Gaussian 09 GINC-KIMIK2028 CBGUSER 000077617 EM64L-G09RevD.01 11-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 280.23479999999984 0 1 AuxInfo=1/0/N:23,22,20,21,19,17,16,18,15,13,8,9,12,11,5,4,7,6,10,3,2,14,1/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3/rA:37OC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHH/rB:;;s2;s3;s2;s3;s2s5;s3s4;s6;s7;s4;s5;s1s10s12;s11s13;s6;s7;s10;s11;s16;s18s20;s17;s19s22;s8;s9;s12;s13;s15;s16;s17;s18;s19;s20;s21;s22;s23;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-28742.inp" -scrdir="/scratch/" chk=000077617.chk nprocshared=4 mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000077617 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 1 2 2 2 3 3 3 4 4 5 5 6 6 7 7 8 9 10 10 11 11 12 12 13 13 15 16 16 17 17 18 18 19 19 20 20 21 22 22 23 14 37 4 6 8 5 7 9 9 12 8 13 10 16 11 17 24 25 14 18 15 19 14 26 15 27 28 20 29 22 30 21 31 23 32 21 33 34 23 35 36 1.3669 0.9705 1.4108 1.4415 1.4147 1.4109 1.4415 1.4147 1.4093 1.3984 1.4094 1.3985 1.4191 1.4178 1.419 1.4177 1.0892 1.0892 1.3961 1.4054 1.3962 1.4054 1.391 1.0892 1.3909 1.0885 1.0883 1.3976 1.0869 1.3978 1.0869 1.3912 1.0869 1.3912 1.0886 1.3861 1.0862 1.0858 1.3862 1.0862 1.0856 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 14 4 4 6 5 5 7 2 2 9 3 3 8 2 2 10 3 3 11 2 2 5 3 3 4 6 6 14 7 7 15 4 4 14 5 5 15 1 1 10 11 11 13 6 6 20 7 7 22 10 10 21 11 11 23 16 16 21 18 18 20 17 17 23 19 19 22 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 37 6 8 8 7 9 9 9 12 12 8 13 13 10 16 16 11 17 17 5 24 24 4 25 25 14 18 18 15 19 19 14 26 26 15 27 27 10 12 12 13 28 28 20 29 29 22 30 30 21 31 31 23 32 32 21 33 33 20 34 34 23 35 35 22 36 36 109.7783 119.3871 116.2404 124.3725 119.3779 116.2429 124.3792 120.517 119.8205 119.6626 120.511 119.8315 119.6575 119.1744 124.2368 116.5888 119.1776 124.2256 116.5968 123.2433 119.4654 117.2913 123.2454 119.4527 117.302 119.8427 120.6541 119.5032 119.845 120.6579 119.4971 121.0174 120.187 118.7955 121.007 120.6511 118.342 121.7511 117.4909 120.758 120.7611 120.7553 118.4836 122.1966 121.1362 116.6671 122.193 121.148 116.6591 121.0167 122.5308 116.4426 121.0122 120.5393 118.4486 119.9915 119.9074 120.1011 119.5523 120.2185 120.2287 119.9887 119.911 120.1002 119.5514 120.1826 120.266 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 37 37 6 6 8 8 4 4 8 8 4 4 6 6 7 7 9 9 5 5 9 9 5 5 7 7 2 2 12 12 2 2 9 9 3 3 13 13 3 3 8 8 2 2 16 16 2 2 10 10 3 3 17 17 3 3 11 11 6 6 18 18 6 6 14 14 7 7 19 19 7 7 15 15 4 4 26 26 5 5 27 27 6 6 29 29 7 7 30 30 10 10 31 31 11 11 32 32 16 16 33 33 17 17 35 35 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 22 14 14 4 4 4 4 6 6 6 6 8 8 8 8 5 5 5 5 7 7 7 7 9 9 9 9 9 9 9 9 12 12 12 12 8 8 8 8 13 13 13 13 10 10 10 10 16 16 16 16 11 11 11 11 17 17 17 17 14 14 14 14 18 18 18 18 15 15 15 15 19 19 19 19 14 14 14 14 15 15 15 15 20 20 20 20 22 22 22 22 21 21 21 21 23 23 23 23 21 21 21 21 23 23 23 23 10 12 9 12 9 12 10 16 10 16 5 24 5 24 8 13 8 13 11 17 11 17 4 25 4 25 3 25 3 25 14 26 14 26 2 24 2 24 15 27 15 27 14 18 14 18 20 29 20 29 15 19 15 19 22 30 22 30 1 12 1 12 21 31 21 31 13 28 13 28 23 32 23 32 1 10 1 10 11 28 11 28 21 33 21 33 23 35 23 35 20 34 20 34 22 36 22 36 18 34 18 34 19 36 19 36 -35.3756 144.6335 -179.9861 0.0045 0.0133 -179.9961 -0.0041 179.9961 179.9966 -0.0033 -0.0186 179.9912 179.9808 -0.0094 179.9955 0.0049 0.0221 -179.9684 0.0047 179.9653 179.9757 -0.0636 -0.0277 179.9861 -179.9995 0.0142 0.0099 179.9965 -179.9806 0.0059 -0.0003 179.9972 179.9904 -0.0122 0.0005 179.9909 179.991 -0.0186 -0.0051 179.9974 -179.9957 0.0067 -0.0005 179.99 179.9994 -0.0101 -179.9896 0.0196 0.0105 -179.9803 -0.0144 179.9856 -179.978 0.022 -179.9885 0.0159 -0.0269 179.9775 -179.9858 0.0048 0.0236 -179.9858 0.0051 178.8172 179.9956 -1.1922 0.0145 -179.9989 -179.9855 0.0011 -0.0047 179.9925 179.9953 -0.0075 179.9865 -0.0045 -0.011 179.9981 -0.0048 -179.9916 179.9929 0.006 -0.0056 -179.932 179.9855 0.0592 0.014 -179.9879 -179.9902 0.0079 0.0002 179.7323 -178.8813 0.8508 -0.0092 179.9922 179.9935 -0.0051 0.0 -179.732 179.9262 0.1942 0.0047 -179.9968 -179.9934 0.0051 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 222 222 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 13861 NPrTT= 72156 LenC2= 11821 LenP2D= 38285. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 258 RedAO= T EigKep= 1.34D-04 NBF= 258 NBsUse= 258 1.00D-06 EigRej= -1.00D+00 NBFU= 258 Using GEDIIS/GDIIS optimizer. local minimum Step number 12 out of a maximum of 222 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00051 0.01355 0.01700 0.01746 0.01791 0.01797 0.01840 0.01855 0.01919 0.01929 0.01944 0.01946 0.01960 0.01977 0.01994 0.01995 0.02004 0.02007 0.02034 0.02067 0.02096 0.02111 0.02130 0.02144 0.02152 0.02157 0.02179 0.02188 0.02188 0.02192 0.02201 0.02235 0.02241 0.02518 0.09203 0.15057 0.15995 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16002 0.16003 0.16037 0.16119 0.16176 0.20755 0.22000 0.22009 0.22402 0.22674 0.23080 0.23225 0.23936 0.24208 0.24433 0.24642 0.24717 0.24826 0.24999 0.25104 0.25803 0.34834 0.34907 0.34917 0.34970 0.34976 0.34983 0.35019 0.35179 0.35225 0.35259 0.35279 0.35314 0.35424 0.36730 0.37352 0.37713 0.38412 0.39797 0.40071 0.40573 0.40679 0.41893 0.42366 0.43009 0.43394 0.43507 0.43859 0.44197 0.44581 0.44950 0.45154 0.45463 0.45676 0.45795 0.46026 0.46782 0.47213 0.47418 0.48364 0.52151 0.53551 RFO step: Lambda=-3.94312370D-09. 1 2 0.00042565 0.00000041 0.00000040 0.00000002 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 2.65545 1.86686 2.74075 2.77502 2.66961 2.74200 2.77836 2.66984 2.68135 2.72234 2.67810 2.73597 2.72719 2.69693 2.72534 2.69726 2.06964 2.06874 2.75907 2.69846 2.73944 2.69839 2.60826 2.06800 2.60666 2.07210 2.07184 2.64966 2.06706 2.65178 2.06818 2.64780 2.07635 2.64777 2.07243 2.68504 2.06939 2.06909 2.68921 2.07018 2.06999 1.95073 2.07456 2.05422 2.15440 2.07845 2.05326 2.15148 2.09117 2.09056 2.10145 2.09224 2.08782 2.10312 2.09323 2.13365 2.05631 2.07944 2.14376 2.05998 2.13778 2.09989 2.04551 2.13770 2.09873 2.04676 2.07259 2.08519 2.12541 2.09189 2.08950 2.10179 2.11633 2.09313 2.07372 2.11471 2.06524 2.10324 2.12499 2.03910 2.11910 2.11405 2.06408 2.10505 2.12735 2.08705 2.06878 2.11954 2.09385 2.06979 2.11754 2.11175 2.05389 2.11216 2.07211 2.09891 2.09485 2.09419 2.09415 2.08513 2.09852 2.09954 2.09930 2.09156 2.09232 2.08588 2.10167 2.09564 0.00012 -3.14146 -3.14143 0.00026 0.00019 -3.14130 -0.00026 3.14134 3.14131 -0.00028 -0.00011 3.14137 3.14151 -0.00019 -3.14144 0.00016 0.00021 -3.14138 -0.00010 3.14136 3.14144 -0.00028 -0.00013 3.14144 3.14152 -0.00010 -0.00007 3.14154 3.14142 -0.00015 -0.00001 3.14146 -3.14150 -0.00004 -0.00009 -3.14158 3.14150 0.00001 -0.00010 3.14147 3.14149 -0.00012 0.00001 3.14155 -3.14159 -0.00005 3.14157 0.00000 -0.00002 -3.14159 -0.00002 3.14154 -3.14149 0.00007 -3.14154 -0.00002 -0.00007 3.14144 -3.14133 0.00025 0.00032 -3.14129 0.00007 -3.14152 -3.14158 0.00002 0.00008 -3.14153 -3.14148 0.00010 -0.00002 -3.14157 3.14154 -0.00001 3.14133 -0.00025 -0.00014 3.14147 -0.00002 -3.14159 -3.14159 0.00002 0.00006 -3.14152 -3.14156 0.00005 0.00002 3.14153 -3.14149 0.00002 -0.00003 3.14158 3.14156 -0.00001 -0.00003 -3.14158 3.14152 -0.00004 -0.00003 3.14154 3.14155 -0.00006 0.00003 3.14158 -3.14148 0.00007 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 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 0.00001 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 -0.00002 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 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 0.00000 0.00000 0.00000 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0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00007 0.00008 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00005 -0.00005 -0.00005 -0.00007 -0.00007 -0.00009 0.00007 0.00007 0.00009 0.00009 0.00006 0.00007 0.00004 0.00005 -0.00003 -0.00003 -0.00005 -0.00005 0.00003 0.00003 0.00005 0.00006 0.00004 0.00006 0.00002 0.00004 0.00002 0.00000 0.00004 0.00002 0.00000 0.00004 -0.00001 0.00002 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00003 0.00001 0.00003 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 -0.00005 -0.00005 -0.00006 -0.00006 0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00002 -0.00002 0.00000 0.00000 0.00001 0.00001 0.00006 0.00006 0.00002 0.00002 0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00003 -0.00002 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00006 0.00002 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00002 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00003 0.00000 -0.00001 0.00000 -0.00002 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00010 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00002 0.00002 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 -0.00003 0.00000 0.00000 0.00001 -0.00002 0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00007 0.00004 0.00003 0.00001 0.00001 -0.00002 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00003 -0.00007 0.00010 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00285 0.00261 0.00005 0.00022 -0.00001 0.00016 0.00002 -0.00006 0.00008 0.00001 -0.00001 0.00002 -0.00007 -0.00004 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00002 -0.00002 0.00002 0.00002 -0.00015 -0.00015 -0.00015 -0.00029 0.00001 -0.00012 0.00002 -0.00001 0.00002 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00031 -0.00038 -0.00024 -0.00031 0.00019 0.00012 0.00012 0.00005 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00002 0.00001 -0.00001 0.00013 0.00039 0.00021 0.00046 0.00033 0.00059 0.00025 0.00052 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00009 -0.00016 0.00022 -0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00008 -0.00002 0.00014 0.00005 -0.00001 -0.00001 0.00001 0.00001 -0.00013 0.00000 -0.00039 -0.00026 0.00001 0.00001 -0.00001 -0.00001 -0.00007 -0.00020 0.00002 -0.00011 0.00000 0.00000 0.00000 0.00000 2.65551 1.86687 2.74076 2.77503 2.66961 2.74201 2.77836 2.66985 2.68134 2.72236 2.67810 2.73596 2.72720 2.69692 2.72535 2.69726 2.06964 2.06874 2.75905 2.69846 2.73943 2.69839 2.60824 2.06800 2.60667 2.07210 2.07184 2.64967 2.06706 2.65178 2.06818 2.64781 2.07633 2.64777 2.07243 2.68504 2.06939 2.06909 2.68921 2.07018 2.06999 1.95064 2.07458 2.05422 2.15439 2.07845 2.05325 2.15148 2.09117 2.09056 2.10145 2.09224 2.08782 2.10313 2.09321 2.13367 2.05631 2.07944 2.14377 2.05998 2.13779 2.09989 2.04551 2.13770 2.09873 2.04676 2.07259 2.08521 2.12539 2.09189 2.08950 2.10180 2.11631 2.09314 2.07374 2.11471 2.06525 2.10323 2.12492 2.03914 2.11913 2.11406 2.06409 2.10503 2.12734 2.08706 2.06878 2.11955 2.09385 2.06979 2.11752 2.11168 2.05399 2.11216 2.07211 2.09891 2.09486 2.09418 2.09415 2.08514 2.09851 2.09953 2.09930 2.09156 2.09232 2.08588 2.10166 2.09564 0.00297 -3.13885 -3.14138 0.00048 0.00018 -3.14115 -0.00024 3.14128 3.14139 -0.00028 -0.00012 3.14139 3.14144 -0.00023 -3.14144 0.00015 0.00020 -3.14139 -0.00010 3.14137 3.14144 -0.00027 -0.00014 3.14143 3.14150 -0.00011 -0.00005 3.14156 3.14128 -0.00030 -0.00016 3.14117 -3.14149 -0.00016 -0.00007 -3.14159 3.14152 0.00001 -0.00009 3.14147 3.14150 -0.00012 -0.00030 3.14116 3.14136 -0.00036 -3.14142 0.00013 0.00010 -3.14154 -0.00001 3.14155 -3.14149 0.00007 -3.14153 -0.00004 -0.00006 3.14143 -3.14120 0.00064 0.00052 -3.14083 0.00040 -3.14093 -3.14132 0.00054 0.00008 -3.14153 -3.14149 0.00009 -0.00003 -3.14156 3.14153 0.00000 3.14142 -0.00040 0.00008 3.14145 -0.00002 3.14159 -3.14159 0.00002 0.00014 -3.14154 -3.14141 0.00009 0.00001 3.14152 -3.14148 0.00003 -0.00016 3.14158 3.14117 -0.00027 -0.00002 -3.14157 3.14151 -0.00004 -0.00011 3.14134 3.14157 -0.00017 0.00003 3.14158 -3.14148 0.00007 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000016 0.000003 0.004809 0.000426 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -9.976796e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 1 2 2 2 3 3 3 4 4 5 5 6 6 7 7 8 9 10 10 11 11 12 12 13 13 15 16 16 17 17 18 18 19 19 20 20 21 22 22 23 14 37 4 6 8 5 7 9 9 12 8 13 10 16 11 17 24 25 14 18 15 19 14 26 15 27 28 20 29 22 30 21 31 23 32 21 33 34 23 35 36 1.4052 0.9879 1.4503 1.4685 1.4127 1.451 1.4702 1.4128 1.4189 1.4406 1.4172 1.4478 1.4432 1.4272 1.4422 1.4273 1.0952 1.0947 1.46 1.428 1.4496 1.4279 1.3802 1.0943 1.3794 1.0965 1.0964 1.4021 1.0938 1.4033 1.0944 1.4012 1.0988 1.4011 1.0967 1.4209 1.0951 1.0949 1.4231 1.0955 1.0954 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 14 4 4 6 5 5 7 2 2 9 3 3 8 2 2 10 3 3 11 2 2 5 3 3 4 6 6 14 7 7 15 4 4 14 5 5 15 1 1 10 11 11 13 6 6 20 7 7 22 10 10 21 11 11 23 16 16 21 18 18 20 17 17 23 19 19 22 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 37 6 8 8 7 9 9 9 12 12 8 13 13 10 16 16 11 17 17 5 24 24 4 25 25 14 18 18 15 19 19 14 26 26 15 27 27 10 12 12 13 28 28 20 29 29 22 30 30 21 31 31 23 32 32 21 33 33 20 34 34 23 35 35 22 36 36 111.7688 118.8637 117.6981 123.4382 119.0864 117.6429 123.2707 119.8152 119.7805 120.4043 119.8766 119.6235 120.4999 119.9331 122.2491 117.8178 119.1434 122.8284 118.0282 122.4861 120.3151 117.1988 122.4811 120.2483 117.2706 118.7504 119.4724 121.7772 119.8565 119.7197 120.4237 121.2567 119.9278 118.8155 121.1639 118.3294 120.5067 121.7527 116.8318 121.4155 121.1263 118.2632 120.6105 121.8884 119.5791 118.5325 121.4409 119.9686 118.5905 121.3263 120.9945 117.6792 121.0178 118.7233 120.2589 120.0261 119.9882 119.9858 119.4691 120.2362 120.2947 120.2813 119.8375 119.8812 119.512 120.4166 120.0713 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 37 37 6 6 8 8 4 4 8 8 4 4 6 6 7 7 9 9 5 5 9 9 5 5 7 7 2 2 12 12 2 2 9 9 3 3 13 13 3 3 8 8 2 2 16 16 2 2 10 10 3 3 17 17 3 3 11 11 6 6 18 18 6 6 14 14 7 7 19 19 7 7 15 15 4 4 26 26 5 5 27 27 6 6 29 29 7 7 30 30 10 10 31 31 11 11 32 32 16 16 33 33 17 17 35 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 22 22 22 14 14 4 4 4 4 6 6 6 6 8 8 8 8 5 5 5 5 7 7 7 7 9 9 9 9 9 9 9 9 12 12 12 12 8 8 8 8 13 13 13 13 10 10 10 10 16 16 16 16 11 11 11 11 17 17 17 17 14 14 14 14 18 18 18 18 15 15 15 15 19 19 19 19 14 14 14 14 15 15 15 15 20 20 20 20 22 22 22 22 21 21 21 21 23 23 23 23 21 21 21 21 23 23 23 10 12 9 12 9 12 10 16 10 16 5 24 5 24 8 13 8 13 11 17 11 17 4 25 4 25 3 25 3 25 14 26 14 26 2 24 2 24 15 27 15 27 14 18 14 18 20 29 20 29 15 19 15 19 22 30 22 30 1 12 1 12 21 31 21 31 13 28 13 28 23 32 23 32 1 10 1 10 11 28 11 28 21 33 21 33 23 35 23 35 20 34 20 34 22 36 22 36 18 34 18 34 19 36 19 0.0068 -179.9924 -179.9908 0.015 0.0109 -179.9834 -0.0146 179.9854 179.9836 -0.0163 -0.0064 179.9875 179.9953 -0.0108 -179.9911 0.0091 0.0119 -179.9879 -0.0056 179.9869 179.9912 -0.0163 -0.0074 179.9914 179.9957 -0.0054 -0.004 179.9972 179.9902 -0.0086 -0.0007 179.9922 -179.9949 -0.002 -0.0051 -179.9991 179.9947 0.0007 -0.006 179.993 179.9942 -0.0068 0.0005 179.9974 180.0004 -0.0027 -180.001 0.0002 -0.001 -179.9997 -0.0011 179.997 -179.9939 0.0042 -179.9967 -0.0014 -0.0042 179.9912 -179.985 0.0142 0.0182 -179.9827 0.0041 -179.9958 -179.9991 0.0011 0.0044 -179.9964 -179.9936 0.0055 -0.0013 -179.9986 179.9968 -0.0005 179.985 -0.0142 -0.008 179.9928 -0.0009 180.0 -179.9998 0.0011 0.0033 -179.9961 -179.9979 0.0026 0.0013 179.9967 -179.9941 0.0012 -0.0017 179.9994 179.9981 -0.0008 -0.0017 -179.9994 179.9956 -0.0022 -0.002 179.9969 179.9975 -0.0036 0.0017 179.9995 -179.9936 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 280.23479999999984 AuxInfo=1/0/N:23,22,20,21,19,17,16,18,15,13,8,9,12,11,5,4,7,6,10,3,2,14,1/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3/rA:37OC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHH/rB:;;s2;s3;s2;s3;s2s5;s3s4;s6;s7;s4;s5;s1s10s12;s11s13;s6;s7;s10;s11;s16;s18s20;s17;s19s22;s8;s9;s12;s13;s15;s16;s17;s18;s19;s20;s21;s22;s23;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.182679 0.000000 6.090665 2.901412 0.000000 3.651649 1.410838 2.484597 0.000000 6.403419 2.484724 1.410896 2.812468 0.000000 3.699886 1.441515 4.342468 2.462595 3.823217 0.000000 7.308842 4.342452 1.441500 3.823119 2.462517 5.783737 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-3.0304 -4.4528 -2.9000 -54.8389 34.2247 -0.6584 18.2931 -3.4033 20.4590 -6.1761 -4.4731 7.9681 13.9832 -8357.0366 -1882.9340 -156.6744 68.6951 -91.9949 -107.1377 -21.7447 2.4678 1.2002 -1768.4793 -1859.3992 -385.4136 -65.2149 -38.8149 24.6736 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 280.23479999999984 AuxInfo=1/0/N:23,22,20,21,19,17,16,18,15,13,8,9,12,11,5,4,7,6,10,3,2,14,1/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3/rA:37OC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHH/rB:;;s2;s3;s2;s3;s2s5;s3s4;s6;s7;s4;s5;s1s10s12;s11s13;s6;s7;s10;s11;s16;s18s20;s17;s19s22;s8;s9;s12;s13;s15;s16;s17;s18;s19;s20;s21;s22;s23;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.282233 0.000000 6.152772 2.899501 0.000000 3.715623 1.450342 2.482426 0.000000 6.498560 2.480874 1.451006 2.849382 0.000000 3.798122 1.468477 4.367215 2.513193 3.841755 0.000000 7.388015 4.369089 1.470246 3.843830 2.518172 5.837159 0.000000 5.691524 1.412698 2.482443 2.450289 1.417190 2.537403 3.816429 0.000000 4.852974 2.482576 1.412817 1.418908 2.450247 3.813466 2.537075 2.812538 0.000000 2.503134 2.520741 5.211156 2.888788 5.000860 1.443169 6.653054 3.834843 4.307649 0.000000 8.653377 5.199607 2.511327 4.992831 2.877974 6.640226 1.442189 4.295108 3.827064 7.644978 0.000000 2.372868 2.500862 3.791400 1.440601 4.289970 2.874955 5.018099 3.771248 2.481459 2.477406 6.283886 0.000000 7.930027 3.797610 2.505675 4.297188 1.447813 5.024430 2.881504 2.487437 3.776936 6.298557 2.464042 5.737781 0.000000 1.405202 2.878203 4.939908 2.458411 5.146698 2.498287 6.266406 4.288975 3.747332 1.460038 7.450930 1.380230 6.564013 0.000000 8.862480 4.942885 2.879998 5.150440 2.462887 6.269474 2.502595 3.750524 4.290952 7.463412 1.449648 6.560050 1.379386 7.550240 0.000000 4.960500 2.535699 5.294849 3.836923 4.425754 1.427152 6.729382 3.008589 5.016575 2.458005 7.303697 4.301068 5.314339 3.790426 6.664925 0.000000 7.602953 5.304825 2.544448 4.438034 3.845396 6.737009 1.427329 5.025028 3.019156 7.326804 2.460033 5.319878 4.307326 6.672332 3.790907 7.789311 0.000000 2.951584 3.822928 6.610102 4.316751 6.285901 2.479850 8.062214 5.016245 5.735611 1.427964 9.009378 3.783418 7.503655 2.523224 8.733553 2.811793 8.754766 0.000000 9.869643 6.602034 3.819190 6.285392 4.305822 8.052154 2.482087 5.722889 5.017286 9.015134 1.427928 7.498745 3.761112 8.729369 2.497381 8.731461 2.820877 10.395837 0.000000 5.190807 3.824642 6.660030 4.986076 5.827720 2.473246 8.107278 4.410610 6.267613 2.842622 8.705691 5.149209 6.690102 4.302566 8.050119 1.402138 9.124466 2.437396 10.133498 0.000000 4.352643 4.335502 7.233003 5.184396 6.638644 2.867103 8.703211 5.256231 6.575497 2.466333 9.481835 4.943618 7.679780 3.808114 8.997159 2.445127 9.559831 1.401157 10.901271 1.420860 0.000000 8.951736 6.666882 3.828570 5.840726 4.986352 8.112571 2.468994 6.269135 4.421980 8.729503 2.838004 6.700464 5.141581 8.061497 4.287640 9.119440 1.403262 10.157460 2.439823 10.472889 10.948204 0.000000 10.008851 7.232088 4.335245 6.645466 5.177882 8.700540 2.865382 6.568779 5.263046 9.497199 2.462545 7.683828 4.926007 9.001923 3.784726 9.544605 2.451155 10.913832 1.401138 10.935115 11.567292 1.423068 0.000000 6.365700 2.181080 3.457704 3.455263 2.150998 2.788784 4.668050 1.095208 3.907157 4.219523 4.887391 4.674178 2.666655 4.967821 4.042268 2.698444 5.965174 5.182212 6.289116 4.042600 5.124590 7.136840 7.280584 0.000000 4.897994 3.457948 2.180077 2.152947 3.454566 4.665003 2.785328 3.906718 1.094731 4.901041 4.213141 2.663255 4.678258 4.040088 4.967947 5.957662 2.707523 6.306367 5.187626 7.138238 7.291661 4.057868 5.136382 5.001586 0.000000 2.559030 3.492745 4.129502 2.201356 4.925208 3.969204 5.128870 4.648814 2.718662 3.461707 6.502529 1.094339 6.352345 2.135099 7.000039 5.395002 5.129186 4.656584 7.585847 6.211178 5.905371 6.440958 7.569142 5.624227 2.435672 0.000000 8.377815 4.110596 3.488366 4.911285 2.192074 5.108741 3.977939 2.699583 4.640117 6.488556 3.462421 6.330947 1.096507 6.979763 2.154216 5.095953 5.403821 7.558872 4.649653 6.399467 7.532475 6.210934 5.900074 2.411517 5.616648 7.064709 0.000000 9.924213 5.915634 3.976235 6.220223 3.461578 7.177914 3.483006 4.640517 5.387322 8.431057 2.192875 7.639186 2.155199 8.595272 1.096372 7.431275 4.651090 9.656159 2.704971 8.786494 9.821496 4.899929 4.102535 4.743949 6.049065 8.095504 2.494287 0.000000 5.932539 2.765994 5.146375 4.203494 4.038893 2.185044 6.497986 2.682365 5.166580 3.454727 6.865042 4.959161 4.669625 4.677860 6.047573 1.093839 7.689873 3.905406 8.278196 2.151198 3.427483 8.950871 9.216319 2.007723 6.197766 6.042181 4.274887 6.706711 0.000000 6.857842 5.170722 2.785938 4.065298 4.223389 6.519586 2.189904 5.188541 2.706917 6.902467 3.459063 4.688920 4.976344 6.068017 4.685751 7.705270 1.094432 8.318268 3.915025 8.973620 9.249474 2.153324 3.433565 6.218966 2.030678 4.319349 6.057958 5.622559 7.760541 0.000000 2.643617 4.721458 7.380934 4.973283 7.202309 3.484694 8.801262 5.995220 6.370176 2.205053 9.838639 4.153038 8.476269 2.778822 9.663643 3.910110 9.366956 1.098756 11.196433 3.420421 2.144946 10.767218 11.618743 6.238690 6.794802 4.839533 8.591984 10.618928 5.003474 8.825453 0.000000 10.816004 7.332861 4.688082 7.170402 4.920317 8.749206 3.468632 6.312629 5.970888 9.805518 2.178729 8.443636 4.079777 9.627914 2.704472 9.295761 3.917518 11.154015 1.096684 10.692802 11.558612 3.438767 2.171294 6.727388 6.227342 8.597400 4.781447 2.447822 8.735108 5.011705 12.004378 0.000000 6.263403 4.702229 7.433836 5.959817 6.456880 3.460489 8.846960 5.056669 7.180246 3.937693 9.313111 6.218392 7.140593 5.397615 8.519070 2.167966 9.945860 3.429866 10.732816 1.095075 2.184791 11.262390 11.625423 4.479566 8.100561 7.288935 6.691956 9.155193 2.471992 9.872712 4.319650 11.206793 0.000000 5.002381 5.430413 8.327692 6.250862 7.720075 3.962016 9.797921 6.328799 7.651042 3.457333 10.570456 5.913006 8.728739 4.690820 10.058875 3.437652 10.644331 2.169600 11.991411 2.187976 1.094914 12.035253 12.662136 6.135978 8.337195 6.820993 8.530205 10.860448 4.329023 10.312092 2.463061 12.638029 2.520490 0.000000 9.297646 7.447392 4.709958 6.477273 5.963755 8.859472 3.457133 7.186852 5.074132 9.345990 3.933496 7.160713 6.213093 8.540033 5.383132 9.948208 2.167707 10.768153 3.431619 11.271760 11.649558 1.095493 2.185998 8.103973 4.502097 6.743134 7.290029 5.977685 9.856299 2.472075 11.296070 4.344253 12.108332 12.724445 0.000000 11.040277 8.327202 5.430634 7.727688 6.244662 9.795672 3.960750 7.644418 6.336237 10.586715 3.456327 8.734180 5.894758 10.064916 4.667508 10.629040 3.441575 12.005032 2.171900 12.021869 12.662510 2.187962 1.095390 8.325740 6.148626 8.568672 6.816564 4.798177 10.278566 4.331895 12.700259 2.508346 12.699383 13.757371 2.517723 0.000000 0.987898 4.765758 6.924813 4.447950 7.121867 3.988861 8.220283 6.171761 5.685567 2.560517 9.435927 3.217532 8.523029 1.995042 9.540220 4.937486 8.516146 2.488080 10.694559 4.894814 3.846543 9.879716 10.899136 6.715030 5.821872 3.532127 8.870743 10.578416 5.984313 7.805942 1.872369 11.610401 5.915079 4.326884 10.256731 11.943764 0.000000 0.6942370 0.1348824 0.1129395 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= 245 246 246 247 247 MxSgAt= 37 MxSgA2= 37. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 13861 NPrTT= 72156 LenC2= 11782 LenP2D= 38027. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 258 RedAO= T EigKep= 1.42D-04 NBF= 258 NBsUse= 258 1.00D-06 EigRej= -1.00D+00 NBFU= 258 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= 246 247 247 247 247 MxSgAt= 37 MxSgA2= 37. 1 Closed 1 0 1 -920.460769254567 -920.569786540990 -0.109017286423 -920.724624497063 -0.154837956073 -920.737859923782 -0.013235426719 -920.757999200135 -0.020139276353 -920.760020268773 -0.002021068639 -920.760125234010 -0.000104965236 -920.760150438600 -0.000025204590 -920.760152504915 -0.000002066315 -920.760293764068 -0.000141259153 -920.760293824498 -0.000000060430 -920.760294075431 -0.000000250933 -920.760294290438 -0.000000215006 -920.760294310088 -0.000000019650 -920.760294311040 -0.000000000952 -920.760294311089 -0.000000000050 -920.760294311139 -0.000000000050 -920.760294311126 0.000000000013 -920.760294311 18 9.175212174126e+02 -5.477229186964e+03 1.970733783954e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=567072438. IVT= 221412 IEndB= 221412 NGot= 939524096 MDV= 381138519 LenX= 381138519 LenY= 381071514 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= 33411 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -4.56819911e-01 4.75420521e-01 3.53723720e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 8 6 6 6 6 6 6 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 -0.004154013 -0.026371501 -0.005249852 0.013048227 0.029819139 -0.000208674 -0.012467815 -0.027580958 0.000224668 0.021788843 -0.005958353 -0.002159874 -0.026576117 0.004960329 -0.000015029 -0.005871685 0.013464803 0.000368292 0.007421989 -0.015641790 0.000082583 -0.014063763 0.000915891 0.000192648 0.014257830 -0.001702282 0.000144006 -0.015401837 0.016742854 0.000197517 0.012105840 -0.009392217 -0.000043983 -0.027503452 -0.023242819 -0.002222037 0.034959333 0.025829897 -0.000031023 0.049892356 -0.020942841 0.002625557 -0.029865854 0.036147653 0.000019816 0.003106962 0.007674418 0.000088031 -0.003496011 -0.009032603 -0.000010539 -0.016119998 0.005014041 -0.000242025 0.016141524 -0.002158524 -0.000003291 0.012962497 0.017393685 -0.000049993 -0.015903791 -0.013469501 0.000834329 -0.013834325 -0.017584473 0.000020876 0.016962724 0.015593160 -0.000003302 -0.000912280 0.004570230 -0.000024657 0.000856275 -0.004196090 -0.000137273 0.000141210 -0.003649046 0.000640018 -0.004549326 0.003768063 -0.000008546 0.005394465 0.002289907 -0.000005071 0.006186443 0.002598004 -0.000005832 -0.006071480 -0.003105835 -0.000014358 -0.001313288 -0.007256312 -0.001584709 0.000144548 0.006363349 -0.000008472 -0.001495243 0.005960418 -0.000059046 -0.006511253 0.000091033 -0.000077555 0.001492662 -0.006129456 -0.000001154 0.006870617 -0.000360813 0.000000086 -0.017622815 -0.001421462 0.006727869 0.049892356 0.012536744 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -920.781978775213 -920.781990435017 -0.000011659804 -920.781990503241 -0.000000068223 -920.781990502742 0.000000000498 -920.781990516402 -0.000000013660 -920.781990516662 -0.000000000260 -920.781990516764 -0.000000000103 -920.781990516729 0.000000000036 -920.781990517 8 9.160499710791e+02 -5.431156908068e+03 1.948560695718e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=567072438. IVT= 221412 IEndB= 221412 NGot= 939524096 MDV= 381138519 LenX= 381138519 LenY= 381071514 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= 33411 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.797441 -9.972336 -9.932390 -9.930216 -9.924071 -9.921335 -9.920879 -9.919736 -9.919130 -9.918938 -9.917090 -9.916922 -9.916793 -9.915528 -9.908066 -9.907537 -9.907231 -9.906808 -9.906293 -9.906224 -9.905962 -9.904274 -9.902063 -0.976183 -0.811207 -0.797090 -0.773899 -0.748770 -0.723379 -0.715945 -0.693168 -0.689704 -0.672683 -0.652219 -0.644823 -0.588295 -0.579436 -0.570269 -0.558215 -0.547490 -0.525221 -0.519331 -0.501051 -0.471903 -0.468115 -0.453416 -0.444356 -0.434210 -0.417074 -0.414924 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Gaussian 09 GINC-KIMIK2035 CBGUSER 000077617 EM64L-G09RevD.01 17-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 105 C1[X(C22H14O)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 280.23479999999984 0 1 AuxInfo=1/0/N:23,22,20,21,19,17,16,18,15,13,8,9,12,11,5,4,7,6,10,3,2,14,1/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3/rA:37OC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHH/rB:;;s2;s3;s2;s3;s2s5;s3s4;s6;s7;s4;s5;s1s10s12;s11s13;s6;s7;s10;s11;s16;s18s20;s17;s19s22;s8;s9;s12;s13;s15;s16;s17;s18;s19;s20;s21;s22;s23;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-6213.inp" -scrdir="/scratch/" chk=000077617-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 000077617 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000034 0.000010 0.002066 0.000584 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.979485e-08 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1645.7642434821 258 608 258 77 77 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 280.23479999999984 AuxInfo=1/0/N:23,22,20,21,19,17,16,18,15,13,8,9,12,11,5,4,7,6,10,3,2,14,1/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3/rA:37OC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHH/rB:;;s2;s3;s2;s3;s2s5;s3s4;s6;s7;s4;s5;s1s10s12;s11s13;s6;s7;s10;s11;s16;s18s20;s17;s19s22;s8;s9;s12;s13;s15;s16;s17;s18;s19;s20;s21;s22;s23;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.282234 0.000000 6.152772 2.899501 0.000000 3.715623 1.450343 2.482425 0.000000 6.498560 2.480874 1.451006 2.849382 0.000000 3.798121 1.468477 4.367215 2.513193 3.841755 0.000000 7.388015 4.369088 1.470246 3.843829 2.518171 5.837159 0.000000 5.691525 1.412698 2.482443 2.450289 1.417190 2.537403 3.816429 0.000000 4.852975 2.482577 1.412817 1.418907 2.450247 3.813466 2.537075 2.812538 0.000000 2.503134 2.520741 5.211156 2.888789 5.000861 1.443169 6.653054 3.834843 4.307649 0.000000 8.653377 5.199607 2.511327 4.992830 2.877974 6.640226 1.442189 4.295107 3.827064 7.644978 0.000000 2.372869 2.500862 3.791399 1.440600 4.289969 2.874955 5.018098 3.771248 2.481458 2.477407 6.283886 0.000000 7.930028 3.797610 2.505675 4.297189 1.447813 5.024431 2.881504 2.487437 3.776936 6.298558 2.464042 5.737781 0.000000 1.405202 2.878203 4.939907 2.458411 5.146697 2.498287 6.266405 4.288975 3.747331 1.460038 7.450929 1.380230 6.564013 0.000000 8.862481 4.942885 2.879998 5.150440 2.462887 6.269475 2.502595 3.750524 4.290952 7.463413 1.449648 6.560050 1.379386 7.550240 0.000000 4.960500 2.535699 5.294849 3.836923 4.425754 1.427152 6.729382 3.008589 5.016575 2.458005 7.303697 4.301068 5.314339 3.790426 6.664925 0.000000 7.602953 5.304825 2.544448 4.438034 3.845396 6.737009 1.427329 5.025028 3.019156 7.326804 2.460032 5.319878 4.307326 6.672332 3.790907 7.789311 0.000000 2.951583 3.822928 6.610102 4.316751 6.285901 2.479849 8.062213 5.016245 5.735611 1.427963 9.009378 3.783418 7.503655 2.523225 8.733553 2.811793 8.754766 0.000000 9.869644 6.602034 3.819190 6.285391 4.305821 8.052154 2.482088 5.722889 5.017286 9.015134 1.427928 7.498744 3.761112 8.729368 2.497380 8.731461 2.820876 10.395837 0.000000 5.190807 3.824642 6.660029 4.986076 5.827720 2.473245 8.107278 4.410610 6.267613 2.842621 8.705691 5.149209 6.690103 4.302566 8.050120 1.402138 9.124466 2.437395 10.133498 0.000000 4.352642 4.335501 7.233003 5.184396 6.638644 2.867102 8.703210 5.256231 6.575497 2.466332 9.481834 4.943618 7.679780 3.808114 8.997159 2.445127 9.559830 1.401157 10.901270 1.420860 0.000000 8.951737 6.666883 3.828571 5.840726 4.986353 8.112571 2.468995 6.269135 4.421981 8.729504 2.838005 6.700464 5.141582 8.061497 4.287640 9.119441 1.403262 10.157460 2.439824 10.472889 10.948204 0.000000 10.008852 7.232089 4.335246 6.645466 5.177882 8.700541 2.865383 6.568780 5.263046 9.497200 2.462545 7.683828 4.926007 9.001923 3.784726 9.544606 2.451156 10.913833 1.401138 10.935115 11.567292 1.423069 0.000000 6.365700 2.181080 3.457705 3.455264 2.150998 2.788785 4.668050 1.095208 3.907157 4.219524 4.887391 4.674178 2.666655 4.967821 4.042269 2.698444 5.965174 5.182212 6.289116 4.042600 5.124590 7.136841 7.280584 0.000000 4.897995 3.457948 2.180077 2.152947 3.454567 4.665004 2.785328 3.906718 1.094731 4.901042 4.213141 2.663255 4.678258 4.040088 4.967947 5.957662 2.707523 6.306368 5.187626 7.138238 7.291661 4.057869 5.136382 5.001586 0.000000 2.559031 3.492746 4.129502 2.201356 4.925208 3.969205 5.128869 4.648815 2.718662 3.461708 6.502528 1.094339 6.352345 2.135099 7.000039 5.395002 5.129186 4.656584 7.585847 6.211178 5.905371 6.440958 7.569142 5.624228 2.435672 0.000000 8.377815 4.110596 3.488366 4.911285 2.192074 5.108742 3.977938 2.699582 4.640117 6.488556 3.462420 6.330946 1.096506 6.979763 2.154216 5.095954 5.403820 7.558873 4.649652 6.399467 7.532475 6.210934 5.900073 2.411517 5.616648 7.064709 0.000000 9.924214 5.915634 3.976236 6.220223 3.461579 7.177915 3.483007 4.640517 5.387323 8.431058 2.192876 7.639186 2.155199 8.595272 1.096373 7.431276 4.651090 9.656159 2.704970 8.786494 9.821496 4.899930 4.102535 4.743950 6.049066 8.095505 2.494287 0.000000 5.932539 2.765994 5.146375 4.203494 4.038894 2.185044 6.497986 2.682365 5.166581 3.454727 6.865042 4.959161 4.669626 4.677860 6.047573 1.093839 7.689873 3.905406 8.278196 2.151198 3.427482 8.950871 9.216320 2.007723 6.197766 6.042181 4.274888 6.706712 0.000000 6.857843 5.170722 2.785938 4.065297 4.223389 6.519587 2.189903 5.188541 2.706917 6.902467 3.459063 4.688920 4.976344 6.068017 4.685750 7.705270 1.094432 8.318268 3.915024 8.973619 9.249473 2.153324 3.433565 6.218966 2.030678 4.319349 6.057957 5.622559 7.760542 0.000000 2.643617 4.721458 7.380934 4.973282 7.202309 3.484693 8.801261 5.995220 6.370176 2.205052 9.838638 4.153037 8.476269 2.778822 9.663643 3.910109 9.366956 1.098755 11.196433 3.420421 2.144946 10.767218 11.618743 6.238689 6.794802 4.839533 8.591983 10.618928 5.003474 8.825452 0.000000 10.816004 7.332860 4.688082 7.170402 4.920317 8.749206 3.468633 6.312629 5.970888 9.805519 2.178729 8.443635 4.079776 9.627914 2.704472 9.295761 3.917518 11.154015 1.096684 10.692801 11.558611 3.438767 2.171294 6.727388 6.227342 8.597400 4.781446 2.447822 8.735108 5.011704 12.004377 0.000000 6.263403 4.702229 7.433836 5.959818 6.456881 3.460490 8.846960 5.056670 7.180246 3.937693 9.313111 6.218393 7.140594 5.397615 8.519071 2.167967 9.945861 3.429866 10.732816 1.095075 2.184790 11.262391 11.625423 4.479566 8.100562 7.288936 6.691957 9.155194 2.471992 9.872712 4.319650 11.206794 0.000000 5.002381 5.430413 8.327692 6.250862 7.720075 3.962016 9.797921 6.328800 7.651043 3.457333 10.570456 5.913006 8.728740 4.690820 10.058876 3.437652 10.644331 2.169600 11.991411 2.187976 1.094915 12.035254 12.662137 6.135978 8.337196 6.820994 8.530206 10.860449 4.329023 10.312093 2.463062 12.638029 2.520490 0.000000 9.297646 7.447392 4.709958 6.477273 5.963755 8.859472 3.457133 7.186852 5.074132 9.345991 3.933496 7.160712 6.213093 8.540032 5.383132 9.948208 2.167706 10.768152 3.431620 11.271760 11.649557 1.095492 2.185998 8.103974 4.502097 6.743133 7.290029 5.977685 9.856300 2.472074 11.296069 4.344254 12.108332 12.724445 0.000000 11.040278 8.327202 5.430634 7.727687 6.244662 9.795673 3.960751 7.644418 6.336237 10.586716 3.456327 8.734180 5.894757 10.064915 4.667507 10.629041 3.441575 12.005032 2.171900 12.021869 12.662509 2.187962 1.095390 8.325740 6.148626 8.568672 6.816563 4.798177 10.278567 4.331895 12.700258 2.508346 12.699383 13.757371 2.517724 0.000000 0.987897 4.765758 6.924813 4.447950 7.121867 3.988861 8.220283 6.171761 5.685566 2.560517 9.435926 3.217532 8.523030 1.995042 9.540219 4.937486 8.516146 2.488080 10.694558 4.894814 3.846543 9.879716 10.899136 6.715030 5.821872 3.532127 8.870743 10.578416 5.984313 7.805941 1.872370 11.610401 5.915080 4.326885 10.256730 11.943763 0.000000 C22H14O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 280.23479999999984 AuxInfo=1/0/N:23,22,20,21,19,17,16,18,15,13,8,9,12,11,5,4,7,6,10,3,2,14,1/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3,20.3,21.3,22.3/rA:37OC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHH/rB:;;s2;s3;s2;s3;s2s5;s3s4;s6;s7;s4;s5;s1s10s12;s11s13;s6;s7;s10;s11;s16;s18s20;s17;s19s22;s8;s9;s12;s13;s15;s16;s17;s18;s19;s20;s21;s22;s23;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.6942370 0.1348824 0.1129395 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= 13861 NPrTT= 72156 LenC2= 11782 LenP2D= 38027. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 258 RedAO= T EigKep= 1.42D-04 NBF= 258 NBsUse= 258 1.00D-06 EigRej= -1.00D+00 NBFU= 258 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= 246 247 247 247 247 MxSgAt= 37 MxSgA2= 37. 1 Closed 1 0 1 -920.506122626437 -920.606449268538 -0.100326642101 -920.742300284614 -0.135851016077 -920.758875633646 -0.016575349032 -920.779548954724 -0.020673321078 -920.781713910118 -0.002164955393 -920.781827571755 -0.000113661637 -920.781855947115 -0.000028375360 -920.781857675375 -0.000001728260 -920.781988042361 -0.000130366986 -920.781988062063 -0.000000019701 -920.781988362974 -0.000000300911 -920.781988591367 -0.000000228393 -920.781988608720 -0.000000017353 -920.781988609343 -0.000000000623 -920.781988609399 -0.000000000055 -920.781988609416 -0.000000000018 -920.781988609412 0.000000000004 -920.781988609 18 9.160499349175e+02 -5.431156721836e+03 1.948560554827e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=567072862. IVT= 221836 IEndB= 221836 NGot= 939524096 MDV= 381138095 LenX= 381138095 LenY= 381071090 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= 33411 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 37. Will process 38 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 939523464 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=566862150. 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= 33411 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 114 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 111 vectors produced by pass 0 Test12= 1.39D-14 1.00D-09 XBig12= 2.05D+03 2.34D+01. AX will form 111 AO Fock derivatives at one time. 111 vectors produced by pass 1 Test12= 1.39D-14 1.00D-09 XBig12= 2.61D+02 2.70D+00. 111 vectors produced by pass 2 Test12= 1.39D-14 1.00D-09 XBig12= 2.01D+00 1.28D-01. 111 vectors produced by pass 3 Test12= 1.39D-14 1.00D-09 XBig12= 1.22D-03 2.81D-03. 94 vectors produced by pass 4 Test12= 1.39D-14 1.00D-09 XBig12= 2.74D-07 5.58D-05. 20 vectors produced by pass 5 Test12= 1.39D-14 1.00D-09 XBig12= 3.29D-11 3.85D-07. 2 vectors produced by pass 6 Test12= 1.39D-14 1.00D-09 XBig12= 7.10D-15 6.76D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 560 with 114 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 292.75 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 527.717 -12.642 261.292 0.001 0.008 89.252 1077.674 -11.912 617.103 0.000 0.026 136.890 (Enter /mnt/data/applications/G09/g09/l716.exe) PT3721.500S 2017-06-18T00:01:42.000+02:00 -18.79744 -9.97234 -9.93239 -9.93022 -9.92407 -9.92134 -9.92088 -9.91974 -9.91913 -9.91894 -9.91709 -9.91692 -9.91679 -9.91553 -9.90807 -9.90754 -9.90723 -9.90681 -9.90629 -9.90623 -9.90596 -9.90428 -9.90206 -0.97618 -0.81121 -0.79709 -0.77390 -0.74877 -0.72338 -0.71595 -0.69317 -0.68971 -0.67268 -0.65222 -0.64482 -0.58830 -0.57944 -0.57027 -0.55822 -0.54749 -0.52522 -0.51933 -0.50105 -0.47190 -0.46811 -0.45342 -0.44436 -0.43421 -0.41707 -0.41493 -0.40184 -0.39411 -0.38577 -0.38427 -0.37750 -0.37468 -0.36994 -0.36433 -0.35645 -0.35050 -0.34198 -0.33031 -0.32907 -0.32184 -0.32065 -0.31221 -0.30093 -0.29308 -0.28944 -0.28388 -0.26945 -0.25308 -0.24249 -0.23736 -0.20994 -0.19768 -0.17550 -0.08481 -0.07596 -0.05813 -0.03597 -0.02875 0.00317 0.01863 0.02061 0.04717 0.07863 0.08663 0.09118 0.09798 0.10788 0.11020 0.12034 0.12773 0.13065 0.13254 0.13534 0.14363 0.14915 0.15605 0.16026 0.16370 0.19075 0.19763 0.20437 0.20709 0.21234 0.21757 0.22132 0.22512 0.23201 0.23587 0.24205 0.24400 0.25073 0.25108 0.25877 0.26394 0.27396 0.28447 0.28589 0.28863 0.29815 0.30087 0.31037 0.31223 0.31839 0.32299 0.32576 0.33183 0.33865 0.34202 0.34883 0.35179 0.35344 0.35398 0.35926 0.36169 0.36618 0.36730 0.36945 0.37429 0.37913 0.37913 0.38690 0.39220 0.39437 0.40322 0.40529 0.40821 0.40940 0.41138 0.41528 0.42286 0.43341 0.43522 0.44427 0.45102 0.47466 0.48001 0.48004 0.49785 0.49789 0.50318 0.50351 0.50805 0.51859 0.54240 0.54959 0.55257 0.55679 0.55801 0.59304 0.60265 0.60475 0.60784 0.61171 0.61891 0.62390 0.62898 0.64047 0.64913 0.67058 0.67850 0.68342 0.69331 0.71361 0.72298 0.74317 0.77357 0.79098 0.81732 0.82637 0.83481 0.85887 0.89117 0.89891 0.91835 0.92127 0.94247 0.94520 0.95431 0.96540 0.97150 0.98357 0.99419 1.00815 1.00949 1.01137 1.03780 1.04615 1.07775 1.09681 1.09761 1.12484 1.14184 1.15255 1.16689 1.18171 1.19199 1.21826 1.23335 1.24370 1.24770 1.28312 1.28721 1.31432 1.33194 1.37481 1.41656 1.42266 1.44451 1.49992 1.52793 1.72526 22.23125 22.40646 22.47065 22.48394 22.54482 22.56443 22.57661 22.59272 22.61572 22.64560 22.65499 22.68103 22.68777 22.70074 22.74743 22.74956 22.76816 22.77426 22.78147 22.79583 22.80505 22.82954 41.51709 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 O C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H -0.412294 0.231583 0.245407 0.553149 0.492902 0.234544 0.191119 -0.673900 -0.693689 0.345984 0.418400 -0.730888 -0.510032 0.035642 -0.482526 -0.385634 -0.367525 -0.367810 -0.435798 -0.262126 -0.280491 -0.260652 -0.250032 0.231165 0.237844 0.264275 0.240292 0.234277 0.230179 0.225475 0.185544 0.239328 0.231923 0.232971 0.227790 0.228952 0.354649 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 O C C C C C C C C C C C C C C C C C C C C C C -0.057645 0.231583 0.245407 0.553149 0.492902 0.234544 0.191119 -0.442734 -0.455844 0.345984 0.418400 -0.466613 -0.269740 0.035642 -0.248248 -0.155454 -0.142050 -0.182266 -0.196470 -0.030204 -0.047520 -0.032862 -0.021080 0.00000 5.81778246e-01 -5.29850744e-01 6.34261597e-05 5.27717079e+02 -1.26418864e+01 2.61292312e+02 1.02650221e-03 8.16918889e-03 8.92522399e+01 -8.7794 -4.3092 -0.0010 -0.0005 -0.0003 8.0603 31.8260 53.7284 67.1205 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 31.8148 53.7281 67.1192 114.4445 119.4484 142.0063 189.5315 208.9055 217.2560 220.5431 295.0215 308.4133 315.7585 353.5911 395.7790 420.5119 426.0737 439.9457 462.5354 473.4332 494.6938 514.6302 518.9411 545.2646 555.4115 562.0434 616.5404 617.1928 621.6209 680.3036 685.7833 717.5009 736.0086 742.3702 756.3048 760.6207 764.3385 796.6331 803.1515 824.0331 827.8117 861.4368 872.2884 876.4824 888.6854 913.9280 927.7594 941.0307 948.3005 957.0420 980.9489 985.1318 991.1973 1017.4676 1041.2743 1041.8808 1060.7590 1106.7573 1132.0916 1150.9272 1157.1337 1177.5929 1186.5118 1203.3718 1213.4196 1229.8498 1233.5242 1259.2526 1283.9623 1292.5052 1305.2390 1312.8318 1371.3263 1382.4704 1397.1560 1405.4635 1410.0506 1432.6738 1447.9275 1451.5640 1462.7609 1467.2093 1504.4922 1516.1063 1558.4238 1567.4421 1606.0257 1614.3708 1623.2169 1628.9342 1645.9010 3090.1790 3117.1200 3121.6782 3131.6994 3133.0131 3138.0786 3141.3195 3143.0863 3150.6577 3153.9683 3157.1458 3164.8183 3168.9418 3596.2106 4.4313 4.8558 2.1983 3.7541 5.4659 4.2418 1.7949 6.1880 4.3552 4.5625 6.0981 3.8475 5.8049 4.3195 5.8178 2.9391 2.9747 3.2307 6.4051 6.5172 6.0008 2.9502 6.5245 3.4733 5.3112 3.1579 3.2566 6.6970 6.6144 6.0781 3.7018 6.3154 2.2440 5.5999 1.3256 1.6647 6.1796 1.6888 2.0509 4.8719 1.5162 1.4709 3.9358 1.8137 1.9064 1.6316 6.0134 1.5901 1.9719 1.4117 1.4099 1.3506 1.3740 4.6270 2.1523 3.6471 2.6785 2.1716 1.8013 1.4261 1.3470 1.0824 1.0948 1.4841 1.7251 2.0189 1.9046 1.9698 1.9308 1.4758 1.9667 2.5839 3.7743 4.8885 6.9615 3.5812 2.3042 2.7997 3.0387 4.1745 2.9958 2.9730 3.6381 3.8563 5.2811 7.4938 5.6290 6.0957 6.5803 6.8771 6.9709 1.0880 1.0859 1.0862 1.0888 1.0887 1.0885 1.0934 1.0965 1.0924 1.0921 1.0918 1.0998 1.0994 1.0655 0.0026 0.0083 0.0058 0.0290 0.0459 0.0504 0.0380 0.1591 0.1211 0.1308 0.3127 0.2156 0.3410 0.3182 0.5369 0.3062 0.3182 0.3684 0.8074 0.8607 0.8652 0.4604 1.0352 0.6084 0.9653 0.5877 0.7294 1.5030 1.5059 1.6574 1.0257 1.9155 0.7162 1.8183 0.4467 0.5675 2.1271 0.6315 0.7794 1.9491 0.6122 0.6431 1.7644 0.8209 0.8871 0.8030 3.0496 0.8296 1.0448 0.7618 0.7993 0.7723 0.7953 2.8222 1.3749 2.3325 1.7757 1.5673 1.3602 1.1130 1.0626 0.8844 0.9081 1.2662 1.4965 1.7992 1.7075 1.8404 1.8754 1.4526 1.9741 2.6239 4.1818 5.5048 8.0066 4.1679 2.6993 3.3857 3.7534 5.1824 3.7766 3.7707 4.8518 5.2225 7.5569 10.8476 8.5543 9.3600 10.2153 10.7514 11.1262 6.1215 6.2166 6.2363 6.2913 6.2961 6.3153 6.3573 6.3822 6.3889 6.4005 6.4117 6.4903 6.5045 8.1185 0.8111 0.1102 26.4529 3.1613 0.5540 2.9357 66.4900 0.0076 7.5998 6.1061 4.9184 1.1609 0.7754 0.1196 7.0689 27.6833 1.2272 2.3523 0.3785 1.6753 0.5523 0.2185 1.9055 2.4882 23.0501 6.1696 1.8580 8.0230 2.7896 6.3654 15.1814 0.3326 14.9773 1.4662 5.5182 130.8143 2.6562 0.6927 0.9684 18.2894 39.1466 0.0025 7.7079 2.7610 0.4540 71.3995 3.6863 1.2778 11.0596 7.5994 0.0326 0.3924 0.0369 3.7639 6.7164 22.3601 28.2036 13.4435 135.7740 135.6460 1.3837 0.8596 10.7016 2.4200 3.5874 2.0496 34.2370 9.4144 2.5513 5.5733 6.0046 13.6391 66.5848 2.5198 8.0589 14.7319 10.7026 15.7440 6.6967 2.0259 11.2643 25.4168 15.0044 73.2290 2.3082 0.5772 0.1455 13.1649 8.9482 21.5944 73.4831 28.6884 0.4396 3.3913 10.6953 4.2313 3.7601 5.9400 30.1082 32.1518 21.7299 11.3567 46.5094 31.8878 54.1699 8 6 6 6 6 6 6 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 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