Gaussian 09 GINC-KIMIK2034 CBGUSER 000066181 EM64L-G09RevD.01 31-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 168.14979999999997 0 1 AuxInfo=1/0/N:9,10,11,12,5,6,7,8,13,14,1,2,3,4/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12,13,14)/CRV:9.3,10.3,11.3,12.3,13.3,14.3/rA:32C3C3C3C3CCCCCCCCC3C3HHHHHHHHHHHHHHHHHH/rB:s1;;s3;s1;s2;s3;s4;s5;s6s9;s7;s8s11;s1s3;s2s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-17176.inp" -scrdir="/scratch/" chk=000066181.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 000066181 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 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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 1 1 1 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 14 2 5 13 6 14 4 7 13 8 14 9 15 16 10 17 18 11 19 20 12 21 22 10 23 24 25 26 12 27 28 29 30 31 32 1.4039 1.5084 1.4028 1.5086 1.4029 1.4041 1.5083 1.4028 1.5083 1.4028 1.5275 1.0965 1.0973 1.5274 1.0967 1.0972 1.5275 1.0973 1.0966 1.5277 1.0973 1.0966 1.5231 1.0974 1.0958 1.0975 1.0958 1.5232 1.0957 1.0974 1.0957 1.0974 1.0887 1.0887 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 5 1 1 6 4 4 7 3 3 8 1 1 1 9 9 15 2 2 2 10 10 17 3 3 3 11 11 19 4 4 4 12 12 21 5 5 5 10 10 23 6 6 6 9 9 25 7 7 7 12 12 27 8 8 8 11 11 29 1 1 3 2 2 4 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 5 13 13 6 14 14 7 13 13 8 14 14 9 15 16 15 16 16 10 17 18 17 18 18 11 19 20 19 20 20 12 21 22 21 22 22 10 23 24 23 24 24 9 25 26 25 26 26 12 27 28 27 28 28 11 29 30 29 30 30 3 31 31 4 32 32 121.5262 119.3576 119.0573 121.5445 119.3621 119.0351 121.5194 119.3655 119.0572 121.5547 119.3471 119.0398 113.2407 109.914 108.0204 108.6785 109.2675 107.5658 113.2643 109.9074 108.0085 108.6826 109.2584 107.5643 113.2368 108.018 109.9087 109.2775 108.6782 107.5681 113.2659 108.0072 109.9123 109.2488 108.6826 107.5689 110.4344 109.9107 109.6239 109.5487 110.2144 107.0472 110.4533 109.9038 109.6197 109.5383 110.2228 107.0403 110.4171 109.6146 109.9189 110.2153 109.5536 107.0608 110.436 109.6219 109.9067 110.2178 109.5433 107.0536 121.2668 119.3665 119.3667 121.2648 119.3652 119.37 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 5 13 13 2 2 2 13 13 13 2 2 5 5 1 1 1 14 14 14 1 1 6 6 7 7 13 13 4 4 4 13 13 13 4 4 7 7 3 3 3 14 14 14 3 3 8 8 1 1 1 15 15 15 16 16 16 2 2 2 17 17 17 18 18 18 3 3 3 19 19 19 20 20 20 4 4 4 21 21 21 22 22 22 5 5 5 23 23 23 24 24 24 7 7 7 27 27 27 28 28 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 2 2 2 2 5 5 5 5 5 5 13 13 13 13 6 6 6 6 6 6 14 14 14 14 4 4 4 4 7 7 7 7 7 7 13 13 13 13 8 8 8 8 8 8 14 14 14 14 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 6 14 6 14 9 15 16 9 15 16 3 31 3 31 10 17 18 10 17 18 4 32 4 32 8 14 8 14 11 19 20 11 19 20 1 31 1 31 12 21 22 12 21 22 2 32 2 32 10 23 24 10 23 24 10 23 24 9 25 26 9 25 26 9 25 26 12 27 28 12 27 28 12 27 28 11 29 30 11 29 30 11 29 30 6 25 26 6 25 26 6 25 26 8 29 30 8 29 30 8 29 30 -4.1303 178.6737 178.6894 1.4935 18.6753 140.4298 -102.4792 -164.1362 -42.3817 74.7093 -1.5519 178.4998 -178.8024 1.2493 18.503 140.2744 -102.6469 -164.2921 -42.5207 74.5581 -1.5275 178.4997 -178.7944 1.2329 4.0412 -178.7633 -178.7545 -1.5591 -18.645 102.518 -140.3925 164.1423 -74.6946 42.3948 1.5852 -178.4665 178.8588 -1.1929 -18.4294 102.7085 -140.2054 164.3668 -74.4953 42.5908 1.5604 -178.4668 178.827 -1.2003 -47.2392 73.7402 -168.8617 -169.6833 -48.7039 68.6941 73.2095 -165.8111 -48.413 -47.0715 73.9027 -168.7141 -169.5261 -48.5519 68.8313 73.3712 -165.6545 -48.2713 47.2771 168.8834 -73.7026 -73.173 48.4333 165.8472 169.7116 -68.6821 48.7318 47.0635 168.69 -73.9076 -73.3718 48.2547 165.6571 169.5255 -68.848 48.5544 62.2811 -58.9105 -176.4336 -58.9137 179.8947 62.3717 -176.4463 62.3621 -55.1609 -62.3235 176.4031 58.8638 176.4264 55.1529 -62.3863 58.8736 -62.3998 -179.9391 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 192 192 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 32 32 32 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= 7260 NPrTT= 36394 LenC2= 6798 LenP2D= 23102. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 176 RedAO= T EigKep= 3.67D-04 NBF= 176 NBsUse= 176 1.00D-06 EigRej= -1.00D+00 NBFU= 176 Using GEDIIS/GDIIS optimizer. local minimum Step number 4 out of a maximum of 192 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00534 0.00582 0.00586 0.00715 0.01161 0.01169 0.01238 0.01373 0.01511 0.01812 0.02051 0.02051 0.02088 0.02757 0.02770 0.03101 0.03129 0.04098 0.04098 0.04357 0.04574 0.04982 0.04983 0.05286 0.05347 0.05811 0.05815 0.06001 0.06096 0.07241 0.07283 0.07899 0.07960 0.07961 0.07965 0.09291 0.09371 0.09501 0.09511 0.09518 0.09519 0.11314 0.11675 0.12161 0.12163 0.16000 0.16000 0.18363 0.18414 0.19045 0.19164 0.22671 0.23777 0.24206 0.24466 0.24996 0.28117 0.28725 0.28781 0.28818 0.28945 0.29095 0.30926 0.30938 0.31248 0.32363 0.33788 0.33965 0.33967 0.33969 0.33980 0.33982 0.33987 0.34056 0.34057 0.34064 0.34068 0.34154 0.34157 0.34160 0.34195 0.34226 0.34967 0.34989 0.39409 0.41135 0.43083 0.44844 0.45157 0.47592 RFO step: Lambda=-2.62126557D-07. 1 2 0.00050833 0.00000021 0.00000024 0.00000018 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 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 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 2.69076 2.88788 2.67329 2.88792 2.67329 2.69075 2.88787 2.67329 2.88792 2.67330 2.91957 2.09302 2.09917 2.91961 2.09304 2.09915 2.91957 2.09917 2.09302 2.91962 2.09914 2.09304 2.91968 2.09552 2.09169 2.09552 2.09168 2.91967 2.09168 2.09552 2.09168 2.09553 2.07813 2.07814 2.12132 2.06954 2.09215 2.12142 2.06954 2.09206 2.12132 2.06955 2.09214 2.12144 2.06953 2.09204 1.97381 1.91329 1.90037 1.92576 1.89596 1.85028 1.97398 1.91324 1.90029 1.92563 1.89607 1.85025 1.97379 1.90041 1.91327 1.89597 1.92576 1.85028 1.97399 1.90031 1.91321 1.89611 1.92559 1.85024 1.92337 1.91782 1.91658 1.90436 1.93190 1.86903 1.92353 1.91781 1.91653 1.90423 1.93195 1.86900 1.92336 1.91659 1.91782 1.93190 1.90437 1.86903 1.92356 1.91652 1.91779 1.93197 1.90422 1.86899 2.14409 2.06955 2.06955 2.14410 2.06954 2.06954 -0.04400 3.11770 3.11753 -0.00396 0.30942 2.46634 -1.79991 -2.85236 -0.69543 1.32150 0.00419 -3.13649 -3.11781 0.02470 0.30823 2.46507 -1.80129 -2.85373 -0.69689 1.31993 0.00403 -3.13666 -3.11780 0.02470 0.04381 -3.11785 -3.11765 0.00387 -0.30942 1.79992 -2.46631 2.85230 -1.32154 0.69540 -0.00415 3.13653 3.11791 -0.02459 -0.30795 1.80164 -2.46473 2.85397 -1.31963 0.69719 -0.00399 3.13670 3.11789 -0.02461 -0.82946 1.26963 -2.96204 -2.97950 -0.88042 1.17110 1.28237 -2.90173 -0.85022 -0.82832 1.27070 -2.96105 -2.97833 -0.87930 1.17213 1.28359 -2.90057 -0.84914 0.82955 2.96214 -1.26954 -1.28231 0.85027 2.90178 2.97955 -1.17105 0.88046 0.82815 2.96091 -1.27087 -1.28383 0.84893 2.90034 2.97809 -1.17233 0.87908 1.10537 -1.00181 -3.05421 -1.00181 -3.10899 1.12179 -3.05429 1.12171 -0.93069 -1.10539 3.05418 1.00179 3.05428 0.93065 -1.12174 1.00179 -1.12183 3.10896 0.00007 -0.00003 0.00006 -0.00003 0.00006 0.00007 -0.00003 0.00006 -0.00003 0.00006 -0.00004 -0.00004 -0.00003 -0.00003 -0.00005 -0.00002 -0.00004 -0.00003 -0.00004 -0.00004 -0.00002 -0.00005 0.00012 -0.00003 -0.00007 -0.00003 -0.00007 0.00012 -0.00007 -0.00003 -0.00007 -0.00003 -0.00004 -0.00004 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00003 0.00000 -0.00001 -0.00003 0.00000 0.00001 0.00003 0.00000 -0.00001 -0.00003 -0.00001 0.00001 0.00003 -0.00001 0.00000 0.00000 -0.00003 0.00001 0.00003 -0.00001 0.00000 -0.00001 -0.00003 0.00001 -0.00002 0.00001 0.00002 0.00000 0.00001 -0.00002 -0.00002 0.00001 0.00002 0.00000 0.00001 -0.00002 -0.00002 0.00002 0.00001 0.00001 0.00000 -0.00002 -0.00002 0.00002 0.00001 0.00001 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00000 0.00001 0.00002 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00002 0.00001 0.00001 0.00002 0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00001 0.00000 -0.00002 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00002 -0.00001 -0.00001 -0.00002 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00002 0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00002 0.00000 0.00000 0.00000 0.00002 0.00001 0.00000 0.00001 0.00000 -0.00002 0.00000 0.00001 0.00000 0.00002 0.00002 -0.00005 -0.00002 -0.00005 -0.00002 0.00002 -0.00005 -0.00002 -0.00005 -0.00002 -0.00005 0.00000 0.00001 -0.00006 0.00000 0.00001 -0.00005 0.00001 0.00000 -0.00006 0.00001 0.00000 0.00007 -0.00005 -0.00003 -0.00005 -0.00003 0.00007 -0.00003 -0.00005 -0.00003 -0.00005 0.00000 0.00000 -0.00004 -0.00007 0.00010 -0.00004 -0.00007 0.00011 -0.00003 -0.00007 0.00010 -0.00004 -0.00007 0.00011 0.00000 0.00001 0.00006 0.00016 -0.00012 -0.00013 0.00000 0.00002 0.00006 0.00016 -0.00012 -0.00013 0.00001 0.00006 0.00002 -0.00012 0.00016 -0.00013 0.00000 0.00006 0.00002 -0.00012 0.00016 -0.00013 -0.00011 -0.00003 0.00016 -0.00011 0.00007 0.00002 -0.00012 -0.00003 0.00016 -0.00010 0.00007 0.00002 -0.00011 0.00016 -0.00003 0.00007 -0.00010 0.00002 -0.00012 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0.00010 0.00019 -0.00012 0.00010 -0.00013 0.00010 -0.00011 -0.00012 -0.00006 -0.00012 -0.00012 -0.00005 -0.00011 -0.00006 -0.00012 -0.00012 -0.00005 -0.00013 0.00040 -0.00003 -0.00021 -0.00003 -0.00021 0.00040 -0.00021 -0.00004 -0.00020 -0.00003 -0.00008 -0.00009 -0.00006 0.00006 0.00000 -0.00009 0.00006 0.00003 -0.00006 0.00005 0.00001 -0.00010 0.00006 0.00004 0.00007 0.00017 -0.00012 -0.00016 -0.00003 0.00006 0.00003 0.00018 -0.00010 -0.00012 -0.00006 0.00007 0.00008 -0.00013 0.00018 -0.00003 -0.00016 0.00006 0.00003 -0.00011 0.00020 -0.00007 -0.00011 0.00007 -0.00014 0.00020 0.00010 -0.00007 0.00014 -0.00023 -0.00018 0.00020 0.00011 -0.00004 0.00012 -0.00022 -0.00014 0.00010 0.00020 0.00013 -0.00007 -0.00022 -0.00019 0.00011 0.00021 0.00011 -0.00003 -0.00022 -0.00011 0.00006 0.00006 -0.00012 0.00006 0.00006 -0.00087 -0.00076 -0.00072 -0.00061 0.00059 0.00056 0.00066 0.00043 0.00041 0.00051 0.00063 -0.00021 0.00078 -0.00006 0.00089 0.00088 0.00101 0.00078 0.00078 0.00090 0.00067 -0.00016 0.00078 -0.00005 0.00094 0.00082 0.00077 0.00065 -0.00060 -0.00069 -0.00059 -0.00043 -0.00052 -0.00042 -0.00065 0.00019 -0.00081 0.00003 -0.00097 -0.00112 -0.00099 -0.00085 -0.00100 -0.00087 -0.00069 0.00014 -0.00081 0.00002 -0.00022 -0.00027 -0.00036 -0.00038 -0.00042 -0.00052 -0.00034 -0.00039 -0.00049 -0.00051 -0.00054 -0.00062 -0.00067 -0.00070 -0.00078 -0.00065 -0.00068 -0.00076 0.00020 0.00034 0.00025 0.00034 0.00048 0.00039 0.00038 0.00052 0.00043 0.00055 0.00065 0.00058 0.00073 0.00082 0.00075 0.00075 0.00084 0.00077 0.00016 0.00004 0.00026 0.00004 -0.00008 0.00014 0.00028 0.00016 0.00038 -0.00015 -0.00024 -0.00003 -0.00027 -0.00036 -0.00014 -0.00003 -0.00012 0.00009 0.00021 -0.00016 0.00008 -0.00018 0.00008 0.00021 -0.00016 0.00008 -0.00018 0.00008 -0.00017 -0.00012 -0.00005 -0.00018 -0.00012 -0.00004 -0.00017 -0.00005 -0.00012 -0.00018 -0.00004 -0.00013 0.00048 -0.00008 -0.00023 -0.00008 -0.00023 0.00048 -0.00023 -0.00009 -0.00023 -0.00008 -0.00008 -0.00009 -0.00010 -0.00001 0.00011 -0.00013 -0.00001 0.00014 -0.00010 -0.00002 0.00011 -0.00014 -0.00001 0.00014 0.00008 0.00018 -0.00006 0.00000 -0.00014 -0.00007 0.00003 0.00020 -0.00003 0.00003 -0.00018 -0.00006 0.00008 -0.00008 0.00020 -0.00015 0.00000 -0.00007 0.00003 -0.00006 0.00022 -0.00019 0.00005 -0.00006 -0.00026 0.00017 0.00026 -0.00017 0.00021 -0.00020 -0.00030 0.00018 0.00027 -0.00014 0.00019 -0.00020 -0.00025 0.00025 0.00018 0.00020 -0.00018 -0.00020 -0.00030 0.00027 0.00018 0.00018 -0.00013 -0.00019 0.00003 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 -0.00103 -0.00068 -0.00062 -0.00027 0.00077 0.00095 0.00094 0.00035 0.00054 0.00052 0.00027 -0.00045 0.00067 -0.00005 0.00111 0.00132 0.00134 0.00075 0.00097 0.00098 0.00032 -0.00039 0.00067 -0.00004 0.00112 0.00075 0.00069 0.00031 -0.00079 -0.00098 -0.00100 -0.00035 -0.00054 -0.00056 -0.00029 0.00043 -0.00072 0.00000 -0.00122 -0.00148 -0.00146 -0.00083 -0.00110 -0.00108 -0.00034 0.00037 -0.00072 0.00000 -0.00043 -0.00070 -0.00069 -0.00073 -0.00099 -0.00099 -0.00056 -0.00082 -0.00082 -0.00076 -0.00101 -0.00099 -0.00107 -0.00132 -0.00129 -0.00091 -0.00116 -0.00114 0.00041 0.00066 0.00067 0.00055 0.00081 0.00082 0.00073 0.00098 0.00099 0.00082 0.00102 0.00106 0.00100 0.00121 0.00124 0.00115 0.00136 0.00139 0.00039 0.00045 0.00066 0.00045 0.00051 0.00071 0.00068 0.00074 0.00095 -0.00038 -0.00064 -0.00043 -0.00066 -0.00092 -0.00071 -0.00043 -0.00069 -0.00048 2.69097 2.88771 2.67337 2.88774 2.67337 2.69096 2.88771 2.67337 2.88775 2.67338 2.91941 2.09290 2.09912 2.91943 2.09291 2.09911 2.91940 2.09912 2.09290 2.91943 2.09911 2.09292 2.92015 2.09544 2.09145 2.09544 2.09145 2.92015 2.09145 2.09544 2.09145 2.09544 2.07805 2.07805 2.12122 2.06953 2.09225 2.12129 2.06952 2.09219 2.12122 2.06953 2.09225 2.12130 2.06952 2.09218 1.97389 1.91347 1.90031 1.92576 1.89582 1.85021 1.97401 1.91345 1.90025 1.92566 1.89590 1.85019 1.97387 1.90033 1.91347 1.89582 1.92576 1.85021 1.97402 1.90026 1.91343 1.89592 1.92564 1.85018 1.92311 1.91800 1.91684 1.90418 1.93210 1.86883 1.92323 1.91798 1.91680 1.90409 1.93214 1.86880 1.92311 1.91684 1.91799 1.93210 1.90420 1.86883 1.92325 1.91680 1.91798 1.93215 1.90408 1.86880 2.14412 2.06953 2.06953 2.14413 2.06953 2.06953 -0.04503 3.11703 3.11690 -0.00422 0.31018 2.46730 -1.79897 -2.85201 -0.69490 1.32202 0.00446 -3.13694 -3.11714 0.02465 0.30934 2.46639 -1.79995 -2.85298 -0.69593 1.32091 0.00435 -3.13705 -3.11713 0.02465 0.04494 -3.11710 -3.11696 0.00418 -0.31021 1.79895 -2.46731 2.85194 -1.32208 0.69484 -0.00444 3.13696 3.11719 -0.02459 -0.30917 1.80016 -2.46619 2.85313 -1.32072 0.69611 -0.00433 3.13708 3.11717 -0.02461 -0.82989 1.26893 -2.96274 -2.98023 -0.88141 1.17011 1.28181 -2.90255 -0.85103 -0.82908 1.26969 -2.96204 -2.97940 -0.88062 1.17084 1.28268 -2.90173 -0.85028 0.82996 2.96280 -1.26887 -1.28176 0.85108 2.90260 2.98028 -1.17007 0.88145 0.82896 2.96193 -1.26981 -1.28283 0.85014 2.90158 2.97925 -1.17097 0.88048 1.10577 -1.00136 -3.05355 -1.00136 -3.10849 1.12251 -3.05361 1.12245 -0.92974 -1.10577 3.05354 1.00136 3.05361 0.92973 -1.12245 1.00136 -1.12252 3.10849 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000124 0.000025 0.002343 0.000508 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -4.542117e-07 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 1 1 1 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 14 2 5 13 6 14 4 7 13 8 14 9 15 16 10 17 18 11 19 20 12 21 22 10 23 24 25 26 12 27 28 29 30 31 32 1.4239 1.5282 1.4146 1.5282 1.4146 1.4239 1.5282 1.4146 1.5282 1.4146 1.545 1.1076 1.1108 1.545 1.1076 1.1108 1.545 1.1108 1.1076 1.545 1.1108 1.1076 1.545 1.1089 1.1069 1.1089 1.1069 1.545 1.1069 1.1089 1.1069 1.1089 1.0997 1.0997 -DE/DX = 0.0001|-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 = 0.0001|-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 = 0.0001|-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 = -0.0001|-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 A65 A66 2 2 5 1 1 6 4 4 7 3 3 8 1 1 1 9 9 15 2 2 2 10 10 17 3 3 3 11 11 19 4 4 4 12 12 21 5 5 5 10 10 23 6 6 6 9 9 25 7 7 7 12 12 27 8 8 8 11 11 29 1 1 3 2 2 4 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 5 13 13 6 14 14 7 13 13 8 14 14 9 15 16 15 16 16 10 17 18 17 18 18 11 19 20 19 20 20 12 21 22 21 22 22 10 23 24 23 24 24 9 25 26 25 26 26 12 27 28 27 28 28 11 29 30 29 30 30 3 31 31 4 32 32 121.5429 118.5761 119.8712 121.5482 118.5758 119.8661 121.5428 118.5764 119.8711 121.5496 118.5755 119.8649 113.0912 109.6235 108.8831 110.3381 108.6306 106.0132 113.1007 109.6209 108.8783 110.3303 108.637 106.0116 113.0897 108.8854 109.6222 108.6309 110.3381 106.0134 113.1015 108.8799 109.6191 108.6389 110.3284 106.0111 110.201 109.8832 109.8121 109.1116 110.6895 107.0877 110.2102 109.8823 109.8092 109.1044 110.6926 107.0859 110.2003 109.8126 109.8827 110.6896 109.1126 107.0873 110.2117 109.8088 109.8815 110.6938 109.1036 107.0853 122.8474 118.5763 118.5762 122.848 118.576 118.576 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 5 13 13 2 2 2 13 13 13 2 2 5 5 1 1 1 14 14 14 1 1 6 6 7 7 13 13 4 4 4 13 13 13 4 4 7 7 3 3 3 14 14 14 3 3 8 8 1 1 1 15 15 15 16 16 16 2 2 2 17 17 17 18 18 18 3 3 3 19 19 19 20 20 20 4 4 4 21 21 21 22 22 22 5 5 5 23 23 23 24 24 24 7 7 7 27 27 27 28 28 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 2 2 2 2 5 5 5 5 5 5 13 13 13 13 6 6 6 6 6 6 14 14 14 14 4 4 4 4 7 7 7 7 7 7 13 13 13 13 8 8 8 8 8 8 14 14 14 14 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 6 14 6 14 9 15 16 9 15 16 3 31 3 31 10 17 18 10 17 18 4 32 4 32 8 14 8 14 11 19 20 11 19 20 1 31 1 31 12 21 22 12 21 22 2 32 2 32 10 23 24 10 23 24 10 23 24 9 25 26 9 25 26 9 25 26 12 27 28 12 27 28 12 27 28 11 29 30 11 29 30 11 29 30 6 25 26 6 25 26 6 25 26 8 29 30 8 29 30 8 29 -2.521 178.6313 178.6211 -0.2267 17.7283 141.3111 -103.1272 -163.4283 -39.8455 75.7162 0.2404 -179.7074 -178.6372 1.415 17.6602 141.2379 -103.2065 -163.5067 -39.929 75.6266 0.2309 -179.7174 -178.6368 1.4149 2.5102 -178.6397 -178.6284 0.2217 -17.7285 103.1281 -141.3094 163.4245 -75.7189 39.8436 -0.2379 179.7099 178.6432 -1.4091 -17.6443 103.2265 -141.2186 163.5202 -75.609 39.9459 -0.2284 179.72 178.6417 -1.41 -47.5243 72.7445 -169.7126 -170.7128 -50.4441 67.0989 73.4744 -166.2568 -48.7139 -47.4592 72.8059 -169.6556 -170.6455 -50.3803 67.1582 73.5442 -166.1906 -48.6521 47.5297 169.718 -72.7395 -73.4711 48.7171 166.2596 170.7156 -67.0961 50.4464 47.4492 169.6477 -72.8153 -73.5581 48.6404 166.1774 170.6322 -67.1693 50.3677 63.3332 -57.3995 -174.9934 -57.3993 -178.132 64.2741 -174.998 64.2693 -53.3246 -63.3339 174.9915 57.3982 174.9971 53.3225 -64.2709 57.3983 -64.2763 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 168.14979999999997 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AuxInfo=1/0/N:9,10,11,12,5,6,7,8,13,14,1,2,3,4/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12,13,14)/CRV:9.3,10.3,11.3,12.3,13.3,14.3/rA:32C3C3C3C3CCCCCCCCC3C3HHHHHHHHHHHHHHHHHH/rB:s1;;s3;s1;s2;s3;s4;s5;s6s9;s7;s8s11;s1s3;s2s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.423888 0.000000 2.484629 2.863710 0.000000 2.863716 2.484636 1.423884 0.000000 1.528198 2.576727 3.870297 4.391283 0.000000 2.576814 1.528222 4.391298 3.870279 3.023477 0.000000 3.870296 4.391279 1.528198 2.576721 5.088810 5.919193 0.000000 4.391306 3.870270 2.576830 1.528224 5.919199 5.088695 3.023499 0.000000 2.564038 2.914734 5.034783 5.222119 1.544971 2.534439 6.390595 6.698927 0.000000 2.914891 2.564214 5.222418 5.035106 2.534283 1.544988 6.699278 6.390899 1.545026 0.000000 5.034744 5.222061 2.564015 2.914695 6.390567 6.698858 1.544971 2.534463 7.556302 7.713112 0.000000 5.222438 5.035139 2.914891 2.564230 6.699287 6.390957 2.534268 1.544994 7.713176 7.557333 1.545023 0.000000 1.414643 2.440420 1.414646 2.440423 2.547555 3.858133 2.547556 3.858149 3.863251 4.321815 3.863227 4.321820 0.000000 2.440416 1.414643 2.440412 1.414647 3.858067 2.547510 3.858066 2.547501 4.321569 3.863528 4.321518 3.863568 2.777205 0.000000 2.167717 3.396118 4.107607 4.869000 1.107579 3.957956 5.114603 6.371648 2.191606 3.495966 6.467212 7.017746 2.722620 4.555139 0.000000 2.160586 3.176035 4.254659 4.849857 1.110832 3.586103 5.361772 6.354018 2.171962 2.874621 6.750809 7.008909 2.948416 4.387745 1.771856 0.000000 3.395865 2.167711 4.868992 4.107817 3.957389 1.107587 6.371604 5.114885 3.495946 2.191529 7.017753 6.468061 4.554972 2.722946 4.960113 4.331071 0.000000 3.176592 2.160540 4.849702 4.254056 3.587085 1.110824 6.353803 5.360750 2.875507 2.172055 7.007695 6.750099 4.388046 2.947626 4.333002 4.353532 1.771838 0.000000 4.254739 4.849958 2.160615 3.176064 5.361828 6.354149 1.110831 3.586079 6.750893 7.009002 2.171965 2.874580 2.948469 4.387825 5.443413 5.406952 6.727144 6.940969 0.000000 4.107555 4.868933 2.167700 3.396093 5.114571 6.371552 1.107578 3.958000 6.467193 7.017690 2.191605 3.495957 2.722587 4.555089 4.899430 5.443360 6.972134 6.727136 1.771858 0.000000 4.849782 4.253996 3.176760 2.160559 6.353919 5.360612 3.587301 1.110820 7.007832 6.749998 2.875683 2.172082 4.388211 2.947504 6.727406 6.940949 5.442586 5.404720 4.353671 4.333284 0.000000 4.868933 4.107815 3.395781 2.167692 6.371516 5.114953 3.957300 1.107591 7.017775 6.467970 3.495934 2.191512 4.554882 2.722988 6.972137 6.726858 4.900203 5.442932 4.330887 4.960062 1.771832 0.000000 2.924328 3.150086 5.218996 5.348785 2.186766 2.743270 6.561487 6.767345 1.108902 2.176846 7.619558 7.846992 4.136883 4.450053 2.471671 3.084250 3.795871 2.642354 7.083553 6.554053 6.901542 7.159806 0.000000 3.505583 3.978391 5.971851 6.261117 2.184336 3.502229 7.255601 7.754816 1.106872 2.195604 8.503531 8.712953 4.708683 5.392113 2.575783 2.433422 4.354895 3.834755 7.535726 7.261218 8.096367 8.066143 1.782174 0.000000 3.150673 2.925026 5.350008 5.220300 2.742969 2.186771 6.768719 6.562905 2.176754 1.108904 7.848358 7.622072 4.451011 4.138007 3.795437 2.641083 2.471179 3.084211 6.903738 7.160434 7.083762 6.555695 3.089980 2.552173 0.000000 3.978442 3.505617 6.261209 5.971948 3.502130 2.184313 7.754944 7.255635 2.195642 1.106871 8.712533 8.504288 5.392198 4.708752 4.354991 3.834034 2.576048 2.433129 8.097392 8.065862 7.534296 7.261947 2.552357 2.505892 1.782154 0.000000 5.971839 6.261094 3.505578 3.978374 7.255595 7.754787 2.184342 3.502246 8.503545 8.712930 1.106871 2.195601 4.708679 5.392094 7.261236 7.535685 8.066196 8.096240 2.433454 2.575772 3.834894 4.354877 8.597975 9.407378 8.792124 9.735585 0.000000 5.218853 5.348583 2.924255 3.149968 6.561382 6.767092 2.186761 2.743305 7.619466 7.846794 1.108904 2.176857 4.136794 4.449869 6.554024 7.083406 7.159543 6.901204 3.084253 2.471678 2.642588 3.795936 7.520517 8.597895 8.132412 8.789999 1.782170 0.000000 6.261213 5.971952 3.978439 3.505615 7.754945 7.255657 3.502125 2.184312 8.712586 8.504260 2.195653 1.106870 5.392199 4.708760 8.065920 8.097291 7.261970 7.534384 3.833999 4.354998 2.433086 2.576096 8.790194 9.735602 8.600346 9.407752 2.505893 2.552400 0.000000 5.350097 5.220455 3.150692 2.925112 6.768767 6.563131 2.742928 2.186767 7.848477 7.622185 2.176741 1.108905 4.451042 4.138172 7.160494 6.903676 6.556032 7.084033 2.641004 3.795392 3.084204 2.471069 8.132658 8.792177 7.524769 8.600493 2.552169 3.089981 1.782147 0.000000 2.167674 3.432917 2.167676 3.432917 2.725731 4.740545 2.725729 4.740564 4.207197 4.942585 4.207184 4.942576 1.099700 3.876902 2.528130 2.963407 5.504049 5.262706 2.963431 2.528114 5.262924 5.503935 4.505955 4.868337 5.014800 6.006143 4.868336 4.505910 6.006139 5.014781 0.000000 3.432916 2.167674 3.432913 2.167678 4.740465 2.725633 4.740465 2.725613 4.942359 4.207468 4.942305 4.207518 3.876907 1.099705 5.504289 5.262218 2.528777 2.962071 5.262300 5.504238 2.961807 2.528906 5.013932 6.006056 4.507078 4.868399 6.006035 5.013736 4.868411 4.507279 4.976606 0.000000 1.7967223 0.3914384 0.3302849 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= 174 174 174 174 174 MxSgAt= 32 MxSgA2= 32. 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 32 32 32 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 32 32 32 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 32 32 32 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= 7260 NPrTT= 36394 LenC2= 6782 LenP2D= 22987. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 176 RedAO= T EigKep= 4.03D-04 NBF= 176 NBsUse= 176 1.00D-06 EigRej= -1.00D+00 NBFU= 176 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= 174 174 174 174 174 MxSgAt= 32 MxSgA2= 32. 1 Closed 1 0 1 -543.238365760561 -543.340537612547 -0.102171851986 -543.543193002451 -0.202655389904 -543.543769008103 -0.000576005652 -543.546345923322 -0.002576915219 -543.546374949152 -0.000029025829 -543.546378994925 -0.000004045773 -543.546233366024 0.000145628901 -543.546233819762 -0.000000453737 -543.546233642828 0.000000176933 -543.546233920300 -0.000000277472 -543.546233921361 -0.000000001061 -543.546233921496 -0.000000000134 -543.546233921532 -0.000000000036 -543.546233921514 0.000000000018 -543.546233922 15 5.413247938917e+02 -3.009383012153e+03 1.050507676362e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=124199858. IVT= 113654 IEndB= 113654 NGot= 939524096 MDV= 818096767 LenX= 818096767 LenY= 818065350 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= 15576 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 1.94282765e-04 -4.90230143e-04 1.75159051e-04 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.001396196 0.008996379 -0.002909080 -0.001336451 -0.009148893 0.002863285 0.001410457 0.008886932 -0.002878930 0.001232252 -0.008912967 0.002845729 -0.002568727 0.000599352 0.003288503 -0.002481037 -0.000593652 -0.003275491 0.002570555 0.000643148 0.003335296 0.002709059 -0.000555699 -0.003199832 -0.003046228 0.002849179 -0.001249100 -0.003063334 -0.002843942 0.001177525 0.002970651 0.002827923 -0.001357263 0.002936814 -0.002853187 0.001285324 0.000013015 -0.004074086 0.002017511 -0.000054174 0.004188450 -0.001988579 0.002083322 0.007283973 0.001176859 -0.002592446 0.004445102 -0.006784640 0.002068900 -0.007216764 -0.001156231 -0.002560490 -0.004483982 0.006814702 0.002625302 0.004456526 -0.006772378 -0.002078878 0.007229407 0.001143706 0.002564502 -0.004490098 0.006743271 -0.002070796 -0.007252865 -0.001192390 0.000077764 -0.001119605 0.007121552 -0.006201750 0.004070863 -0.000748017 0.000047200 0.001137511 -0.007107612 -0.006207063 -0.004072126 0.000769306 0.006243090 0.004085954 -0.000731844 -0.000079586 -0.001123090 0.007120392 0.006221057 -0.004102612 0.000756802 -0.000040116 0.001146315 -0.007107853 0.000003151 0.006645416 0.000460191 0.000000183 -0.006648861 -0.000460714 0.009148893 0.004075561 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -543.552231311718 -543.552257587795 -0.000026276077 -543.552257518331 0.000000069464 -543.552257718858 -0.000000200527 -543.552257720831 -0.000000001973 -543.552257721797 -0.000000000966 -543.552257721864 -0.000000000067 -543.552257721875 -0.000000000011 -543.552257722 8 5.405381122665e+02 -2.988044646268e+03 1.040298503806e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=124199858. IVT= 113654 IEndB= 113654 NGot= 939524096 MDV= 818096767 LenX= 818096767 LenY= 818065350 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= 15576 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 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 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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 -9.89519 -9.89518 -9.89492 -9.89490 -9.88890 -9.88890 -9.88890 -9.88889 -9.88664 -9.88664 -9.88655 -9.88655 -9.88315 -9.88314 -0.77675 -0.74354 -0.70734 -0.69004 -0.66519 -0.65347 -0.61802 -0.57519 -0.53817 -0.53790 -0.52667 -0.50198 -0.45878 -0.42822 -0.42264 -0.41054 -0.38838 -0.37712 -0.37342 -0.37149 -0.36292 -0.36073 -0.34644 -0.33106 -0.32894 -0.32526 -0.31703 -0.30337 -0.28454 -0.28197 -0.27947 -0.27019 -0.26960 -0.25924 -0.24996 -0.19860 -0.18789 -0.02525 -0.01328 0.09129 0.09181 0.10606 0.10820 0.11321 0.11847 0.11998 0.12034 0.12121 0.13109 0.14892 0.15050 0.16367 0.16589 0.17380 0.17803 0.18959 0.19186 0.19207 0.19226 0.20092 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1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 H 1S|2S|16 H 1S|2S|17 H 1S|2S|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S 1.17438 0.81383 0.74987 0.44152 0.90868 0.90791 0.76819 -0.08370 -0.17826 0.20810 1.17438 0.81383 0.74987 0.44155 0.90867 0.90791 0.76819 -0.08372 -0.17806 0.20813 1.17438 0.81383 0.74987 0.44153 0.90868 0.90791 0.76819 -0.08371 -0.17825 0.20810 1.17438 0.81383 0.74987 0.44155 0.90867 0.90792 0.76819 -0.08372 -0.17804 0.20813 1.17426 0.81418 0.72170 0.65483 0.86450 0.89578 0.91461 0.09779 0.18678 0.21507 1.17426 0.81418 0.72170 0.65480 0.86447 0.89576 0.91466 0.09774 0.18671 0.21513 1.17426 0.81418 0.72170 0.65483 0.86451 0.89578 0.91461 0.09780 0.18677 0.21507 1.17426 0.81418 0.72170 0.65479 0.86447 0.89576 0.91467 0.09773 0.18669 0.21515 1.17430 0.81426 0.72186 0.63106 0.88543 0.86760 0.90181 0.15445 0.07780 0.18295 1.17430 0.81426 0.72186 0.63106 0.88539 0.86761 0.90184 0.15446 0.07778 0.18303 1.17430 0.81426 0.72186 0.63107 0.88544 0.86760 0.90181 0.15445 0.07781 0.18294 1.17430 0.81426 0.72186 0.63106 0.88539 0.86761 0.90184 0.15447 0.07778 0.18303 1.17434 0.81391 0.74396 0.59627 0.92348 0.92682 0.77774 0.10909 0.25608 0.26861 1.17434 0.81391 0.74395 0.59631 0.92349 0.92681 0.77776 0.10865 0.25602 0.26860 0.51384 0.26673 0.51133 0.27502 0.51383 0.26676 0.51133 0.27499 0.51133 0.27503 0.51384 0.26673 0.51133 0.27499 0.51382 0.26676 0.51334 0.28381 0.51523 0.28024 0.51334 0.28381 0.51523 0.28021 0.51523 0.28024 0.51333 0.28381 0.51523 0.28021 0.51334 0.28381 0.51728 0.25028 0.51728 0.25030 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 C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H 0.289471 0.289262 0.289465 0.289229 -0.539510 -0.539414 -0.539509 -0.539392 -0.411532 -0.411592 -0.411529 -0.411605 -0.590312 -0.589830 0.219433 0.213650 0.219416 0.213673 0.213648 0.219434 0.213677 0.219414 0.202853 0.204534 0.202848 0.204559 0.204532 0.202853 0.204563 0.202847 0.232441 0.232423 0.00000 -1.99253520e-06 -2.77474084e-04 4.95731014e-05 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.0000 -0.0007 0.0001 0.0007 -78.1431 -80.3018 -86.6095 -0.0002 -0.0001 -0.6198 3.5417 1.3830 -4.9247 -0.0002 -0.0001 -0.6198 0.0018 0.0121 -0.0422 0.0013 0.0025 -0.0176 0.0004 -0.0018 -0.0111 0.0004 -3614.9478 -827.2417 -166.6342 -0.0182 -0.0296 -0.0193 7.5041 -0.0320 -1.6748 -741.0559 -634.9939 -172.4984 -10.1557 -0.0096 -0.0078 0 -543.5522577 8.555E-9 5.659E-5 2.6331839,1.0282086,-3.6613925,-0.0001121,-0.0000386,-0.4608363 C01 [X(C14H18)] -0.000002 -0.0002775 0.0000496 @ -0.000070964 0.000077963 0.000009991 -0.000070816 -0.000081505 -0.000007638 0.000072116 0.000079587 0.000010812 0.000069017 -0.000083152 -0.000008076 0.000030222 -0.000027788 -0.000008964 0.000033723 0.000028672 0.000004177 -0.000029998 -0.000028449 -0.000007505 -0.000032659 0.000028001 0.000000131 -0.000017642 0.000209190 0.000024741 -0.000018274 -0.000210113 -0.000024378 0.000017098 0.000209749 0.000027237 0.000016648 -0.000211547 -0.000025950 -0.000000194 0.000092607 0.000039045 0.000000170 -0.000091385 -0.000047355 -0.000023810 -0.000030417 -0.000040554 0.000002493 -0.000028458 0.000010557 -0.000022859 0.000029039 0.000045565 -0.000001573 0.000032195 -0.000007933 -0.000003357 -0.000029063 0.000009726 0.000024576 -0.000029865 -0.000040900 0.000001504 0.000034221 -0.000006017 0.000023300 0.000029269 0.000047556 -0.000022856 0.000001782 -0.000032971 0.000051852 -0.000036160 0.000046030 -0.000021746 -0.000002253 0.000032698 0.000051079 0.000036625 -0.000046808 -0.000051685 -0.000035930 0.000044972 0.000022870 0.000001214 -0.000033898 -0.000050206 0.000037011 -0.000046033 0.000021821 -0.000001935 0.000033180 0.000000099 -0.000039513 -0.000024007 0.000000050 0.000040407 0.000022567 168.14979999999997 AuxInfo=1/0/N:9,10,11,12,5,6,7,8,13,14,1,2,3,4/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12,13,14)/CRV:9.3,10.3,11.3,12.3,13.3,14.3/rA:32C3C3C3C3CCCCCCCCC3C3HHHHHHHHHHHHHHHHHH/rB:s1;;s3;s1;s2;s3;s4;s5;s6s9;s7;s8s11;s1s3;s2s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2024 CBGUSER 000066181 EM64L-G09RevD.01 31-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 90 C1[X(C14H18)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 168.14979999999997 0 1 AuxInfo=1/0/N:9,10,11,12,5,6,7,8,13,14,1,2,3,4/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12,13,14)/CRV:9.3,10.3,11.3,12.3,13.3,14.3/rA:32C3C3C3C3CCCCCCCCC3C3HHHHHHHHHHHHHHHHHH/rB:s1;;s3;s1;s2;s3;s4;s5;s6s9;s7;s8s11;s1s3;s2s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-7238.inp" -scrdir="/scratch/" chk=000066181-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 000066181 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 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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| 0.000201 0.000054 0.004472 0.001392 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -6.126395e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 863.6557552458 176 408 176 51 51 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 32 32 32 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 0 168.14979999999997 AuxInfo=1/0/N:9,10,11,12,5,6,7,8,13,14,1,2,3,4/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12,13,14)/CRV:9.3,10.3,11.3,12.3,13.3,14.3/rA:32C3C3C3C3CCCCCCCCC3C3HHHHHHHHHHHHHHHHHH/rB:s1;;s3;s1;s2;s3;s4;s5;s6s9;s7;s8s11;s1s3;s2s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.423888 0.000000 2.484629 2.863710 0.000000 2.863716 2.484637 1.423884 0.000000 1.528198 2.576727 3.870296 4.391283 0.000000 2.576814 1.528222 4.391297 3.870279 3.023478 0.000000 3.870296 4.391280 1.528197 2.576721 5.088810 5.919193 0.000000 4.391306 3.870270 2.576830 1.528223 5.919200 5.088695 3.023498 0.000000 2.564038 2.914734 5.034783 5.222120 1.544972 2.534440 6.390595 6.698928 0.000000 2.914890 2.564213 5.222418 5.035106 2.534283 1.544989 6.699278 6.390899 1.545026 0.000000 5.034744 5.222062 2.564016 2.914695 6.390568 6.698858 1.544972 2.534462 7.556303 7.713112 0.000000 5.222439 5.035140 2.914892 2.564230 6.699287 6.390957 2.534269 1.544994 7.713177 7.557333 1.545023 0.000000 1.414643 2.440420 1.414646 2.440422 2.547555 3.858132 2.547556 3.858149 3.863251 4.321814 3.863228 4.321821 0.000000 2.440416 1.414643 2.440413 1.414648 3.858067 2.547510 3.858066 2.547501 4.321570 3.863528 4.321518 3.863568 2.777205 0.000000 2.167717 3.396119 4.107607 4.869000 1.107578 3.957956 5.114603 6.371649 2.191606 3.495965 6.467213 7.017747 2.722620 4.555139 0.000000 2.160586 3.176035 4.254658 4.849857 1.110832 3.586103 5.361772 6.354018 2.171962 2.874621 6.750809 7.008910 2.948415 4.387745 1.771856 0.000000 3.395865 2.167711 4.868992 4.107817 3.957390 1.107587 6.371605 5.114885 3.495946 2.191529 7.017753 6.468061 4.554972 2.722946 4.960114 4.331072 0.000000 3.176591 2.160539 4.849702 4.254056 3.587084 1.110823 6.353802 5.360750 2.875507 2.172055 7.007695 6.750099 4.388045 2.947626 4.333001 4.353532 1.771837 0.000000 4.254740 4.849958 2.160616 3.176064 5.361828 6.354149 1.110832 3.586079 6.750893 7.009003 2.171965 2.874580 2.948470 4.387825 5.443414 5.406952 6.727144 6.940969 0.000000 4.107556 4.868933 2.167700 3.396092 5.114571 6.371552 1.107578 3.957999 6.467193 7.017690 2.191606 3.495957 2.722588 4.555089 4.899430 5.443360 6.972134 6.727135 1.771859 0.000000 4.849782 4.253997 3.176760 2.160559 6.353919 5.360611 3.587301 1.110820 7.007832 6.749997 2.875682 2.172083 4.388211 2.947504 6.727406 6.940949 5.442585 5.404720 4.353671 4.333283 0.000000 4.868934 4.107816 3.395781 2.167693 6.371517 5.114952 3.957301 1.107592 7.017776 6.467970 3.495934 2.191512 4.554882 2.722988 6.972137 6.726859 4.900203 5.442932 4.330888 4.960062 1.771832 0.000000 2.924328 3.150086 5.218996 5.348785 2.186766 2.743270 6.561487 6.767345 1.108902 2.176846 7.619559 7.846993 4.136882 4.450053 2.471670 3.084249 3.795871 2.642354 7.083553 6.554053 6.901541 7.159806 0.000000 3.505583 3.978391 5.971851 6.261117 2.184336 3.502229 7.255601 7.754816 1.106872 2.195603 8.503531 8.712954 4.708683 5.392114 2.575783 2.433423 4.354895 3.834755 7.535727 7.261218 8.096367 8.066144 1.782174 0.000000 3.150673 2.925026 5.350008 5.220301 2.742969 2.186772 6.768719 6.562906 2.176754 1.108904 7.848358 7.622073 4.451010 4.138008 3.795437 2.641084 2.471180 3.084211 6.903739 7.160434 7.083762 6.555696 3.089980 2.552173 0.000000 3.978441 3.505616 6.261208 5.971948 3.502130 2.184313 7.754944 7.255635 2.195642 1.106871 8.712532 8.504288 5.392197 4.708752 4.354991 3.834034 2.576048 2.433128 8.097392 8.065862 7.534295 7.261947 2.552357 2.505891 1.782153 0.000000 5.971840 6.261094 3.505578 3.978373 7.255595 7.754787 2.184343 3.502246 8.503545 8.712930 1.106871 2.195600 4.708679 5.392094 7.261236 7.535685 8.066196 8.096239 2.433454 2.575772 3.834894 4.354877 8.597975 9.407378 8.792125 9.735584 0.000000 5.218854 5.348584 2.924256 3.149968 6.561382 6.767091 2.186762 2.743305 7.619466 7.846794 1.108904 2.176858 4.136794 4.449870 6.554024 7.083405 7.159543 6.901204 3.084253 2.471678 2.642588 3.795936 7.520517 8.597895 8.132413 8.789999 1.782170 0.000000 6.261213 5.971952 3.978439 3.505615 7.754945 7.255657 3.502126 2.184312 8.712586 8.504260 2.195652 1.106870 5.392199 4.708761 8.065920 8.097291 7.261970 7.534384 3.833998 4.354998 2.433086 2.576096 8.790194 9.735602 8.600347 9.407752 2.505892 2.552400 0.000000 5.350097 5.220456 3.150692 2.925112 6.768768 6.563131 2.742928 2.186766 7.848478 7.622185 2.176741 1.108904 4.451042 4.138172 7.160495 6.903676 6.556032 7.084033 2.641004 3.795392 3.084204 2.471069 8.132658 8.792178 7.524769 8.600493 2.552169 3.089981 1.782146 0.000000 2.167675 3.432917 2.167676 3.432917 2.725731 4.740546 2.725728 4.740564 4.207197 4.942584 4.207185 4.942577 1.099701 3.876903 2.528130 2.963406 5.504049 5.262706 2.963431 2.528114 5.262924 5.503935 4.505955 4.868338 5.014800 6.006143 4.868336 4.505910 6.006139 5.014782 0.000000 3.432915 2.167674 3.432913 2.167678 4.740465 2.725632 4.740465 2.725613 4.942359 4.207467 4.942305 4.207519 3.876906 1.099704 5.504289 5.262218 2.528776 2.962071 5.262300 5.504238 2.961807 2.528906 5.013932 6.006056 4.507078 4.868398 6.006035 5.013736 4.868412 4.507278 4.976606 0.000000 C14H18 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 0 168.14979999999997 AuxInfo=1/0/N:9,10,11,12,5,6,7,8,13,14,1,2,3,4/E:(1,2,3,4)(5,6,7,8)(9,10)(11,12,13,14)/CRV:9.3,10.3,11.3,12.3,13.3,14.3/rA:32C3C3C3C3CCCCCCCCC3C3HHHHHHHHHHHHHHHHHH/rB:s1;;s3;s1;s2;s3;s4;s5;s6s9;s7;s8s11;s1s3;s2s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1.7967223 0.3914384 0.3302848 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= 7260 NPrTT= 36394 LenC2= 6782 LenP2D= 22987. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 176 RedAO= T EigKep= 4.03D-04 NBF= 176 NBsUse= 176 1.00D-06 EigRej= -1.00D+00 NBFU= 176 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= 174 174 174 174 174 MxSgAt= 32 MxSgA2= 32. 1 Closed 1 0 1 -543.269265814926 -543.362038239470 -0.092772424544 -543.549711700677 -0.187673461207 -543.549980958211 -0.000269257534 -543.552390901791 -0.002409943579 -543.552421466013 -0.000030564222 -543.552425897198 -0.000004431185 -543.552251961409 0.000173935790 -543.552252437471 -0.000000476062 -543.552252419488 0.000000017983 -543.552252445219 -0.000000025731 -543.552252446506 -0.000000001286 -543.552252446661 -0.000000000155 -543.552252446668 -0.000000000007 -543.552252447 14 5.405381386466e+02 -2.988044651812e+03 1.040298505473e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=124200154. IVT= 113950 IEndB= 113950 NGot= 939524096 MDV= 818096471 LenX= 818096471 LenY= 818065054 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= 15576 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= 32. Will process 33 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111 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= 939523596 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=124095562. 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= 15576 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 6.44D-15 1.01D-09 XBig12= 2.65D+02 9.86D+00. AX will form 96 AO Fock derivatives at one time. 96 vectors produced by pass 1 Test12= 6.44D-15 1.01D-09 XBig12= 7.47D+01 2.22D+00. 96 vectors produced by pass 2 Test12= 6.44D-15 1.01D-09 XBig12= 1.68D-01 5.22D-02. 96 vectors produced by pass 3 Test12= 6.44D-15 1.01D-09 XBig12= 2.97D-05 7.19D-04. 46 vectors produced by pass 4 Test12= 6.44D-15 1.01D-09 XBig12= 2.32D-09 8.32D-06. 5 vectors produced by pass 5 Test12= 6.44D-15 1.01D-09 XBig12= 5.25D-14 2.46D-08. 2 vectors produced by pass 6 Test12= 6.44D-15 1.01D-09 XBig12= 1.23D-16 1.78D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 437 with 99 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 144.87 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 194.203 0.000 146.836 0.001 2.032 93.566 296.608 -0.001 281.067 0.003 7.783 161.720 (Enter /mnt/data/applications/G09/g09/l716.exe) PT1702.700S 2017-05-31T00:50:45.000+02:00 -9.89519 -9.89518 -9.89492 -9.89490 -9.88890 -9.88890 -9.88890 -9.88889 -9.88664 -9.88663 -9.88655 -9.88655 -9.88315 -9.88314 -0.77675 -0.74354 -0.70734 -0.69004 -0.66519 -0.65347 -0.61802 -0.57519 -0.53817 -0.53790 -0.52667 -0.50198 -0.45878 -0.42822 -0.42264 -0.41054 -0.38838 -0.37712 -0.37342 -0.37149 -0.36292 -0.36073 -0.34644 -0.33106 -0.32894 -0.32526 -0.31703 -0.30337 -0.28454 -0.28197 -0.27947 -0.27019 -0.26960 -0.25924 -0.24996 -0.19860 -0.18789 -0.02525 -0.01328 0.09129 0.09181 0.10606 0.10820 0.11321 0.11847 0.11998 0.12034 0.12121 0.13109 0.14892 0.15050 0.16367 0.16589 0.17380 0.17803 0.18959 0.19186 0.19207 0.19226 0.20092 0.20128 0.20867 0.21413 0.21839 0.23037 0.23550 0.25009 0.25755 0.26068 0.26869 0.27860 0.28125 0.28327 0.28706 0.29444 0.29480 0.32140 0.32353 0.33377 0.35068 0.35527 0.36769 0.36949 0.37672 0.38571 0.38976 0.40387 0.40459 0.41074 0.41186 0.43388 0.44093 0.44207 0.44640 0.45444 0.46596 0.46971 0.48990 0.49315 0.49516 0.53022 0.54430 0.54853 0.56426 0.57826 0.58719 0.59299 0.62121 0.63333 0.66020 0.68088 0.72057 0.78753 0.79330 0.84074 0.85467 0.87247 0.88137 0.92183 0.94873 0.95096 0.98068 0.98214 0.98805 1.00545 1.01848 1.02886 1.08558 1.09848 1.10277 1.11646 1.12784 1.12945 1.13175 1.14387 1.16510 1.18217 1.20339 1.21062 1.22019 1.29010 1.29955 1.37238 1.41775 1.43212 1.43406 1.43589 1.48475 22.34901 22.54054 22.55622 22.60155 22.62251 22.62359 22.65568 22.67853 22.68934 22.69308 22.70134 22.75510 22.79699 22.83847 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 C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H 0.289471 0.289263 0.289466 0.289230 -0.539504 -0.539408 -0.539502 -0.539386 -0.411532 -0.411592 -0.411529 -0.411604 -0.590317 -0.589835 0.219432 0.213648 0.219415 0.213671 0.213645 0.219433 0.213675 0.219412 0.202851 0.204534 0.202846 0.204560 0.204532 0.202851 0.204563 0.202845 0.232442 0.232425 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 C C C C C C C C C C C C C C 0.289471 0.289263 0.289466 0.289230 -0.106424 -0.106322 -0.106424 -0.106299 -0.004147 -0.004187 -0.004146 -0.004196 -0.357875 -0.357410 0.00000 2.22673606e-06 2.79244440e-04 4.86114738e-05 1.94202804e+02 -4.09910613e-04 1.46836071e+02 9.25074036e-04 2.03151644e+00 9.35658832e+01 -23.3049 -0.0004 0.0002 0.0004 4.1949 7.5646 61.0536 86.3478 98.3357 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 61.0535 86.3478 98.3013 185.3462 204.2074 206.4650 301.8725 301.9866 345.2940 353.2719 386.0774 428.2228 429.0015 458.6154 485.9851 542.3485 587.6266 622.4698 677.8294 703.0429 729.9926 736.3077 821.9458 822.9308 861.8191 863.5416 878.0682 901.4923 902.6425 924.8837 925.3123 936.5422 964.7113 992.9505 1081.4372 1084.0779 1089.1135 1092.8469 1104.8186 1131.7246 1133.1319 1161.3498 1161.4302 1188.8238 1198.2136 1240.3235 1245.4576 1246.3399 1246.8216 1260.5931 1279.9651 1295.8272 1326.0606 1331.2381 1336.4080 1342.9376 1344.0125 1347.4666 1356.1310 1377.6389 1412.9212 1451.1767 1452.3932 1456.0529 1456.9941 1470.7282 1471.3946 1475.2174 1475.6047 1507.5407 1579.9702 1622.9476 2951.8110 2952.1364 2952.3948 2952.8022 2975.4341 2975.6444 2975.6749 2975.7730 3013.0582 3013.3583 3015.2236 3015.7091 3035.6822 3036.1345 3044.2766 3044.4437 3086.7524 3090.6908 2.9876 2.5245 2.2411 2.2839 3.9279 2.8519 2.1056 1.6830 2.8166 2.7373 3.7474 3.3163 2.3333 3.3067 2.2131 4.0949 4.0790 2.1201 2.6036 2.8358 5.0915 3.8241 1.5122 1.5109 1.3691 2.4905 2.3365 1.6638 1.4093 2.0815 2.5420 1.4403 2.6981 2.0871 1.9070 1.8574 1.8670 1.5946 2.2195 1.1479 1.1669 1.5171 1.3538 1.3971 5.2954 1.3474 1.4095 1.3967 1.2834 2.3161 1.1894 1.3330 1.5644 1.5246 1.5354 1.3871 1.4195 1.6375 1.7743 3.8563 5.0437 1.1486 1.1116 1.0817 1.0818 1.0850 1.0915 1.0946 1.0932 2.8065 6.7919 7.2466 1.0641 1.0644 1.0643 1.0644 1.0655 1.0605 1.0606 1.0657 1.0937 1.0938 1.0949 1.0949 1.0987 1.0984 1.1042 1.1042 1.0899 1.0906 0.0066 0.0111 0.0128 0.0462 0.0965 0.0716 0.1130 0.0904 0.1979 0.2013 0.3291 0.3583 0.2530 0.4098 0.3080 0.7097 0.8299 0.4840 0.7048 0.8258 1.5986 1.2215 0.6019 0.6028 0.5991 1.0942 1.0614 0.7967 0.6765 1.0491 1.2824 0.7443 1.4794 1.2124 1.3140 1.2861 1.3048 1.1221 1.5962 0.8662 0.8827 1.2056 1.0760 1.1633 4.4794 1.2213 1.2881 1.2783 1.1755 2.1685 1.1480 1.3188 1.6208 1.5919 1.6157 1.4739 1.5107 1.7517 1.9225 4.3122 5.9324 1.4252 1.3815 1.3511 1.3531 1.3827 1.3923 1.4035 1.4024 3.7579 9.9894 11.2458 5.4630 5.4653 5.4659 5.4681 5.5578 5.5327 5.5330 5.5602 5.8499 5.8516 5.8649 5.8669 5.9656 5.9654 6.0293 6.0300 6.1183 6.1378 0.5621 0.0026 0.0000 6.0773 0.6085 0.0000 0.0026 0.6647 0.0000 0.0000 0.0000 0.0005 10.8614 0.7423 0.2503 0.0000 0.1816 0.0000 0.7532 0.0000 0.0000 1.3427 0.0000 14.6047 8.6085 0.0013 4.3578 0.0000 0.0000 0.0001 8.3480 23.5632 0.0000 8.4008 0.0000 1.2552 0.0000 0.5201 0.0000 0.0000 3.0286 0.4178 0.0001 0.0546 2.5085 0.0001 0.0000 2.7238 13.0492 0.0000 0.0000 7.6941 0.0000 0.0000 0.0000 0.0000 1.9892 0.7270 0.0000 9.3127 1.9276 0.2879 0.0000 0.0000 30.1635 0.0002 21.5887 19.6933 0.0005 44.3230 0.0000 0.0000 0.0975 7.3716 117.5811 0.8569 84.6829 0.1983 56.4937 0.6317 0.0530 141.7701 7.0566 0.0378 158.7535 0.0065 0.0057 146.5649 46.0118 0.0007 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.00 0.00 -0.10 0.00 0.00 -0.10 0.00 0.00 -0.10 0.00 0.00 -0.10 0.00 0.01 -0.03 0.00 0.01 -0.03 0.00 0.01 -0.03 0.00 0.01 -0.03 -0.05 -0.01 0.16 0.05 -0.01 0.16 0.05 -0.01 0.16 -0.05 -0.01 0.16 0.00 0.00 -0.11 0.00 0.00 -0.11 -0.06 -0.04 -0.11 0.12 0.09 -0.04 0.06 -0.04 -0.11 -0.12 0.09 -0.04 -0.12 0.09 -0.04 0.06 -0.04 -0.11 0.12 0.09 -0.04 -0.06 -0.04 -0.11 -0.22 -0.02 0.16 -0.02 -0.02 0.29 0.22 -0.02 0.16 0.02 -0.02 0.29 0.02 -0.02 0.29 0.22 -0.02 0.16 -0.02 -0.02 0.29 -0.22 -0.02 0.16 0.00 0.00 -0.09 0.00 0.00 -0.09 0.00 0.00 0.03 0.00 0.00 -0.03 0.00 0.00 -0.03 0.00 0.00 0.03 0.00 -0.01 0.16 0.00 0.01 -0.16 0.00 0.01 -0.16 0.00 -0.01 0.16 -0.01 0.04 0.08 -0.01 -0.04 -0.08 -0.01 -0.04 -0.08 -0.01 0.04 0.08 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.07 0.28 0.03 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