Gaussian 09 GINC-KIMIK2029 CBGUSER 000257221 EM64L-G09RevD.01 16-Feb-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 242.16539999999986 0 1 AuxInfo=1/0/N:7,8,9,19,13,14,10,11,12,6,15,16,17,18,5,4,2,3,1/E:(1,2,3)(5,6)(7,8)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.1,18.1/rA:36OO1O1NCC3CCCC3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s5;s5;s6;s6;;s10s12;s11s12;s12;s1s15;s2s4s15;s3s4s16;s1;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s11;s13;s14;s4;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-27160.inp" -scrdir="/scratch/" chk=000257221.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 000257221 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 16 16 16 14 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 15.9949146 15.9949146 15.9949146 14.0030740 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 0 0 0 2 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 1 1 2 3 4 4 4 5 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 14 15 15 16 19 19 19 16 19 17 18 17 18 33 6 7 8 9 10 11 20 21 22 23 24 25 26 27 28 13 29 14 30 13 14 15 31 32 16 17 18 34 35 36 1.3425 1.4626 1.1993 1.2037 1.458 1.4138 1.0155 1.5309 1.5419 1.5406 1.5422 1.4002 1.4077 1.0944 1.0954 1.095 1.0953 1.0949 1.0955 1.0947 1.0949 1.0955 1.3973 1.0894 1.3915 1.0905 1.4057 1.4094 1.4554 1.0919 1.0938 1.3672 1.5025 1.536 1.0949 1.0949 1.0967 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 16 17 17 18 6 6 6 7 7 8 5 5 10 5 5 5 20 20 21 5 5 5 23 23 24 5 5 5 26 26 27 6 6 13 6 6 14 13 13 14 10 10 12 11 11 12 12 12 16 1 1 15 2 2 4 3 3 4 1 1 1 34 34 35 1 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 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 18 18 18 19 19 19 19 19 19 19 18 33 33 7 8 9 8 9 9 10 11 11 20 21 22 21 22 22 23 24 25 24 25 25 26 27 28 27 28 28 13 29 29 14 30 30 14 15 15 12 31 31 12 32 32 16 17 17 15 18 18 4 15 15 4 16 16 34 35 36 35 36 36 117.0243 111.7793 123.9626 124.2581 107.8059 112.2083 109.5836 109.0604 110.0572 108.1202 122.43 119.3956 118.1577 111.3334 111.2394 111.7237 107.6452 107.4535 107.2249 111.4627 111.8865 110.9926 108.0615 107.2346 106.9695 111.2776 112.0318 111.1476 107.1088 107.6134 107.4299 120.997 120.5731 118.4298 121.2559 119.7233 119.0208 118.4748 120.3822 121.1429 120.6818 119.1262 120.1919 120.4295 119.3671 120.2034 129.2213 122.6354 108.1433 124.031 125.2754 110.6936 121.0694 133.3407 105.5899 126.2566 129.9495 103.7939 110.1484 110.1444 101.3053 111.0574 111.8979 111.8916 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 19 19 16 16 16 18 18 33 33 17 17 33 33 7 7 8 8 9 9 6 6 6 8 8 8 9 9 9 6 6 6 7 7 7 9 9 9 6 6 6 7 7 7 8 8 8 5 5 11 11 5 5 10 10 6 6 29 29 6 6 30 30 14 14 15 15 13 13 15 15 13 13 14 14 12 12 17 17 12 12 16 16 1 1 15 15 1 1 1 1 1 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 16 16 16 16 16 16 19 19 19 17 17 17 17 18 18 18 18 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 13 13 13 13 14 14 14 14 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 15 18 34 35 36 2 15 2 15 3 16 3 16 10 11 10 11 10 11 20 21 22 20 21 22 20 21 22 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 13 29 13 29 14 30 14 30 12 31 12 31 12 32 12 32 10 31 10 31 11 32 11 32 16 17 16 17 1 18 1 18 2 4 2 4 3 4 3 4 179.8858 -0.1371 61.421 -61.4161 -179.9931 -179.9887 0.0113 -0.0082 179.9918 179.991 -0.0131 0.0106 -179.9935 106.7833 -71.7033 -13.3227 168.1907 -133.4419 48.0714 -179.6898 -59.6283 60.1632 -57.6177 62.4438 -177.7646 60.8356 -179.1029 -59.3114 -58.9075 62.2209 -178.3701 -178.2816 -57.1533 62.2557 62.0586 -176.8131 -57.4041 176.4462 -63.6746 56.5244 -65.1676 54.7116 174.9106 53.8622 173.7414 -66.0596 -179.1436 0.7084 -0.6392 179.2128 179.169 -0.8558 0.6178 -179.4069 0.2463 -179.8161 -179.6088 0.3288 -0.1996 179.8545 179.8249 -0.121 0.1843 -179.7526 -179.8942 0.1689 -0.2067 179.7388 179.8725 -0.1821 0.5436 -179.4739 -179.537 0.4454 -0.0393 179.9807 179.9763 -0.0037 0.0101 -179.9899 179.9958 -0.0042 0.0264 -179.9693 -179.994 0.0103 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 197 216 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 36 36 36 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= 11026 NPrTT= 56395 LenC2= 9577 LenP2D= 30979. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 224 RedAO= T EigKep= 4.29D-04 NBF= 224 NBsUse= 224 1.00D-06 EigRej= -1.00D+00 NBFU= 224 Using GEDIIS/GDIIS optimizer. local minimum Step number 8 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00186 0.00234 0.00245 0.00328 0.00830 0.00862 0.00920 0.01220 0.01252 0.01358 0.01508 0.01574 0.01791 0.01906 0.01986 0.02031 0.02073 0.02082 0.02099 0.02124 0.02127 0.02392 0.04478 0.04592 0.05148 0.05272 0.05314 0.05341 0.05386 0.05519 0.05524 0.05563 0.10015 0.10675 0.13152 0.14766 0.15442 0.15843 0.15963 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16021 0.16046 0.16098 0.16652 0.22004 0.22159 0.22945 0.24270 0.24356 0.24934 0.24990 0.25000 0.25094 0.25716 0.26645 0.27902 0.28380 0.28541 0.29673 0.30949 0.33329 0.34030 0.34062 0.34138 0.34190 0.34200 0.34206 0.34226 0.34241 0.34252 0.34255 0.34298 0.34307 0.34410 0.34733 0.34781 0.34992 0.35438 0.38379 0.40162 0.40764 0.41098 0.41349 0.44235 0.45020 0.45144 0.45706 0.46549 0.48061 0.51880 0.60000 0.82074 1.03917 RFO step: Lambda=-7.20233347D-07. 1 2 0.00084846 0.00000094 0.00000095 0.00000076 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 2.59313 2.80911 2.37419 2.37943 2.69499 2.65068 1.92747 2.91994 2.94725 2.92983 2.94661 2.68155 2.68968 2.09026 2.08864 2.08719 2.08964 2.08955 2.08885 2.09041 2.08708 2.08871 2.66184 2.06751 2.65395 2.07160 2.69630 2.70139 2.77173 2.06406 2.06557 2.63069 2.85035 2.86040 2.08164 2.08176 2.07793 2.10567 1.94910 2.15865 2.17543 1.90748 1.96276 1.90681 1.89009 1.90603 1.88994 2.14773 2.09530 2.04016 1.92111 1.93490 1.94964 1.89051 1.88340 1.88236 1.95124 1.95086 1.91262 1.89165 1.87697 1.87757 1.92200 1.94980 1.93485 1.88320 1.89037 1.88164 2.12576 2.09229 2.06513 2.13055 2.08812 2.06452 2.04920 2.11643 2.11756 2.11251 2.08759 2.08308 2.10819 2.09427 2.08072 2.26001 2.17173 1.85145 2.18030 2.17391 1.92897 2.14114 2.27484 1.86721 2.20089 2.25425 1.82805 1.93105 1.93128 1.81166 1.90929 1.93974 1.93951 -3.13984 0.00016 1.05675 -1.06232 3.13889 3.14076 0.00014 -0.00194 3.14063 3.14020 0.00061 -0.00027 -3.13986 2.09418 -1.04860 -0.00546 3.13495 -2.10446 1.03595 3.12057 -1.07129 1.02864 -1.01902 1.07230 -3.11095 1.03553 3.12686 -1.05639 -1.06521 1.05893 3.13871 3.10833 -1.05072 1.02906 1.04351 -3.11555 -1.03576 -3.12463 -1.03225 1.06685 -1.03918 1.05320 -3.13089 1.01547 3.10785 -1.07624 3.13979 -0.00122 -0.00065 3.14153 -3.13954 0.00045 0.00093 3.14093 -0.00023 -3.14133 3.14079 -0.00031 -0.00034 3.14007 -3.14036 0.00006 0.00082 -3.14126 -3.14010 0.00100 -0.00055 -3.14097 3.14038 -0.00004 -0.00795 3.13235 3.13433 -0.00855 -0.00121 -3.14141 3.14149 0.00130 0.00121 -3.14146 -3.14142 -0.00090 0.00226 -3.14142 -3.14073 -0.00122 0.00017 -0.00001 -0.00005 0.00003 0.00002 -0.00019 0.00006 0.00010 -0.00008 0.00001 0.00004 0.00006 0.00004 0.00009 0.00005 0.00007 0.00004 0.00003 0.00006 0.00007 0.00003 0.00003 0.00006 0.00002 0.00006 0.00003 0.00002 0.00002 0.00007 0.00000 0.00001 -0.00012 0.00001 0.00010 0.00004 0.00002 0.00002 -0.00007 0.00001 0.00002 -0.00002 -0.00001 0.00001 0.00001 0.00001 0.00000 -0.00002 0.00003 0.00002 -0.00005 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00003 0.00001 -0.00003 0.00001 0.00005 0.00000 -0.00003 -0.00001 -0.00001 0.00000 0.00002 0.00002 0.00002 0.00002 -0.00004 0.00002 0.00000 -0.00002 -0.00002 0.00009 -0.00008 0.00001 -0.00001 0.00000 0.00001 -0.00002 0.00001 0.00009 -0.00006 -0.00003 0.00014 -0.00015 0.00001 0.00004 -0.00005 0.00001 0.00010 -0.00010 0.00000 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00003 0.00005 0.00000 -0.00001 -0.00001 0.00005 -0.00001 0.00005 -0.00001 0.00005 -0.00002 0.00005 -0.00002 0.00001 0.00002 0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00001 0.00001 0.00000 0.00002 0.00002 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00002 0.00000 0.00000 -0.00002 0.00000 0.00001 0.00002 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00003 -0.00003 -0.00005 -0.00004 0.00002 -0.00002 0.00004 -0.00005 0.00003 -0.00003 0.00005 0.00002 -0.00004 0.00012 0.00017 -0.00001 -0.00022 0.00001 -0.00004 0.00010 0.00003 -0.00009 0.00004 -0.00002 0.00003 0.00001 0.00003 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 -0.00003 0.00001 0.00001 0.00002 0.00002 -0.00006 -0.00007 -0.00001 0.00004 0.00002 -0.00019 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00005 -0.00010 0.00015 -0.00041 -0.00001 0.00037 0.00010 -0.00002 -0.00003 -0.00005 0.00004 0.00000 0.00005 -0.00003 -0.00020 0.00003 0.00012 0.00004 -0.00007 0.00005 -0.00007 0.00002 0.00015 -0.00008 -0.00011 0.00012 0.00004 -0.00011 0.00000 0.00005 0.00002 0.00000 -0.00002 -0.00001 0.00006 -0.00005 0.00005 0.00017 -0.00023 -0.00005 0.00003 0.00002 -0.00001 0.00002 -0.00001 0.00024 -0.00022 -0.00002 0.00015 -0.00008 -0.00007 0.00005 -0.00013 0.00007 0.00011 -0.00017 0.00006 0.00000 0.00000 -0.00010 -0.00001 0.00006 0.00005 -0.00031 -0.00026 0.00006 0.00007 0.00008 0.00024 0.00011 0.00027 0.00014 0.00040 -0.00021 0.00036 -0.00025 -0.00150 -0.00068 -0.00134 -0.00052 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0.00022 -0.00014 -0.00005 0.00085 0.00246 -0.00045 -0.00080 -0.00067 0.00381 -0.00023 0.00408 0.00004 0.00352 -0.00112 0.00325 -0.00139 -0.00029 0.00004 -0.00048 -0.00015 -0.00039 -0.00005 -0.00135 -0.00129 -0.00128 -0.00125 -0.00119 -0.00117 -0.00120 -0.00114 -0.00112 0.00092 0.00090 0.00062 0.00077 0.00075 0.00046 0.00075 0.00073 0.00044 -0.00036 -0.00079 -0.00036 -0.00039 -0.00082 -0.00039 -0.00027 -0.00069 -0.00027 0.00028 0.00050 -0.00005 0.00017 -0.00032 -0.00022 -0.00001 0.00009 0.00011 0.00023 -0.00011 0.00001 0.00000 0.00016 -0.00010 0.00007 -0.00011 -0.00023 -0.00015 -0.00027 0.00006 -0.00010 0.00010 -0.00007 -0.00030 0.00083 -0.00033 0.00080 0.00006 -0.00135 -0.00091 -0.00232 -0.00377 0.00070 -0.00286 0.00160 -0.00403 0.00080 -0.00263 0.00220 2.59354 2.80909 2.37395 2.37926 2.69527 2.65026 1.92768 2.92033 2.94686 2.92993 2.94678 2.68177 2.68986 2.09059 2.08887 2.08747 2.08982 2.08971 2.08908 2.09069 2.08727 2.08888 2.66203 2.06761 2.65413 2.07169 2.69634 2.70149 2.77192 2.06417 2.06561 2.63020 2.85051 2.86119 2.08180 2.08187 2.07802 2.10595 1.94921 2.15881 2.17517 1.90754 1.96275 1.90668 1.89021 1.90599 1.88994 2.14782 2.09539 2.03998 1.92107 1.93506 1.94968 1.89050 1.88333 1.88226 1.95112 1.95083 1.91239 1.89172 1.87739 1.87748 1.92168 1.94974 1.93491 1.88307 1.89050 1.88198 2.12584 2.09253 2.06481 2.13065 2.08816 2.06438 2.04918 2.11649 2.11751 2.11253 2.08754 2.08312 2.10819 2.09405 2.08094 2.25990 2.17175 1.85154 2.18046 2.17376 1.92896 2.14128 2.27476 1.86713 2.20125 2.25399 1.82794 1.93113 1.93131 1.81152 1.90951 1.93959 1.93945 -3.13898 0.00262 1.05630 -1.06312 3.13822 -3.13861 -0.00008 0.00214 3.14066 -3.13947 -0.00051 0.00298 -3.14125 2.09388 -1.04856 -0.00594 3.13480 -2.10485 1.03590 3.11921 -1.07259 1.02737 -1.02027 1.07111 -3.11212 1.03433 3.12572 -1.05751 -1.06428 1.05983 3.13933 3.10910 -1.04997 1.02952 1.04426 -3.11482 -1.03532 -3.12499 -1.03304 1.06650 -1.03958 1.05238 -3.13127 1.01519 3.10715 -1.07650 3.14007 -0.00072 -0.00070 -3.14148 -3.13987 0.00023 0.00093 3.14102 -0.00011 -3.14110 3.14069 -0.00030 -0.00035 3.14024 -3.14046 0.00012 0.00071 -3.14149 -3.14025 0.00074 -0.00048 -3.14107 3.14048 -0.00011 -0.00825 3.13318 3.13400 -0.00775 -0.00116 3.14043 3.14058 -0.00102 -0.00256 -3.14076 3.13890 0.00070 -0.00177 -3.14062 3.13983 0.00098 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000186 0.000041 0.003806 0.000848 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.365340e-06 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 1 1 2 3 4 4 4 5 5 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 14 15 15 16 19 19 19 16 19 17 18 17 18 33 6 7 8 9 10 11 20 21 22 23 24 25 26 27 28 13 29 14 30 13 14 15 31 32 16 17 18 34 35 36 1.3722 1.4865 1.2564 1.2591 1.4261 1.4027 1.02 1.5452 1.5596 1.5504 1.5593 1.419 1.4233 1.1061 1.1053 1.1045 1.1058 1.1057 1.1054 1.1062 1.1044 1.1053 1.4086 1.0941 1.4044 1.0962 1.4268 1.4295 1.4667 1.0923 1.0931 1.3921 1.5083 1.5137 1.1016 1.1016 1.0996 -DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0002|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 16 17 17 18 6 6 6 7 7 8 5 5 10 5 5 5 20 20 21 5 5 5 23 23 24 5 5 5 26 26 27 6 6 13 6 6 14 13 13 14 10 10 12 11 11 12 12 12 16 1 1 15 2 2 4 3 3 4 1 1 1 34 34 35 1 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 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 18 18 18 19 19 19 19 19 19 19 18 33 33 7 8 9 8 9 9 10 11 11 20 21 22 21 22 22 23 24 25 24 25 25 26 27 28 27 28 28 13 29 29 14 30 30 14 15 15 12 31 31 12 32 32 16 17 17 15 18 18 4 15 15 4 16 16 34 35 36 35 36 36 120.6459 111.6754 123.6816 124.643 109.2905 112.4579 109.2523 108.2941 109.2074 108.2855 123.0556 120.0519 116.8925 110.0715 110.8616 111.7059 108.3181 107.9109 107.8513 111.7978 111.7762 109.585 108.3835 107.5423 107.5769 110.1226 111.7153 110.8586 107.8996 108.3104 107.8102 121.7971 119.8795 118.3234 122.0713 119.6403 118.2883 117.4107 121.2623 121.327 121.0379 119.6103 119.3518 120.7906 119.9931 119.2163 129.4888 124.4308 106.0803 124.9223 124.556 110.5217 122.6782 130.3386 106.9831 126.1016 129.1588 104.7395 110.6413 110.654 103.8004 109.3941 111.1387 111.1255 -DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 19 19 16 16 16 18 18 33 33 17 17 33 33 7 7 8 8 9 9 6 6 6 8 8 8 9 9 9 6 6 6 7 7 7 9 9 9 6 6 6 7 7 7 8 8 8 5 5 11 11 5 5 10 10 6 6 29 29 6 6 30 30 14 14 15 15 13 13 15 15 13 13 14 14 12 12 17 17 12 12 16 16 1 1 15 1 1 1 1 1 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 12 12 12 12 15 15 15 15 15 15 15 15 16 16 16 16 16 19 19 19 17 17 17 17 18 18 18 18 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 13 13 13 13 14 14 14 14 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 15 18 34 35 36 2 15 2 15 3 16 3 16 10 11 10 11 10 11 20 21 22 20 21 22 20 21 22 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 13 29 13 29 14 30 14 30 12 31 12 31 12 32 12 32 10 31 10 31 11 32 11 32 16 17 16 17 1 18 1 18 2 4 2 4 3 4 3 -179.8995 0.0093 60.5472 -60.8665 179.8449 -180.0475 0.0083 -0.1111 179.9446 -180.0797 0.0349 -0.0154 -179.9008 119.9875 -60.0804 -0.3129 179.6192 -120.5765 59.3556 178.7954 -61.3806 58.9369 -58.3857 61.4384 -178.2441 59.3317 179.1557 -60.5268 -61.0319 60.672 179.8349 178.0941 -60.202 58.9608 59.7885 -178.5076 -59.3447 -179.0282 -59.1435 61.1262 -59.5409 60.3438 -179.3865 58.1819 178.0665 -61.6638 179.8968 -0.0697 -0.0372 -180.0038 -179.8827 0.0259 0.0535 179.962 -0.0129 -179.985 179.9542 -0.0179 -0.0196 179.9129 -179.9294 0.0032 0.0472 -179.9807 -179.9147 0.0575 -0.0313 -179.9643 179.9306 -0.0025 -0.4555 179.4705 179.5842 -0.4898 -0.0695 180.0107 179.994 0.0742 0.0692 -179.9924 180.0098 -0.0518 0.1295 -179.9899 180.0496 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-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 0 242.16539999999986 AuxInfo=1/0/N:7,8,9,19,13,14,10,11,12,6,15,16,17,18,5,4,2,3,1/E:(1,2,3)(5,6)(7,8)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.1,18.1/rA:36OO1O1NCC3CCCC3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s5;s5;s6;s6;;s10s12;s11s12;s12;s1s15;s2s4s15;s3s4s16;s1;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s11;s13;s14;s4;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.773705 0.000000 3.089042 4.600543 0.000000 3.620769 2.317042 2.336811 0.000000 6.723839 6.787846 9.247600 8.068572 0.000000 5.303600 5.399693 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34.3657 43.5264 19.1063 15.6225 31.3955 0.6933 7.1295 1.1789 -7497.8219 -1439.1126 -328.0657 218.5467 131.4228 -57.5627 -55.4714 97.5651 -67.5671 -1313.5832 -1273.0959 -300.4882 -11.1254 8.9006 13.2962 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 0 242.16539999999986 AuxInfo=1/0/N:7,8,9,19,13,14,10,11,12,6,15,16,17,18,5,4,2,3,1/E:(1,2,3)(5,6)(7,8)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.1,18.1/rA:36OO1O1NCC3CCCC3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s5;s5;s6;s6;;s10s12;s11s12;s12;s1s15;s2s4s15;s3s4s16;s1;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s11;s13;s14;s4;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.852435 0.000000 3.090940 4.681328 0.000000 3.633174 2.355227 2.373663 0.000000 6.864751 6.867238 9.377475 8.154273 0.000000 5.429991 5.466994 7.843740 6.623241 1.545167 0.000000 7.716113 7.240408 10.076037 8.710047 1.559618 2.532230 0.000000 7.121651 8.031827 9.919477 9.017967 1.550400 2.573240 2.520747 0.000000 7.722609 7.223158 10.074195 8.700734 1.559278 2.531353 2.542416 2.520335 0.000000 4.298036 5.531690 7.001884 6.172673 2.606355 1.419016 3.655876 2.921606 3.659290 0.000000 5.482055 4.321361 7.418420 5.840803 2.572173 1.423315 3.092906 3.901888 3.085517 2.422092 0.000000 3.110399 3.160972 5.010489 3.769571 4.436785 2.892005 5.155868 5.250961 5.152294 2.468290 2.463997 0.000000 2.966960 4.578795 5.593298 4.866924 3.903273 2.470650 4.818609 4.328389 4.819660 1.408586 2.805937 1.426821 0.000000 4.529653 2.998985 6.116210 4.441794 3.879249 2.474053 4.402091 5.045940 4.394963 2.811879 1.404409 1.429513 2.440759 0.000000 2.451139 2.511347 3.608442 2.359142 5.903488 4.358741 6.573784 6.677140 6.569068 3.814173 3.810837 1.466738 2.521757 2.524894 0.000000 1.372225 3.549243 2.506721 2.310637 6.878686 5.351907 7.625647 7.424204 7.625414 4.503229 5.045322 2.585769 3.095897 3.853523 1.392101 0.000000 3.655695 1.256367 3.553021 1.426128 6.863571 5.359199 7.381843 7.838370 7.370318 5.100108 4.467307 2.632142 3.928570 3.062909 1.508340 2.318671 0.000000 2.555473 3.528748 1.259142 1.402680 8.243276 6.700398 8.915665 8.885345 8.912274 5.966069 6.195390 3.828046 4.568616 4.872754 2.388826 1.513657 2.340735 0.000000 1.486516 6.013439 2.886038 4.337955 8.231422 6.844988 9.098178 8.342731 9.107347 5.631931 6.963880 4.594276 4.374909 6.008383 3.797970 2.484404 4.764235 2.988685 0.000000 8.740629 8.292331 11.162448 9.804090 2.200000 3.498151 1.106117 2.743696 2.774947 4.578767 4.111209 6.228733 5.825076 5.460386 7.659603 8.699412 8.467213 10.006346 10.100851 0.000000 7.433429 7.302479 9.830228 8.598251 2.209466 2.796495 1.105262 2.780799 3.515432 3.608353 3.431142 5.112221 4.686246 4.549198 6.467254 7.419276 7.340773 8.717270 8.756942 1.792645 0.000000 7.875184 6.700061 9.969476 8.389912 2.219568 2.789061 1.104492 3.502221 2.808941 4.079793 2.801186 5.066968 5.040490 4.065965 6.415397 7.590511 7.014321 8.764635 9.309445 1.787409 1.786041 0.000000 6.837725 8.125066 9.698415 8.944134 2.213538 2.860443 3.505891 1.105791 2.778497 2.878362 4.212138 5.240692 4.202694 5.213499 6.604864 7.240942 7.834956 8.717001 7.989482 3.764081 3.812271 4.386432 0.000000 6.825746 8.131680 9.693462 8.945080 2.213232 2.857283 2.781946 1.105744 3.505373 2.868962 4.213091 5.237774 4.195453 5.213781 6.602533 7.234844 7.837590 8.713377 7.975156 3.101761 2.584268 3.813605 1.793511 0.000000 8.224872 8.979986 11.020855 10.072513 2.185067 3.521932 2.738140 1.105373 2.741003 4.019818 4.737562 6.303109 5.428079 5.981201 7.744289 8.522936 8.860078 9.977168 9.432845 2.495317 3.109864 3.754814 1.783664 1.784020 0.000000 8.745925 8.278380 11.160763 9.796335 2.200418 3.497990 2.777403 2.742357 1.106199 4.581163 4.106903 6.226133 5.825729 5.455637 7.655881 8.699182 8.457873 10.003461 10.108468 2.550159 3.793189 3.146143 3.094319 3.764946 2.497417 0.000000 7.884303 6.683096 9.970245 8.382500 2.219342 2.789788 2.807473 3.501857 1.104435 4.084810 2.794594 5.065632 5.043799 4.060204 6.412947 7.592876 7.004281 8.763725 9.321270 3.140706 3.830644 2.621991 3.811672 4.385972 3.756086 1.787302 0.000000 7.442841 7.269191 9.824025 8.578531 2.209154 2.793327 3.515534 2.782194 1.105299 3.612979 3.416618 5.103061 4.686043 4.533936 6.455875 7.416072 7.317248 8.708217 8.771358 3.792184 4.380471 3.830849 2.582519 3.811448 3.117189 1.792654 1.785560 0.000000 4.660428 6.571087 7.581661 7.021215 2.828176 2.181166 3.935562 2.521858 3.942850 1.094082 3.423539 3.445350 2.154874 3.905709 4.675432 5.143112 6.050277 6.648986 5.828979 4.694571 3.803631 4.600044 2.304868 2.288459 3.604400 4.699777 4.608032 3.816407 0.000000 6.522573 4.674538 8.267442 6.498382 2.766137 2.184235 2.939482 4.279826 2.927087 3.423330 1.096244 3.444339 3.901987 2.152523 4.676014 5.983086 5.080484 7.020902 8.008469 3.834436 3.493068 2.313758 4.715559 4.719633 4.920403 3.826943 2.298651 3.471983 4.343573 0.000000 2.199342 5.121420 5.141013 4.900727 4.772671 3.451827 5.720083 4.924939 5.722926 2.167375 3.898132 2.180977 1.092256 3.434987 2.740050 2.781967 4.246892 4.292904 3.468224 6.687372 5.487522 6.037455 4.667400 4.657965 6.027050 6.689241 6.042537 5.490927 2.467390 4.994226 0.000000 5.066225 2.213533 6.106171 4.115734 4.740467 3.458315 5.090783 6.021506 5.080774 3.904897 2.168387 2.182577 3.434396 1.093053 2.741971 4.133548 2.690696 4.848190 6.495193 6.118517 5.281276 4.548087 6.225158 6.227467 6.899051 6.111524 4.538605 5.260967 4.998760 2.470411 4.344229 0.000000 4.587812 2.678269 2.730230 1.019975 9.023544 7.509827 9.521023 9.953335 9.509031 7.141409 6.626455 4.705328 5.861290 5.222760 3.341628 3.302927 2.165083 2.152779 5.138792 10.610804 9.428263 9.123251 9.899548 9.902428 10.992895 10.600699 9.112866 9.403785 8.015982 7.185669 5.920474 4.734433 0.000000 2.139541 6.151067 2.626457 4.310555 8.828000 7.420991 9.549020 8.989805 9.792893 6.259440 7.454979 5.064659 4.981305 6.434007 4.136209 2.808309 4.911796 2.959883 1.101557 10.574868 9.117056 9.712313 8.739871 8.540464 10.078587 10.795664 9.962183 9.550293 6.500299 8.469912 4.143687 6.830342 5.007502 0.000000 2.139747 6.154800 2.630214 4.314788 8.826349 7.420403 9.785881 8.982823 9.557150 6.255555 7.458155 5.066227 4.977643 6.438591 4.138872 2.810640 4.915307 2.964249 1.101619 10.788974 9.538260 9.956063 8.543941 8.717890 10.072341 10.580698 9.726862 9.127755 6.493209 8.474483 4.135328 6.837474 5.011628 1.798030 0.000000 2.049061 6.867637 3.979332 5.363871 8.166104 6.894228 9.081709 8.072073 9.095954 5.570244 7.231992 5.020408 4.483294 6.448840 4.500190 3.324073 5.642709 4.051051 1.099592 10.026318 8.704319 9.420292 7.660953 7.641931 9.131896 10.038318 9.436937 8.728386 5.557478 8.312691 3.443026 7.076361 6.203645 1.815533 1.815441 0.000000 0.8276794 0.1757780 0.1500177 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= 217 217 217 217 217 MxSgAt= 36 MxSgA2= 36. 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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 36 36 36 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= 11026 NPrTT= 56395 LenC2= 9513 LenP2D= 30698. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 224 RedAO= T EigKep= 4.62D-04 NBF= 224 NBsUse= 224 1.00D-06 EigRej= -1.00D+00 NBFU= 224 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= 217 217 217 217 217 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -860.661909421034 -860.793480610408 -0.131571189374 -860.942561111269 -0.149080500861 -860.159629453882 0.782931657387 -861.040307656373 -0.880678202490 -861.093522694132 -0.053215037759 -861.105522537854 -0.011999843722 -861.106273788794 -0.000751250941 -861.106299114259 -0.000025325465 -861.106315415494 -0.000016301235 -861.106317671648 -0.000002256154 -861.106502690236 -0.000185018588 -861.106503109013 -0.000000418777 -861.106503031889 0.000000077124 -861.106503129458 -0.000000097569 -861.106503133013 -0.000000003555 -861.106503133645 -0.000000000632 -861.106503133769 -0.000000000124 -861.106503133797 -0.000000000028 -861.106503134 19 8.579317247569e+02 -4.776421437736e+03 1.673419880378e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=323399638. IVT= 171838 IEndB= 171838 NGot= 939524096 MDV= 621819659 LenX= 621819659 LenY= 621769042 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= 25200 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -2.74747251e-01 -9.62429778e-01 -8.89306997e-02 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 8 8 8 7 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 -0.002466750 -0.010790958 -0.001117426 -0.032987854 0.075903613 0.009509892 0.071468794 -0.037371064 -0.006180730 -0.011279834 -0.011855087 -0.001048348 -0.001901924 -0.002563761 -0.002126792 -0.012497836 0.000580155 -0.000911383 -0.001643589 0.000951694 0.003585385 0.000310944 -0.000646421 0.000375988 -0.001053805 0.002538261 -0.001301363 0.002145525 -0.007774118 -0.000655138 -0.001857784 0.004674940 0.001300878 0.012621280 -0.000627054 -0.000501178 -0.001350111 -0.014818753 -0.001173521 -0.000160954 0.014793661 0.001815485 -0.010280903 0.017920214 0.002220397 0.013078383 0.018544800 0.001818285 0.049841834 -0.073701746 -0.009706803 -0.072220845 0.044435047 0.007043223 -0.005712735 -0.013963709 -0.001417885 -0.008273277 -0.000605704 -0.000657897 0.003078567 -0.004905097 0.003513188 0.002374548 0.006287212 0.001421109 0.002620626 -0.001383932 -0.006406538 0.001936498 -0.005001444 0.004369073 -0.006501819 0.001816079 0.001054918 -0.007404100 -0.001616108 0.001277681 0.000927350 0.005653453 0.001658248 0.002547780 -0.001301836 -0.005975726 -0.001517554 -0.002291346 -0.000897950 -0.000906132 0.002890618 0.000330537 0.000030939 0.001355348 0.000111916 0.000524765 -0.001311806 -0.000141808 0.002531710 0.003300170 0.000300394 0.004241054 -0.001991232 0.001745935 0.004121920 -0.001528124 -0.002412107 0.005615291 -0.005595966 -0.000819939 0.075903613 0.017159058 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -861.122422284961 -861.122468569740 -0.000046284778 -861.122461965969 0.000006603771 -861.122469157916 -0.000007191948 -861.122684285428 -0.000215127512 -861.122683917978 0.000000367450 -861.122684429560 -0.000000511582 -861.122684657835 -0.000000228276 -861.122684739247 -0.000000081412 -861.122684741245 -0.000000001998 -861.122684741681 -0.000000000436 -861.122684741679 0.000000000001 -861.122684741695 -0.000000000015 -861.122684742 13 8.569245625246e+02 -4.740121656195e+03 1.655883751594e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=323399638. IVT= 171838 IEndB= 171838 NGot= 939524096 MDV= 621819659 LenX= 621819659 LenY= 621769042 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= 25200 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V 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3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 6 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 7 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 8 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 9 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 10 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 11 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 12 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 13 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 14 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 15 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 20 H 1S 2S 21 H 1S 2S 22 H 1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S 1.13230 0.85939 0.94492 0.89291 1.16612 0.99545 1.27292 0.35967 0.18187 0.45315 1.13254 0.85913 0.97720 0.86526 1.29678 1.07611 0.99643 0.41683 0.23693 0.36015 1.13254 0.85912 0.97763 0.86207 1.09807 1.26226 1.00726 0.25728 0.39350 0.36853 1.15916 0.83107 0.82794 0.72303 0.98262 0.98376 1.15804 0.14781 0.13650 0.46310 1.17439 0.81396 0.72501 0.51826 0.84713 0.86213 0.85368 0.06049 0.00615 0.00932 1.17445 0.81386 0.75651 0.44016 0.90541 0.91200 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1.17438 0.81427 0.75384 0.68758 0.81881 0.82339 0.97986 0.11092 0.12680 0.20098 0.51097 0.28071 0.51064 0.26611 0.51304 0.26835 0.51148 0.27149 0.51158 0.27182 0.51131 0.27038 0.51093 0.28078 0.51310 0.26869 0.51061 0.26596 0.51875 0.23451 0.51763 0.25441 0.51322 0.20759 0.50973 0.20411 0.48140 0.16970 0.51005 0.24064 0.51004 0.24073 0.51312 0.25464 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 O O O N 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 -0.258700 -0.217362 -0.218260 -0.413039 0.129499 0.513977 -0.698797 -0.748421 -0.699150 -0.432599 -0.416554 0.382110 -0.410826 -0.428566 0.029298 0.054423 0.123944 0.128077 -0.490841 0.208314 0.223258 0.218611 0.217032 0.216604 0.218307 0.208287 0.218209 0.223432 0.246737 0.227957 0.279188 0.286164 0.348900 0.249311 0.249233 0.232243 0.00000 -3.54788725e-01 -1.00042054e+00 -1.66418997e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.9018 -2.5428 -0.4230 2.7309 -105.2628 -107.4286 -114.1767 -2.5964 -0.6125 1.6039 3.6933 1.5274 -5.2206 -2.5964 -0.6125 1.6039 -21.3393 -44.6435 29.0396 45.2789 18.6321 15.3168 30.1066 -1.6309 0.9604 2.2820 -7735.5401 -1455.2899 -352.7978 223.2421 147.3192 -75.2793 -90.2550 103.0220 -107.8917 -1335.9410 -1317.6672 -306.2100 -11.3763 3.2034 15.1340 0 -861.1226847 5.876E-9 7.84E-5 2.7458546,1.1355664,-3.881421,-1.9303731,-0.4553457,1.1924678 C01 [X(C15H17N1O3)] -0.3547887 -1.0004205 -0.166419 @ 0.000049677 -0.000194310 -0.000090482 -0.000022145 -0.000045470 -0.000083180 -0.000011602 -0.000106961 0.000084656 -0.000061895 -0.000233861 -0.000017762 -0.000097638 0.000009132 0.000114790 -0.000012002 0.000026913 -0.000036868 0.000081115 -0.000054940 -0.000130574 0.000003507 -0.000013079 -0.000043960 0.000046567 0.000008863 -0.000060727 -0.000016113 0.000009845 0.000028445 -0.000003487 -0.000022333 0.000014856 -0.000022961 -0.000038556 -0.000011090 0.000014611 -0.000019153 0.000015518 0.000074884 0.000020858 -0.000013988 0.000140517 -0.000060106 -0.000083464 -0.000241565 0.000217317 0.000177461 0.000025008 0.000034243 0.000230807 0.000128134 0.000342867 -0.000231156 -0.000015167 0.000045369 0.000022848 -0.000086180 0.000000726 -0.000003321 0.000011355 -0.000027957 0.000041126 0.000029744 0.000059638 0.000014819 0.000058604 0.000002510 -0.000034399 -0.000015197 -0.000013358 0.000031628 -0.000059336 0.000021829 0.000025660 -0.000072856 -0.000001472 0.000019577 -0.000010499 0.000036115 0.000031430 0.000011960 -0.000018073 -0.000022161 0.000017797 -0.000021664 -0.000030682 -0.000005301 0.000028344 0.000006392 -0.000003839 0.000002208 -0.000012186 -0.000008822 0.000013875 0.000014090 0.000057261 0.000021217 0.000019743 0.000016624 -0.000010131 0.000035970 0.000004818 0.000005296 -0.000025826 -0.000005579 -0.000025740 0.000002009 242.16539999999986 AuxInfo=1/0/N:7,8,9,19,13,14,10,11,12,6,15,16,17,18,5,4,2,3,1/E:(1,2,3)(5,6)(7,8)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.1,18.1/rA:36OO1O1NCC3CCCC3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s5;s5;s6;s6;;s10s12;s11s12;s12;s1s15;s2s4s15;s3s4s16;s1;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s11;s13;s14;s4;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2029 CBGUSER 000257221 EM64L-G09RevD.01 16-Feb-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 102 C1[X(C15H17NO3)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 242.16539999999986 0 1 AuxInfo=1/0/N:7,8,9,19,13,14,10,11,12,6,15,16,17,18,5,4,2,3,1/E:(1,2,3)(5,6)(7,8)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.1,18.1/rA:36OO1O1NCC3CCCC3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s5;s5;s6;s6;;s10s12;s11s12;s12;s1s15;s2s4s15;s3s4s16;s1;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s11;s13;s14;s4;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-27765.inp" -scrdir="/scratch/" chk=000257221-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 000257221 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 16 16 16 14 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 15.9949146 15.9949146 15.9949146 14.0030740 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 0 0 0 2 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000381 0.000093 0.037787 0.011684 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -5.646560e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1366.1906711382 224 524 224 69 69 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 36 36 36 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 0 242.16539999999986 AuxInfo=1/0/N:7,8,9,19,13,14,10,11,12,6,15,16,17,18,5,4,2,3,1/E:(1,2,3)(5,6)(7,8)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.1,18.1/rA:36OO1O1NCC3CCCC3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s5;s5;s6;s6;;s10s12;s11s12;s12;s1s15;s2s4s15;s3s4s16;s1;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s11;s13;s14;s4;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.852435 0.000000 3.090940 4.681327 0.000000 3.633175 2.355226 2.373663 0.000000 6.864752 6.867239 9.377475 8.154273 0.000000 5.429992 5.466995 7.843740 6.623242 1.545167 0.000000 7.716114 7.240408 10.076037 8.710048 1.559619 2.532230 0.000000 7.121651 8.031827 9.919477 9.017968 1.550401 2.573240 2.520747 0.000000 7.722609 7.223158 10.074194 8.700734 1.559278 2.531352 2.542417 2.520335 0.000000 4.298036 5.531690 7.001883 6.172673 2.606355 1.419016 3.655877 2.921606 3.659290 0.000000 5.482056 4.321361 7.418420 5.840803 2.572173 1.423315 3.092907 3.901888 3.085517 2.422092 0.000000 3.110400 3.160973 5.010489 3.769571 4.436785 2.892005 5.155868 5.250961 5.152294 2.468290 2.463996 0.000000 2.966960 4.578795 5.593298 4.866924 3.903273 2.470651 4.818610 4.328389 4.819660 1.408586 2.805937 1.426822 0.000000 4.529653 2.998985 6.116209 4.441794 3.879249 2.474053 4.402092 5.045941 4.394963 2.811879 1.404410 1.429512 2.440759 0.000000 2.451139 2.511347 3.608442 2.359142 5.903488 4.358741 6.573785 6.677140 6.569068 3.814173 3.810837 1.466739 2.521757 2.524893 0.000000 1.372226 3.549243 2.506721 2.310637 6.878685 5.351906 7.625647 7.424204 7.625413 4.503228 5.045322 2.585769 3.095897 3.853522 1.392101 0.000000 3.655695 1.256366 3.553020 1.426128 6.863571 5.359199 7.381843 7.838370 7.370318 5.100108 4.467307 2.632142 3.928570 3.062908 1.508339 2.318671 0.000000 2.555473 3.528747 1.259141 1.402680 8.243276 6.700398 8.915665 8.885345 8.912274 5.966069 6.195390 3.828047 4.568616 4.872753 2.388826 1.513657 2.340735 0.000000 1.486515 6.013438 2.886038 4.337955 8.231422 6.844988 9.098178 8.342731 9.107347 5.631931 6.963880 4.594276 4.374908 6.008382 3.797970 2.484405 4.764235 2.988686 0.000000 8.740630 8.292331 11.162448 9.804090 2.200000 3.498151 1.106116 2.743696 2.774947 4.578768 4.111209 6.228733 5.825076 5.460386 7.659603 8.699412 8.467212 10.006346 10.100852 0.000000 7.433430 7.302479 9.830228 8.598251 2.209465 2.796495 1.105261 2.780798 3.515432 3.608354 3.431142 5.112221 4.686246 4.549199 6.467254 7.419276 7.340773 8.717270 8.756942 1.792645 0.000000 7.875184 6.700061 9.969475 8.389911 2.219567 2.789061 1.104492 3.502221 2.808941 4.079793 2.801185 5.066967 5.040490 4.065965 6.415397 7.590511 7.014321 8.764634 9.309445 1.787409 1.786041 0.000000 6.837726 8.125066 9.698415 8.944134 2.213538 2.860443 3.505891 1.105791 2.778497 2.878362 4.212138 5.240692 4.202694 5.213500 6.604864 7.240942 7.834956 8.717001 7.989483 3.764082 3.812270 4.386432 0.000000 6.825746 8.131679 9.693462 8.945080 2.213232 2.857283 2.781947 1.105744 3.505373 2.868962 4.213090 5.237774 4.195452 5.213781 6.602533 7.234844 7.837590 8.713377 7.975156 3.101762 2.584268 3.813605 1.793510 0.000000 8.224872 8.979986 11.020855 10.072513 2.185067 3.521932 2.738139 1.105373 2.741003 4.019819 4.737561 6.303109 5.428079 5.981201 7.744289 8.522935 8.860077 9.977168 9.432845 2.495317 3.109864 3.754814 1.783663 1.784020 0.000000 8.745926 8.278380 11.160762 9.796334 2.200418 3.497989 2.777403 2.742358 1.106199 4.581163 4.106902 6.226132 5.825729 5.455637 7.655881 8.699181 8.457873 10.003460 10.108467 2.550159 3.793188 3.146143 3.094319 3.764946 2.497417 0.000000 7.884303 6.683096 9.970244 8.382500 2.219342 2.789787 2.807474 3.501856 1.104435 4.084810 2.794594 5.065631 5.043799 4.060204 6.412947 7.592875 7.004281 8.763724 9.321269 3.140706 3.830643 2.621990 3.811672 4.385971 3.756086 1.787302 0.000000 7.442841 7.269190 9.824024 8.578531 2.209154 2.793326 3.515534 2.782194 1.105299 3.612979 3.416617 5.103060 4.686043 4.533936 6.455875 7.416071 7.317248 8.708217 8.771357 3.792185 4.380470 3.830849 2.582519 3.811447 3.117190 1.792654 1.785559 0.000000 4.660428 6.571087 7.581661 7.021215 2.828176 2.181166 3.935562 2.521858 3.942850 1.094082 3.423539 3.445350 2.154874 3.905709 4.675432 5.143112 6.050277 6.648986 5.828979 4.694572 3.803631 4.600044 2.304868 2.288459 3.604400 4.699778 4.608032 3.816407 0.000000 6.522573 4.674538 8.267442 6.498382 2.766137 2.184235 2.939483 4.279826 2.927087 3.423330 1.096244 3.444338 3.901987 2.152523 4.676014 5.983085 5.080484 7.020902 8.008469 3.834436 3.493068 2.313758 4.715559 4.719633 4.920403 3.826943 2.298651 3.471982 4.343573 0.000000 2.199342 5.121421 5.141013 4.900728 4.772671 3.451827 5.720083 4.924939 5.722926 2.167375 3.898132 2.180977 1.092256 3.434987 2.740051 2.781967 4.246892 4.292904 3.468224 6.687372 5.487522 6.037455 4.667400 4.657964 6.027050 6.689240 6.042537 5.490927 2.467389 4.994226 0.000000 5.066225 2.213533 6.106170 4.115733 4.740467 3.458315 5.090783 6.021506 5.080774 3.904897 2.168387 2.182577 3.434396 1.093053 2.741971 4.133547 2.690695 4.848189 6.495193 6.118517 5.281275 4.548087 6.225158 6.227467 6.899051 6.111524 4.538605 5.260967 4.998759 2.470411 4.344229 0.000000 4.587812 2.678269 2.730230 1.019975 9.023544 7.509827 9.521023 9.953335 9.509031 7.141408 6.626455 4.705328 5.861290 5.222759 3.341627 3.302927 2.165083 2.152779 5.138793 10.610804 9.428262 9.123251 9.899548 9.902428 10.992895 10.600698 9.112865 9.403785 8.015982 7.185669 5.920474 4.734433 0.000000 2.139540 6.151067 2.626457 4.310555 8.828000 7.420991 9.549020 8.989805 9.792892 6.259440 7.454979 5.064660 4.981305 6.434006 4.136209 2.808309 4.911796 2.959884 1.101557 10.574868 9.117056 9.712313 8.739871 8.540464 10.078587 10.795664 9.962182 9.550292 6.500298 8.469912 4.143687 6.830342 5.007503 0.000000 2.139746 6.154800 2.630214 4.314789 8.826349 7.420403 9.785881 8.982823 9.557150 6.255554 7.458155 5.066227 4.977642 6.438591 4.138872 2.810640 4.915307 2.964249 1.101619 10.788974 9.538260 9.956062 8.543941 8.717890 10.072341 10.580698 9.726862 9.127755 6.493209 8.474483 4.135328 6.837474 5.011628 1.798030 0.000000 2.049061 6.867637 3.979332 5.363872 8.166104 6.894229 9.081710 8.072073 9.095954 5.570244 7.231992 5.020409 4.483294 6.448840 4.500191 3.324073 5.642709 4.051051 1.099592 10.026318 8.704320 9.420292 7.660953 7.641931 9.131896 10.038318 9.436937 8.728386 5.557477 8.312691 3.443026 7.076361 6.203645 1.815533 1.815440 0.000000 C15H17NO3 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 0 242.16539999999986 AuxInfo=1/0/N:7,8,9,19,13,14,10,11,12,6,15,16,17,18,5,4,2,3,1/E:(1,2,3)(5,6)(7,8)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.1,18.1/rA:36OO1O1NCC3CCCC3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHH/rB:;;;;s5;s5;s5;s5;s6;s6;;s10s12;s11s12;s12;s1s15;s2s4s15;s3s4s16;s1;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s11;s13;s14;s4;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.8276794 0.1757780 0.1500177 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= 11026 NPrTT= 56395 LenC2= 9513 LenP2D= 30698. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 224 RedAO= T EigKep= 4.62D-04 NBF= 224 NBsUse= 224 1.00D-06 EigRej= -1.00D+00 NBFU= 224 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= 217 217 217 217 217 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 0 1 -860.681487590771 -860.796664119743 -0.115176528972 -860.951550688095 -0.154886568351 -860.074262543374 0.877288144721 -861.054547549106 -0.980285005732 -861.102119365010 -0.047571815904 -861.118357758129 -0.016238393120 -861.121951256283 -0.003593498154 -861.122576728616 -0.000625472333 -861.122604169315 -0.000027440699 -861.122608210317 -0.000004041002 -861.122648882596 -0.000040672278 -861.122648857666 0.000000024930 -861.122649008480 -0.000000150815 -861.122649275265 -0.000000266784 -861.122649380985 -0.000000105720 -861.122649384151 -0.000000003166 -861.122649384589 -0.000000000438 -861.122649384636 -0.000000000047 -861.122649384638 -0.000000000002 -861.122649385 20 8.569247249222e+02 -4.740122144232e+03 1.655884098787e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=323400010. IVT= 172210 IEndB= 172210 NGot= 939524096 MDV= 621819287 LenX= 621819287 LenY= 621768670 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= 25200 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= 36. Will process 37 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111 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= 939523508 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=323238467. 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= 25200 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 111 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 108 vectors produced by pass 0 Test12= 1.07D-14 1.00D-09 XBig12= 1.34D+03 2.97D+01. AX will form 108 AO Fock derivatives at one time. 108 vectors produced by pass 1 Test12= 1.07D-14 1.00D-09 XBig12= 5.33D+02 4.56D+00. 108 vectors produced by pass 2 Test12= 1.07D-14 1.00D-09 XBig12= 1.36D+00 1.02D-01. 108 vectors produced by pass 3 Test12= 1.07D-14 1.00D-09 XBig12= 7.90D-04 2.32D-03. 73 vectors produced by pass 4 Test12= 1.07D-14 1.00D-09 XBig12= 1.89D-07 4.12D-05. 12 vectors produced by pass 5 Test12= 1.07D-14 1.00D-09 XBig12= 1.62D-11 3.49D-07. 2 vectors produced by pass 6 Test12= 1.07D-14 1.00D-09 XBig12= 2.57D-15 4.28D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 519 with 111 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 204.50 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 322.498 -21.584 191.688 0.066 -0.120 99.328 646.666 -136.119 453.641 0.204 -0.504 154.258 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2561.600S 2018-02-16T14:20:59.000+01:00 -18.82839 -18.78042 -18.77369 -14.05355 -10.04103 -10.03487 -9.99580 -9.96382 -9.94050 -9.92377 -9.92137 -9.91338 -9.90184 -9.90087 -9.90017 -9.89953 -9.88386 -9.88306 -9.88302 -1.00772 -0.98817 -0.97550 -0.88814 -0.78615 -0.75817 -0.73239 -0.68001 -0.67296 -0.66325 -0.62195 -0.61694 -0.61480 -0.57706 -0.55488 -0.53769 -0.52985 -0.49144 -0.47570 -0.46884 -0.45086 -0.44325 -0.41631 -0.41470 -0.41356 -0.40534 -0.39402 -0.38991 -0.38307 -0.37563 -0.37321 -0.36584 -0.36161 -0.34848 -0.34241 -0.33610 -0.33017 -0.32222 -0.31892 -0.31504 -0.30437 -0.29061 -0.28417 -0.27499 -0.26318 -0.25139 -0.24735 -0.22597 -0.22399 -0.19518 -0.13023 -0.04535 -0.03411 0.00200 0.01420 0.04115 0.05850 0.07401 0.07957 0.10057 0.10982 0.11575 0.12100 0.12342 0.12556 0.13310 0.14033 0.14932 0.15044 0.16006 0.16495 0.16521 0.16767 0.16941 0.17645 0.17663 0.18232 0.18753 0.19981 0.21151 0.21271 0.21288 0.21594 0.23245 0.23713 0.24577 0.24868 0.25446 0.25586 0.27618 0.27901 0.28006 0.28155 0.28724 0.28817 0.29044 0.30776 0.30827 0.31467 0.32054 0.33255 0.33312 0.33675 0.34776 0.36518 0.36854 0.36860 0.38490 0.39009 0.39077 0.39193 0.40805 0.41562 0.41997 0.43083 0.43737 0.45312 0.45683 0.46142 0.46177 0.47814 0.48797 0.49248 0.50412 0.51185 0.51286 0.51923 0.53631 0.56436 0.57307 0.58198 0.59672 0.62285 0.63781 0.65170 0.66408 0.68139 0.71271 0.71476 0.75068 0.76936 0.77251 0.78690 0.81589 0.81769 0.82167 0.83567 0.84188 0.85182 0.87270 0.88761 0.90168 0.92434 0.95257 0.96130 0.96762 0.98190 1.01692 1.03901 1.04040 1.05035 1.05756 1.07794 1.07904 1.08826 1.08918 1.12354 1.13705 1.14157 1.15083 1.16211 1.17174 1.17947 1.20000 1.25744 1.25804 1.26915 1.29687 1.34055 1.38198 1.42661 1.47164 1.52853 1.67422 1.71885 1.79149 22.28105 22.46194 22.48387 22.50304 22.52578 22.56493 22.58589 22.62708 22.63117 22.65121 22.67449 22.71425 22.75469 22.76822 22.80846 31.46776 41.51168 41.52352 41.56332 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 O O O N 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 -0.258810 -0.217370 -0.218267 -0.413096 0.129184 0.514148 -0.698659 -0.748278 -0.699013 -0.432779 -0.416513 0.382255 -0.410783 -0.428697 0.029193 0.054604 0.124032 0.128091 -0.490728 0.208308 0.223258 0.218589 0.217007 0.216596 0.218264 0.208281 0.218196 0.223419 0.246749 0.227933 0.279088 0.286212 0.348904 0.249281 0.249198 0.232202 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 O O O N C C C C C C C C C C C C C C C -0.258810 -0.217370 -0.218267 -0.064192 0.129184 0.514148 -0.048504 -0.096410 -0.049117 -0.186030 -0.188580 0.382255 -0.131695 -0.142485 0.029193 0.054604 0.124032 0.128091 0.239953 0.00000 3.23806740e-01 1.02433791e+00 5.16691683e-04 3.22497574e+02 -2.15843350e+01 1.91688431e+02 6.56383239e-02 -1.19656439e-01 9.93283331e+01 -12.6247 -7.5917 -2.3632 -0.0002 0.0003 0.0006 16.0186 42.2092 54.4057 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 14.8304 42.1828 54.3981 63.5514 92.2693 101.5549 154.0311 155.5229 177.4779 178.0408 203.8004 214.4182 239.3866 243.1641 281.1101 302.9011 304.3322 333.1510 351.4363 359.2129 375.1700 400.3155 404.3219 409.8677 457.4699 517.0097 528.1277 574.4517 578.2210 582.3181 630.7679 635.7544 690.4596 716.3898 721.1961 741.9821 769.8284 827.2113 837.7837 854.1171 859.8155 918.3298 928.9689 930.4574 941.7626 980.9520 992.7077 998.0769 1011.5738 1020.4937 1023.5424 1091.9703 1104.7910 1114.2988 1134.3880 1142.8568 1203.5499 1204.1933 1215.0629 1223.4010 1274.3445 1294.2320 1303.0321 1315.5321 1335.5257 1361.4881 1374.5258 1376.8114 1404.3426 1419.3439 1439.9509 1453.2478 1453.8905 1459.1953 1463.5484 1465.8651 1478.2820 1487.3395 1493.9130 1505.4067 1549.7411 1604.8331 1617.6132 1640.4909 1663.6304 2973.1180 2974.5549 2979.6750 3010.3197 3068.6813 3069.1987 3070.6976 3077.6788 3079.9393 3083.7071 3122.0870 3127.3433 3144.4089 3150.8289 3171.5880 3183.1667 3589.8288 3.1640 5.1661 3.2935 4.5750 4.9164 3.5885 11.0253 1.3605 1.4046 3.7341 1.7577 2.9889 1.6999 2.1358 4.1103 2.7406 1.1204 3.9194 2.7370 5.1283 5.1316 4.4780 3.1656 3.4722 2.9951 5.6219 4.0922 1.2507 2.1467 5.3193 9.1098 7.3534 4.4976 5.8935 10.5825 5.6696 5.0963 3.9074 3.9896 1.2822 1.6334 1.7417 1.6750 8.1297 1.2010 1.3474 1.3599 4.3078 2.7950 1.5201 1.3875 4.4864 1.2426 2.3685 1.8090 1.4956 2.9508 2.6323 2.3577 1.3539 3.0675 4.4374 2.1715 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