.826220 2.465955 4.487366 5.857819 1.412489 2.816918 5.829691 7.154912 0.000000 6.322436 3.869623 4.913900 5.007456 2.466967 4.729147 5.425298 2.819023 1.413896 4.840186 6.760313 2.441342 0.000000 6.508877 4.389506 5.222813 5.379497 2.857138 5.123321 6.122376 2.451389 2.450237 5.758525 7.485784 1.414769 1.413460 0.000000 4.775356 4.676927 4.717482 3.854609 5.119144 5.950638 2.457833 6.316025 4.809290 1.414157 2.824953 7.091288 5.789344 6.867764 0.000000 4.198833 5.052189 4.545078 3.847841 6.044462 6.051123 2.455276 7.134185 6.260606 2.821062 1.411885 8.215098 7.470042 8.369271 2.444870 0.000000 5.007463 5.312908 5.142290 4.363649 6.065117 6.416524 2.842494 7.265736 5.953085 2.449791 2.451837 8.191384 7.052961 8.103313 1.413550 1.415505 0.000000 4.182896 1.107858 2.161227 2.808247 2.147044 2.164548 2.795602 3.454235 2.601557 2.944002 3.597981 4.611739 4.013267 4.840302 3.815293 4.340970 4.434191 0.000000 2.717947 2.183407 1.107486 2.170825 3.517220 2.708170 2.763514 4.137877 4.608433 3.901478 2.979255 5.518015 5.882311 6.268036 4.894192 4.194758 5.016828 2.518883 0.000000 2.658807 2.186300 1.111382 2.178059 2.818603 2.816939 3.497384 2.835704 4.154531 4.463885 4.208037 4.159011 5.154027 5.161397 5.739717 5.541331 6.195215 3.081811 1.780555 0.000000 2.131427 2.830727 2.180688 1.110197 2.794588 4.290977 2.162665 3.193011 3.427960 2.648545 3.438739 4.055444 4.247169 4.519517 4.054580 4.607019 4.857231 3.107597 3.084475 2.539276 0.000000 5.181754 2.207348 2.825253 4.313335 2.825705 1.106183 5.169755 2.979954 4.025314 5.773052 5.808230 4.228673 5.022703 5.112437 6.833597 6.863966 7.322693 3.097022 3.066410 2.642261 4.561090 0.000000 5.984289 2.203930 3.516155 4.801198 2.766635 1.104631 5.209202 3.525162 3.406776 5.442884 5.866277 4.589220 4.498435 5.004040 6.259180 6.632597 6.809935 2.517858 3.731865 3.830600 4.999717 1.784761 0.000000 5.112881 2.202994 2.780363 4.209547 3.500631 1.106016 4.587536 4.230654 4.450009 5.226588 4.881590 5.553794 5.723785 6.194801 6.016712 5.720887 6.238579 2.504793 2.477446 3.170373 4.781560 1.789726 1.791971 0.000000 4.491377 2.787191 2.936253 3.745522 2.184314 3.157815 5.032702 1.097277 3.434104 5.510896 6.086581 2.170033 3.916181 3.439090 6.847651 7.318114 7.651107 3.836167 3.841058 2.282555 3.398449 2.616825 3.705254 4.062500 0.000000 5.605710 2.754927 3.979604 4.129911 2.175645 3.723475 4.059612 3.430089 1.097438 3.382581 5.203000 3.914340 2.177471 3.442122 4.109839 5.704170 5.240129 2.331405 4.689671 4.645830 3.776746 4.456057 3.495038 4.451405 4.343566 0.000000 3.965893 3.516928 3.673317 2.757852 3.413761 5.014931 2.177523 4.427987 3.080598 1.097050 3.437201 5.034045 3.902330 4.816578 2.179043 3.917954 3.442504 3.020675 4.322368 4.483774 2.404552 5.696516 5.343267 5.450019 5.074572 2.765009 0.000000 2.552025 4.340642 3.262704 2.736252 5.473311 5.224704 2.170343 6.251978 6.162215 3.430369 1.094945 7.469916 7.397845 7.983261 3.919459 2.183661 3.447464 4.091304 2.720939 4.013202 3.772438 5.760652 6.091582 4.854355 6.126098 5.949778 4.334781 0.000000 0.991366 4.052298 2.598981 2.025864 4.506080 5.037069 3.273763 4.479288 5.555324 4.436906 3.771930 5.492236 6.405642 6.382241 5.665288 5.156848 5.967190 4.577263 2.943064 2.345688 2.419363 4.982459 6.040364 5.207910 4.041012 5.958190 4.612177 3.385727 0.000000 6.294356 4.751105 5.162784 5.524204 3.455019 5.228672 6.692562 2.176707 3.913111 6.767177 7.963634 1.096209 3.436201 2.179489 8.070826 9.096729 9.148151 5.582983 6.185984 4.642760 4.748440 4.771814 5.383828 6.274464 2.492569 5.010534 5.983480 8.183737 5.843068 0.000000 7.143125 4.739716 5.828914 5.802208 3.455225 5.593926 6.006366 3.915127 2.177769 5.194079 7.321947 3.437101 1.096129 2.179464 5.938127 7.868341 7.263861 4.686670 6.755206 6.166891 5.036125 5.986169 5.244794 6.539310 5.012296 2.503085 4.216952 8.064014 7.311546 4.345554 0.000000 7.432715 5.485209 6.286578 6.365157 3.952879 6.179245 7.097534 3.445248 3.444934 6.654461 8.483444 2.183244 2.182492 1.095742 7.715917 9.339394 9.003833 5.914258 7.344357 6.175470 5.439680 6.118078 6.003680 7.261332 4.342977 4.348731 5.653019 9.000620 7.272477 2.514337 2.515527 0.000000 5.725384 5.317039 5.568712 4.730345 5.538317 6.578967 3.448168 6.752932 4.949430 2.178340 3.920950 7.362111 5.751067 6.927627 1.096044 3.439887 2.179692 4.417167 5.841046 6.568466 4.742062 7.487841 6.737198 6.735267 7.415586 4.154253 2.506304 5.015329 6.578293 8.370001 5.694687 7.678935 0.000000 4.858614 5.897986 5.310155 4.722826 7.004758 6.742051 3.446488 8.074948 7.285780 3.917161 2.176158 9.210031 8.527661 9.418233 3.438562 1.096157 2.179768 5.210628 4.779050 6.260989 5.569410 7.539462 7.346790 6.262242 8.178170 6.714971 5.013978 2.515763 5.789900 10.070688 8.934784 10.403475 4.346585 0.000000 6.067607 6.287962 6.199673 5.459616 7.032784 7.313240 3.938488 8.277174 6.809112 3.444001 3.445124 9.169107 7.868393 8.992450 2.181287 2.183161 1.095997 5.344416 6.021036 7.265456 5.933191 8.266299 7.624896 7.081759 8.699155 6.002360 4.348816 4.354753 7.036613 10.149812 7.970927 9.861003 2.513729 2.513177 0.000000 C16H18O 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 0 208.17059999999992 AuxInfo=1/0/N:6,14,17,12,13,15,16,8,9,10,11,3,2,5,7,4,1/E:(4,5)(6,7)(8,9)(10,11)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,14.3,15.3/rA:35OCCCC3CC3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHH/rB:;s2;s1s3;s2;s2;s4;s5;s5;s7;s7;s8;s9;s12s13;s10;s11;s15s16;s2;s3;s3;s4;s6;s6;s6;s8;s9;s10;s11;s1;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7634281 0.2814114 0.2511041 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= 9591 NPrTT= 48616 LenC2= 8839 LenP2D= 29139. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 206 RedAO= T EigKep= 9.73D-04 NBF= 206 NBsUse= 206 1.00D-06 EigRej= -1.00D+00 NBFU= 206 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= 203 203 203 203 204 MxSgAt= 35 MxSgA2= 35. 1 Closed 1 0 1 -694.483379027412 -694.581990452132 -0.098611424720 -694.765090767168 -0.183100315036 -694.771952991432 -0.006862224265 -694.777405617082 -0.005452625650 -694.777608535919 -0.000202918838 -694.777630307540 -0.000021771620 -694.777633664397 -0.000003356858 -694.777612154625 0.000021509772 -694.777612292130 -0.000000137505 -694.777612356550 -0.000000064420 -694.777612478025 -0.000000121474 -694.777612482838 -0.000000004813 -694.777612482988 -0.000000000150 -694.777612483040 -0.000000000052 -694.777612483034 0.000000000006 -694.777612483 16 6.910500816552e+02 -3.883786739290e+03 1.363484875600e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=231886693. IVT= 148744 IEndB= 148744 NGot= 939524096 MDV= 712072172 LenX= 712072172 LenY= 712029295 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= 21321 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 35. Will process 36 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 939523536 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=231748226. 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= 21321 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 108 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 105 vectors produced by pass 0 Test12= 8.85D-15 1.00D-09 XBig12= 3.44D+02 7.28D+00. AX will form 105 AO Fock derivatives at one time. 105 vectors produced by pass 1 Test12= 8.85D-15 1.00D-09 XBig12= 6.19D+01 1.03D+00. 105 vectors produced by pass 2 Test12= 8.85D-15 1.00D-09 XBig12= 2.50D-01 4.58D-02. 105 vectors produced by pass 3 Test12= 8.85D-15 1.00D-09 XBig12= 5.26D-05 6.59D-04. 61 vectors produced by pass 4 Test12= 8.85D-15 1.00D-09 XBig12= 1.37D-08 1.03D-05. 3 vectors produced by pass 5 Test12= 8.85D-15 1.00D-09 XBig12= 1.03D-12 1.30D-07. 2 vectors produced by pass 6 Test12= 8.85D-15 1.00D-09 XBig12= 5.14D-16 1.47D-09. InvSVY: IOpt=1 It= 1 EMax= 2.49D-14 Solved reduced A of dimension 486 with 108 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 165.31 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 199.076 -1.989 181.163 33.565 4.231 115.694 334.952 -8.222 371.286 86.609 19.805 194.354 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2583.200S 2018-01-25T13:27:07.000+01:00 -18.75534 -9.95069 -9.91438 -9.91068 -9.90846 -9.90778 -9.90768 -9.90670 -9.90563 -9.90447 -9.90240 -9.90179 -9.90113 -9.90035 -9.89978 -9.89670 -9.88656 -0.92230 -0.78135 -0.77188 -0.73424 -0.69339 -0.67511 -0.66870 -0.66228 -0.63743 -0.57888 -0.56029 -0.54529 -0.54190 -0.51846 -0.50409 -0.46284 -0.45340 -0.44833 -0.42514 -0.40877 -0.40557 -0.39234 -0.38922 -0.37876 -0.37347 -0.37045 -0.36630 -0.35779 -0.34339 -0.33192 -0.32327 -0.31661 -0.31350 -0.30978 -0.29954 -0.29454 -0.28579 -0.28143 -0.27008 -0.22770 -0.22544 -0.22091 -0.21884 -0.20710 -0.04133 -0.03778 -0.03522 -0.03157 0.04442 0.07992 0.08848 0.09002 0.09339 0.10359 0.10699 0.11780 0.12355 0.12825 0.13099 0.13852 0.14110 0.14359 0.14931 0.15552 0.16456 0.16866 0.17223 0.17989 0.18268 0.18835 0.20183 0.20433 0.21217 0.22382 0.22943 0.23523 0.24142 0.24261 0.25630 0.26441 0.27197 0.28079 0.28843 0.29552 0.29942 0.30900 0.31910 0.32248 0.33270 0.34178 0.34805 0.35221 0.35779 0.35976 0.36612 0.36924 0.37628 0.38327 0.38515 0.39115 0.39524 0.40502 0.41473 0.41878 0.42288 0.42917 0.43083 0.43969 0.44803 0.45258 0.46068 0.46826 0.47995 0.49629 0.50376 0.51037 0.52311 0.54570 0.55646 0.56189 0.57812 0.59832 0.61336 0.61787 0.62720 0.63505 0.64734 0.65321 0.65870 0.66951 0.69572 0.71744 0.73116 0.73602 0.75204 0.79762 0.81685 0.82718 0.88623 0.90664 0.91458 0.92123 0.92837 0.93524 0.95357 0.96235 0.99230 1.01006 1.02534 1.04352 1.06075 1.06988 1.09344 1.10538 1.11562 1.12035 1.12138 1.16330 1.17927 1.19117 1.20420 1.22750 1.23302 1.26619 1.30563 1.33586 1.35927 1.38907 1.42767 1.49284 1.53633 1.74955 22.31351 22.33339 22.51836 22.53989 22.55435 22.56528 22.59937 22.62494 22.65631 22.65842 22.67541 22.68572 22.69348 22.70039 22.77888 22.79125 41.53435 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 O C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H -0.459919 -0.218932 -0.488219 -0.220514 0.507058 -0.712515 0.501769 -0.406293 -0.442339 -0.441073 -0.382982 -0.241480 -0.230427 -0.246023 -0.235361 -0.228754 -0.242586 0.239395 0.230073 0.184780 0.223376 0.210909 0.229026 0.216583 0.226864 0.239087 0.243857 0.259769 0.331347 0.223752 0.226828 0.228667 0.225242 0.222811 0.226224 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 O C C C C C C C C C C C C C C C C -0.128572 0.020463 -0.073367 0.002863 0.507058 -0.055997 0.501769 -0.179429 -0.203252 -0.197216 -0.123213 -0.017728 -0.003599 -0.017356 -0.010119 -0.005943 -0.016362 0.00000 -6.96153938e-01 -9.64775750e-02 3.67926746e-01 1.99075816e+02 -1.98867501e+00 1.81163154e+02 3.35653243e+01 4.23148282e+00 1.15693794e+02 -12.0688 -4.8179 0.0005 0.0007 0.0010 6.4735 20.0091 28.5970 49.7400 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 19.3044 28.2462 49.7283 56.4258 78.1012 155.2658 164.1071 199.6332 216.2735 238.0763 263.7081 282.1199 299.2544 335.2164 396.5454 403.2652 405.0920 410.0228 503.9006 546.5987 554.6228 559.3160 593.0286 616.3547 617.1419 704.4438 707.8779 736.1541 765.2675 771.4118 773.6322 851.6557 857.2970 901.5533 914.9369 921.1910 940.3477 957.5038 974.3771 978.4205 988.4394 990.1034 992.7456 993.8585 996.8195 1025.0133 1027.2775 1050.7691 1070.4214 1084.8682 1091.8512 1112.3808 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