Gaussian 09 GINC-KIMIK2019 CBGUSER 000290256 EM64L-G09RevD.01 12-Apr-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 164.11979999999994 0 1 AuxInfo=1/0/N:10,11,12,13,9,8,6,7,4,5,3,2,1/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)/rA:33ONNCCCCCCCCCCHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s2s4;s1s3s5;s2s5;s3s4;s4;s4;s5;s5;s6;s7;s8;s8;s9;s9;s2;s3;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-13057.inp" -scrdir="/scratch/" chk=000290256.chk nprocshared=4 mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000290256 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 16 14 14 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 2 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 1 1 2 2 2 3 3 3 4 4 4 4 5 5 5 5 6 7 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 13 6 7 6 8 20 7 9 21 6 9 10 11 7 8 12 13 14 15 16 17 18 19 22 23 24 25 26 27 28 29 30 31 32 33 1.4359 1.4358 1.4849 1.493 1.0258 1.4849 1.493 1.0258 1.5691 1.5529 1.5344 1.5349 1.5691 1.5529 1.5344 1.5349 1.1183 1.1184 1.1141 1.1126 1.1141 1.1126 1.0931 1.0936 1.1034 1.097 1.0936 1.0961 1.0936 1.0931 1.1034 1.0961 1.0936 1.097 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 6 6 6 8 7 7 9 6 6 6 9 9 10 7 7 7 8 8 12 1 1 1 2 2 4 1 1 1 3 3 5 2 2 2 5 5 16 3 3 3 4 4 18 4 4 4 22 22 23 4 4 4 25 25 26 5 5 5 28 28 29 5 5 5 31 31 32 1 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 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 13 13 13 7 8 20 20 9 21 21 9 10 11 10 11 11 8 12 13 12 13 13 2 4 14 4 14 14 3 5 15 5 15 15 5 16 17 16 17 17 4 18 19 18 19 19 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 113.614 114.9428 110.7727 109.7002 114.9425 110.7715 109.699 109.5756 107.5979 110.4073 109.9053 109.4405 109.8923 109.5744 107.5977 110.409 109.9039 109.4415 109.8924 108.512 108.1184 102.1075 117.521 107.8468 111.5954 108.5126 108.1202 102.1084 117.5193 107.8448 111.5962 111.5326 112.4049 106.8154 109.6564 109.4182 106.8319 111.5352 112.404 106.8139 109.6559 109.4185 106.832 112.2981 111.9149 109.7177 107.8751 107.7308 107.0802 110.9416 112.7868 111.3173 107.0205 106.6204 107.8533 111.9151 112.2975 109.7175 107.8746 107.0808 107.7313 111.3178 112.7867 110.9415 107.8542 106.6202 107.0194 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 7 7 7 6 6 6 8 8 8 20 20 20 6 6 6 20 20 20 9 9 9 21 21 21 7 7 7 21 21 21 9 9 9 10 10 10 11 11 11 6 6 6 10 10 10 11 11 11 6 6 6 9 9 9 11 11 11 6 6 6 9 9 9 10 10 10 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 7 8 8 8 12 12 12 1 1 1 1 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 7 7 7 6 6 6 6 6 6 8 8 8 8 8 8 7 7 7 7 7 7 9 9 9 9 9 9 6 6 6 6 6 6 6 6 6 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 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 2 4 14 3 5 15 1 4 14 1 4 14 5 16 17 5 16 17 1 5 15 1 5 15 4 18 19 4 18 19 1 2 14 1 2 14 1 2 14 3 18 19 3 18 19 3 18 19 22 23 24 22 23 24 22 23 24 25 26 27 25 26 27 25 26 27 1 3 15 1 3 15 1 3 15 2 16 17 2 16 17 2 16 17 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 63.5096 -64.9723 177.2363 63.5122 -64.9693 177.2373 -53.8127 69.1609 -163.7003 -178.8451 -55.8715 71.2672 48.2259 -75.403 167.7383 173.8165 50.1876 -66.6711 -53.8091 69.1662 -163.6971 -178.8386 -55.8633 71.2734 48.2189 -75.4106 167.7321 173.8066 50.1771 -66.6802 54.5276 -68.6461 166.0503 -64.9368 171.8895 46.5859 175.1382 51.9645 -73.3391 -47.1981 77.9745 -165.1571 70.8385 -163.9889 -47.1205 -168.3941 -43.2215 73.6469 -61.8449 176.6503 57.9329 178.901 57.3962 -61.3213 58.4063 -63.0985 178.184 174.0592 -65.8936 55.4984 -65.2495 54.7978 176.1897 55.5258 175.5731 -63.035 54.529 -68.6458 166.0541 -64.933 171.8923 46.5921 175.1411 51.9663 -73.3338 -47.2023 77.9701 -165.1614 70.8325 -163.9952 -47.1267 -168.4003 -43.2279 73.6406 176.6451 -61.8511 57.9268 57.3933 178.8971 -61.3249 -63.1019 58.402 178.1799 55.4799 -65.9135 174.0408 176.1715 54.7781 -65.2677 -63.0542 175.5524 55.5066 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 198 198 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 33 33 33 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= 7021 NPrTT= 34786 LenC2= 6809 LenP2D= 23567. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 170 RedAO= T EigKep= 2.62D-03 NBF= 170 NBsUse= 170 1.00D-06 EigRej= -1.00D+00 NBFU= 170 Using GEDIIS/GDIIS optimizer. local minimum Step number 19 out of a maximum of 198 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00290 0.00304 0.00305 0.00311 0.00411 0.00491 0.00900 0.01246 0.02051 0.02373 0.02672 0.03564 0.04212 0.04459 0.04608 0.04790 0.04849 0.04914 0.05340 0.05349 0.05472 0.05478 0.05479 0.05495 0.05540 0.05549 0.05554 0.05562 0.05680 0.05845 0.06221 0.06930 0.07768 0.08102 0.08637 0.09002 0.09172 0.09631 0.09860 0.10226 0.11028 0.11908 0.13284 0.15128 0.15560 0.15783 0.15916 0.15999 0.16000 0.16000 0.16000 0.16000 0.16001 0.16006 0.16058 0.16247 0.16736 0.17445 0.23366 0.24469 0.25067 0.25542 0.26817 0.28693 0.28977 0.29017 0.29418 0.30329 0.31144 0.31732 0.31842 0.32172 0.32318 0.32322 0.32398 0.32747 0.33312 0.33334 0.33861 0.34020 0.34114 0.34121 0.34210 0.34396 0.34404 0.34426 0.34455 0.34536 0.35464 0.36449 0.37253 0.43428 0.44771 RFO step: Lambda=-2.18281452D-07. 1 2 3 0.00156086 0.00000111 0.00000000 0.00000065 0.00000028 0.00000028 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 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 2.85032 2.85064 2.76151 2.80968 1.93961 2.76146 2.80950 1.93955 2.96221 2.96009 2.93229 2.91894 2.96229 2.96030 2.93213 2.91895 2.08776 2.08779 2.08713 2.09101 2.08724 2.09101 2.09130 2.09120 2.08642 2.09284 2.08525 2.09124 2.09117 2.09127 2.08639 2.09120 2.08524 2.09280 1.88432 2.02472 1.93112 1.94735 2.02491 1.93133 1.94753 1.91974 1.88065 1.92483 1.90879 1.91278 1.91677 1.91950 1.88085 1.92481 1.90897 1.91263 1.91680 1.94804 1.89976 1.80717 2.01677 1.88327 1.89637 1.94829 1.89978 1.80711 2.01641 1.88325 1.89657 1.99753 1.91183 1.88070 1.91374 1.89994 1.85441 1.99723 1.91215 1.88079 1.91386 1.89992 1.85421 1.93589 1.92676 1.94050 1.87963 1.87720 1.90199 1.92890 1.93785 1.93606 1.90351 1.87964 1.87604 1.92662 1.93578 1.94052 1.87962 1.90213 1.87732 1.93601 1.93785 1.92886 1.87597 1.87977 1.90354 1.10208 -1.14449 3.12354 1.10145 -1.14486 3.12297 -0.89223 1.29069 -2.86661 1.34866 -2.75161 -0.62572 0.72127 -1.43587 2.83708 -1.51165 2.61440 0.60417 -0.89182 1.29104 -2.86625 1.34967 -2.75065 -0.62476 0.72123 -1.43610 2.83688 -1.51232 2.61354 0.60333 0.96586 -1.24176 2.92258 -1.11358 2.96199 0.84314 3.07758 0.86997 -1.24889 -0.74431 1.41211 -2.84939 1.31783 -2.80894 -0.78725 -2.86325 -0.70684 1.31485 -1.05644 -3.13850 1.03154 3.14034 1.05828 -1.05486 1.04068 -1.04138 3.12867 -3.10897 -0.99424 1.09066 -0.99310 1.12164 -3.07666 1.10414 -3.06431 -0.97941 0.96547 -1.24222 2.92223 -1.11416 2.96134 0.84260 3.07684 0.86916 -1.24958 -0.74396 1.41215 -2.84915 1.31838 -2.80868 -0.78680 -2.86264 -0.70652 1.31537 -3.13788 -1.05601 1.03207 1.05897 3.14085 -1.05426 -1.04064 1.04123 3.12931 1.08943 -0.99535 -3.11010 -3.07829 1.12012 -0.99463 -0.98090 -3.06568 1.10276 0.00013 0.00013 0.00001 0.00004 0.00005 0.00003 0.00005 0.00006 0.00002 -0.00001 -0.00003 0.00003 0.00003 -0.00001 -0.00004 0.00003 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 0.00002 0.00000 0.00000 0.00001 0.00002 0.00000 0.00001 -0.00005 0.00000 0.00003 -0.00003 0.00000 0.00003 -0.00003 -0.00001 0.00000 0.00001 0.00002 -0.00002 -0.00001 -0.00001 0.00000 0.00002 0.00003 -0.00002 -0.00001 0.00000 0.00000 -0.00002 0.00002 0.00000 -0.00001 -0.00001 0.00000 -0.00002 0.00002 0.00001 0.00000 0.00003 0.00000 -0.00004 -0.00001 0.00002 0.00000 0.00002 0.00000 -0.00003 -0.00001 0.00002 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00002 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00002 0.00000 0.00000 -0.00002 0.00000 -0.00001 0.00001 0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00002 -0.00001 0.00000 0.00000 0.00001 0.00002 -0.00001 -0.00001 0.00000 0.00004 0.00003 0.00002 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00004 0.00003 0.00001 0.00001 0.00000 -0.00001 0.00002 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00052 0.00053 -0.00023 0.00017 0.00002 -0.00025 0.00017 0.00001 -0.00018 -0.00019 -0.00012 -0.00004 -0.00021 -0.00020 -0.00011 -0.00005 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00002 -0.00002 0.00000 0.00001 -0.00001 0.00000 -0.00003 -0.00002 0.00000 0.00000 -0.00001 0.00001 -0.00025 0.00027 0.00032 -0.00012 0.00024 0.00026 -0.00017 -0.00034 0.00009 -0.00011 0.00032 0.00005 0.00000 -0.00034 0.00009 -0.00013 0.00033 0.00003 0.00002 0.00014 -0.00020 -0.00018 0.00000 0.00007 0.00016 0.00019 -0.00018 -0.00020 -0.00005 0.00008 0.00014 0.00006 0.00030 -0.00032 -0.00030 0.00026 0.00000 0.00007 0.00029 -0.00031 -0.00030 0.00026 0.00000 -0.00001 -0.00008 0.00005 0.00005 -0.00001 0.00000 0.00010 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-0.00060 -0.00075 0.00033 0.00029 0.00013 0.00005 0.00002 0.00019 0.00007 0.00005 0.00016 -0.00010 -0.00004 0.00011 0.00023 -0.00008 -0.00006 0.00013 -0.00002 -0.00001 -0.00004 0.00000 -0.00004 0.00001 0.00001 0.00004 -0.00002 0.00002 0.00002 0.00007 0.00005 0.00001 -0.00002 0.00007 0.00001 0.00002 -0.00028 0.00019 0.00006 -0.00013 0.00022 0.00011 -0.00016 -0.00008 0.00027 0.00005 0.00008 -0.00018 -0.00012 -0.00007 0.00025 0.00011 0.00002 -0.00014 -0.00017 0.00002 -0.00006 -0.00008 0.00019 0.00000 -0.00009 -0.00010 -0.00013 -0.00011 0.00031 0.00004 -0.00005 -0.00018 -0.00007 0.00000 0.00010 0.00016 -0.00001 -0.00019 -0.00006 0.00003 0.00008 0.00016 0.00000 0.00004 0.00004 0.00004 -0.00001 -0.00011 -0.00002 -0.00004 -0.00001 0.00004 0.00001 -0.00003 0.00004 0.00007 0.00003 0.00001 0.00000 -0.00003 -0.00009 0.00006 -0.00001 -0.00004 0.00001 -0.00004 0.00001 -0.00013 -0.00034 -0.00017 -0.00007 -0.00031 -0.00013 0.00013 0.00021 0.00022 0.00016 0.00024 0.00025 0.00005 0.00010 0.00014 -0.00007 -0.00002 0.00002 0.00000 -0.00001 0.00017 0.00007 0.00007 0.00024 0.00012 0.00021 0.00022 -0.00009 0.00000 0.00001 0.00061 0.00049 0.00044 0.00040 0.00028 0.00023 0.00035 0.00024 0.00018 -0.00033 -0.00049 -0.00036 0.00000 -0.00016 -0.00003 -0.00022 -0.00038 -0.00025 0.00029 0.00025 0.00021 0.00019 0.00014 0.00011 0.00044 0.00040 0.00036 0.00098 0.00096 0.00102 0.00079 0.00076 0.00083 0.00069 0.00067 0.00074 0.00069 0.00070 0.00047 0.00055 0.00056 0.00033 0.00055 0.00055 0.00032 -0.00041 -0.00055 -0.00040 -0.00013 -0.00027 -0.00013 -0.00041 -0.00055 -0.00041 0.00001 0.00007 -0.00001 -0.00007 0.00000 -0.00009 0.00019 0.00025 0.00017 0.00087 0.00083 0.00084 0.00077 0.00072 0.00074 0.00061 0.00056 0.00058 0.00085 0.00083 -0.00010 0.00022 0.00004 -0.00006 0.00024 0.00006 -0.00002 -0.00029 -0.00016 0.00007 0.00002 -0.00028 -0.00018 0.00008 -0.00001 -0.00001 -0.00005 0.00001 -0.00005 0.00001 -0.00001 0.00002 -0.00002 0.00002 0.00001 0.00008 0.00002 -0.00001 -0.00002 0.00008 0.00000 0.00003 -0.00052 0.00046 0.00038 -0.00026 0.00046 0.00038 -0.00033 -0.00043 0.00036 -0.00006 0.00040 -0.00014 -0.00012 -0.00041 0.00034 -0.00002 0.00035 -0.00010 -0.00015 0.00015 -0.00026 -0.00026 0.00019 0.00007 0.00007 0.00008 -0.00031 -0.00031 0.00027 0.00012 0.00009 -0.00013 0.00023 -0.00032 -0.00020 0.00043 0.00000 -0.00012 0.00023 -0.00028 -0.00023 0.00041 0.00000 0.00003 -0.00003 0.00009 0.00005 -0.00012 -0.00001 0.00006 0.00011 -0.00012 0.00001 -0.00010 0.00004 -0.00002 0.00001 0.00006 0.00005 -0.00001 -0.00009 -0.00009 0.00012 0.00006 0.00000 -0.00010 0.00001 -0.00073 -0.00089 -0.00073 -0.00070 -0.00087 -0.00069 0.00107 0.00099 0.00126 0.00145 0.00138 0.00165 -0.00026 -0.00009 -0.00003 -0.00097 -0.00079 -0.00074 0.00099 0.00085 0.00124 0.00127 0.00114 0.00153 -0.00020 0.00001 0.00004 -0.00084 -0.00063 -0.00060 0.00182 0.00169 0.00142 0.00137 0.00123 0.00096 0.00133 0.00120 0.00093 -0.00102 -0.00099 -0.00089 -0.00060 -0.00057 -0.00046 -0.00059 -0.00056 -0.00045 0.00074 0.00069 0.00067 0.00082 0.00077 0.00075 0.00082 0.00076 0.00074 0.00046 0.00058 0.00062 -0.00020 -0.00008 -0.00004 0.00013 0.00025 0.00029 0.00187 0.00180 0.00139 0.00147 0.00141 0.00100 0.00146 0.00140 0.00099 -0.00105 -0.00099 -0.00087 -0.00066 -0.00061 -0.00049 -0.00070 -0.00064 -0.00052 0.00048 0.00053 0.00047 0.00057 0.00063 0.00056 0.00057 0.00063 0.00056 0.00029 0.00027 0.00014 -0.00030 -0.00032 -0.00045 -0.00003 -0.00004 -0.00017 2.85117 2.85146 2.76140 2.80990 1.93965 2.76140 2.80974 1.93961 2.96219 2.95980 2.93213 2.91900 2.96232 2.96003 2.93195 2.91903 2.08775 2.08778 2.08708 2.09101 2.08719 2.09102 2.09129 2.09122 2.08641 2.09286 2.08526 2.09132 2.09119 2.09125 2.08637 2.09128 2.08525 2.09283 1.88380 2.02518 1.93150 1.94709 2.02537 1.93171 1.94720 1.91931 1.88101 1.92477 1.90919 1.91264 1.91664 1.91909 1.88119 1.92479 1.90932 1.91253 1.91665 1.94820 1.89950 1.80691 2.01696 1.88334 1.89644 1.94838 1.89947 1.80680 2.01668 1.88337 1.89666 1.99740 1.91206 1.88038 1.91354 1.90037 1.85441 1.99710 1.91238 1.88051 1.91363 1.90033 1.85421 1.93592 1.92673 1.94059 1.87968 1.87708 1.90198 1.92896 1.93796 1.93594 1.90352 1.87954 1.87608 1.92660 1.93579 1.94058 1.87967 1.90212 1.87723 1.93591 1.93797 1.92892 1.87598 1.87967 1.90355 1.10135 -1.14539 3.12281 1.10075 -1.14573 3.12229 -0.89116 1.29168 -2.86534 1.35011 -2.75023 -0.62407 0.72101 -1.43596 2.83705 -1.51261 2.61360 0.60343 -0.89084 1.29189 -2.86501 1.35094 -2.74951 -0.62323 0.72103 -1.43609 2.83692 -1.51316 2.61291 0.60274 0.96768 -1.24007 2.92399 -1.11221 2.96323 0.84410 3.07891 0.87116 -1.24796 -0.74534 1.41111 -2.85028 1.31723 -2.80951 -0.78771 -2.86384 -0.70739 1.31440 -1.05570 -3.13781 1.03221 3.14116 1.05905 -1.05411 1.04149 -1.04062 3.12941 -3.10851 -0.99366 1.09128 -0.99330 1.12155 -3.07670 1.10427 -3.06406 -0.97912 0.96734 -1.24041 2.92362 -1.11269 2.96275 0.84359 3.07831 0.87056 -1.24859 -0.74501 1.41116 -2.85002 1.31772 -2.80929 -0.78728 -2.86334 -0.70716 1.31485 -3.13741 -1.05547 1.03253 1.05954 3.14148 -1.05371 -1.04007 1.04186 3.12987 1.08971 -0.99508 -3.10996 -3.07859 1.11980 -0.99507 -0.98093 -3.06572 1.10259 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000134 0.000020 0.005678 0.001561 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -4.514681e-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 2 2 2 3 3 3 4 4 4 4 5 5 5 5 6 7 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 13 6 7 6 8 20 7 9 21 6 9 10 11 7 8 12 13 14 15 16 17 18 19 22 23 24 25 26 27 28 29 30 31 32 33 1.5083 1.5085 1.4613 1.4868 1.0264 1.4613 1.4867 1.0264 1.5675 1.5664 1.5517 1.5446 1.5676 1.5665 1.5516 1.5446 1.1048 1.1048 1.1045 1.1065 1.1045 1.1065 1.1067 1.1066 1.1041 1.1075 1.1035 1.1066 1.1066 1.1067 1.1041 1.1066 1.1035 1.1075 -DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 6 6 6 8 7 7 9 6 6 6 9 9 10 7 7 7 8 8 12 1 1 1 2 2 4 1 1 1 3 3 5 2 2 2 5 5 16 3 3 3 4 4 18 4 4 4 22 22 23 4 4 4 25 25 26 5 5 5 28 28 29 5 5 5 31 31 32 1 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 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 13 13 13 7 8 20 20 9 21 21 9 10 11 10 11 11 8 12 13 12 13 13 2 4 14 4 14 14 3 5 15 5 15 15 5 16 17 16 17 17 4 18 19 18 19 19 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 107.9639 116.0077 110.6452 111.5749 116.0187 110.6571 111.585 109.9927 107.7533 110.2848 109.3658 109.5941 109.8227 109.9791 107.7649 110.2835 109.3757 109.5859 109.8247 111.6147 108.8485 103.5433 115.5522 107.9033 108.6541 111.6289 108.8491 103.54 115.532 107.9023 108.6655 114.4501 109.5397 107.756 109.6491 108.8587 106.2501 114.4326 109.5582 107.7613 109.656 108.8573 106.2382 110.9186 110.3953 111.1823 107.6951 107.5558 108.9762 110.5181 111.0308 110.9279 109.0633 107.6952 107.4892 110.3873 110.9122 111.1835 107.6941 108.9843 107.5625 110.9252 111.0308 110.5156 107.4853 107.7028 109.065 -DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 7 7 7 6 6 6 8 8 8 20 20 20 6 6 6 20 20 20 9 9 9 21 21 21 7 7 7 21 21 21 9 9 9 10 10 10 11 11 11 6 6 6 10 10 10 11 11 11 6 6 6 9 9 9 11 11 11 6 6 6 9 9 9 10 10 10 8 8 8 12 12 12 13 13 13 7 7 7 12 12 12 13 13 13 7 7 7 8 8 8 13 13 13 7 7 7 8 8 8 12 12 1 1 1 1 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 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 7 7 7 6 6 6 6 6 6 8 8 8 8 8 8 7 7 7 7 7 7 9 9 9 9 9 9 6 6 6 6 6 6 6 6 6 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 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 2 4 14 3 5 15 1 4 14 1 4 14 5 16 17 5 16 17 1 5 15 1 5 15 4 18 19 4 18 19 1 2 14 1 2 14 1 2 14 3 18 19 3 18 19 3 18 19 22 23 24 22 23 24 22 23 24 25 26 27 25 26 27 25 26 27 1 3 15 1 3 15 1 3 15 2 16 17 2 16 17 2 16 17 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 63.1447 -65.5746 178.9658 63.1086 -65.5956 178.9332 -51.1211 73.9511 -164.2445 77.2724 -157.6555 -35.851 41.3258 -82.2694 162.5529 -86.611 149.7939 34.6162 -51.0977 73.9711 -164.2241 77.3304 -157.6007 -35.796 41.3233 -82.2827 162.5412 -86.6493 149.7447 34.5685 55.3396 -71.1474 167.4513 -63.8034 169.7096 48.3083 176.3324 49.8454 -71.556 -42.6459 80.9077 -163.2581 75.5061 -160.9404 -45.1062 -164.0523 -40.4988 75.3354 -60.5298 -179.823 59.1031 179.9283 60.6351 -60.4388 59.6265 -59.6667 179.2594 -178.1311 -56.9655 62.49 -56.9006 64.265 -176.2795 63.2626 -175.5718 -56.1162 55.3173 -71.1738 167.4313 -63.8368 169.6721 48.2772 176.2902 49.799 -71.5959 -42.6261 80.9104 -163.2441 75.5379 -160.9257 -45.0802 -164.017 -40.4806 75.3649 -179.7874 -60.5047 59.1332 60.6747 179.9574 -60.4048 -59.6244 59.6583 179.2961 62.4196 -57.0293 -178.1954 -176.3729 64.1782 -56.988 -56.2014 -175.6503 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 164.11979999999994 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2.542113 2.533622 0.000000 2.958672 3.202656 3.858642 4.820779 1.551615 3.660343 2.519730 2.544464 4.652709 5.771464 5.838418 0.000000 3.869824 3.876242 2.973268 4.705016 1.544641 4.302133 2.553823 2.542084 3.766006 5.837247 5.603981 2.533588 0.000000 2.067869 2.085342 3.887708 2.187597 3.891383 1.104794 3.358250 3.407581 3.507818 2.636916 2.875614 4.320228 5.330290 0.000000 2.067979 3.887804 2.085322 3.890880 2.187796 3.358188 1.104810 3.507877 3.407541 4.318737 5.330164 2.637104 2.876153 4.121765 0.000000 3.542040 2.128124 3.078088 3.143755 2.199410 2.945415 2.981015 1.104460 2.702692 4.648300 3.429745 3.481072 2.632012 3.930011 3.984790 0.000000 3.813705 2.106760 4.231209 4.267404 2.190651 3.398894 3.503108 1.106512 4.195021 5.688785 4.593240 2.650083 2.899569 4.143432 4.311575 1.768661 0.000000 3.542512 3.078519 2.128321 2.199440 3.144120 2.981221 2.945873 2.703035 1.104518 3.481098 2.632330 4.648753 3.429182 3.984815 3.930464 1.950910 3.656436 0.000000 3.814058 4.231446 2.106750 2.190533 4.267346 3.503164 3.398931 4.195050 1.106516 2.649980 2.899333 5.688922 4.592264 4.311442 4.143334 3.656181 5.249513 1.768572 0.000000 2.820320 1.026398 4.379913 3.417885 3.016125 2.060737 3.489317 2.094384 4.163226 4.533431 3.779023 3.146434 4.407772 2.251385 4.314964 2.949703 2.283289 4.098499 5.214215 0.000000 2.821260 4.380257 1.026364 3.016090 3.417627 3.489764 2.060832 4.163108 2.094394 3.145860 4.407721 4.533389 3.777974 4.315469 2.251275 4.098071 5.214065 2.949770 2.283229 5.161369 0.000000 3.367635 4.086135 4.184677 2.204254 5.459557 2.767398 4.391977 5.152593 3.519952 1.106670 2.786590 6.225629 6.633766 2.420648 5.031676 5.269761 6.099482 4.349118 3.699204 4.572121 4.162860 0.000000 3.957012 4.722470 3.625687 2.197546 5.582043 3.497902 4.414541 5.389593 2.791440 1.106616 2.778901 6.675077 6.408907 3.680433 5.051976 5.186689 6.444137 3.688928 2.441552 5.483239 3.442021 1.787119 0.000000 2.587019 4.181994 2.911837 2.205648 4.641839 2.758325 3.254774 4.830335 2.800676 1.104088 3.505133 5.465049 5.643404 2.927639 3.662656 4.959377 5.885778 3.861378 2.944139 4.785965 2.595531 1.783491 1.799502 0.000000 4.685768 4.007542 4.216911 2.193534 5.453160 3.523914 4.949229 4.604283 2.761180 2.809103 1.107482 6.711968 6.154370 3.874485 5.935566 4.071619 5.454342 2.843604 2.687807 4.861373 4.622474 3.177910 2.598094 3.822932 0.000000 4.155753 2.621401 4.108249 2.197016 4.431427 2.782479 4.407177 3.225731 2.828328 3.503568 1.103466 5.569435 5.233040 3.248712 5.499658 2.770795 3.884480 2.484146 3.367388 3.430586 4.834924 3.784589 3.813613 4.366644 1.800677 0.000000 4.223529 3.295505 4.733539 2.198108 5.390197 2.827249 4.967908 4.397573 3.516767 2.756559 1.106637 6.328059 6.455097 2.710181 5.952380 4.250356 5.123727 3.701855 3.866701 3.863914 5.192904 2.549195 3.086909 3.779526 1.787792 1.782204 0.000000 3.957768 3.627022 4.722050 5.582725 2.197356 4.415832 3.497945 2.791832 5.389649 6.675326 6.410450 1.106602 2.778393 5.053904 3.680499 3.688967 2.442034 5.186933 6.444063 3.443443 5.482858 7.102491 7.562365 6.466940 7.299922 5.969018 6.894923 0.000000 3.368115 4.185324 4.085647 5.459601 2.204082 4.392646 2.767262 3.520044 5.152415 6.224976 6.634437 1.106651 2.786709 5.032835 2.420573 4.348999 3.699415 5.269921 6.099182 4.163166 4.571614 6.733830 7.101423 5.736830 7.446852 6.467476 7.154500 1.787081 0.000000 2.588088 2.912694 4.182376 4.642925 2.205575 3.256237 2.758770 2.800597 4.831096 5.465808 5.644927 1.104072 3.505100 3.664697 2.928020 3.861233 2.943643 4.960202 5.886548 2.595821 4.786730 5.738230 6.467537 5.172928 6.608948 5.466460 5.952741 1.799569 1.783539 0.000000 4.223449 4.733701 3.293507 5.388703 2.198062 4.967539 2.826622 3.516785 4.395638 6.325791 6.454307 2.757176 1.106615 5.952353 2.710166 3.701303 3.867366 4.248885 5.121422 5.193150 3.861407 7.152906 6.891937 5.950084 6.974732 6.196909 7.294364 3.087306 2.550032 3.780109 0.000000 4.155991 4.107589 2.621162 4.430260 2.197021 4.406582 2.782996 2.827516 3.224593 5.568144 5.232156 3.503561 1.103463 5.499143 3.250081 2.482822 3.366658 2.769500 3.883363 4.834231 3.430196 6.466485 5.967358 5.465284 5.605655 4.885623 6.196612 3.812894 3.785007 4.366643 1.782140 0.000000 4.685915 4.217588 4.007124 5.453209 2.193492 4.949596 3.523922 2.761754 4.604137 6.711469 6.155418 2.808383 1.107462 5.936116 3.874647 2.844302 2.688626 4.071911 5.454099 4.623001 4.860566 7.446864 7.299236 6.607840 6.740822 5.607615 6.976737 2.596776 3.177192 3.822211 1.787844 1.800678 0.000000 1.3865281 0.6590300 0.6181445 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= 168 168 168 168 168 MxSgAt= 33 MxSgA2= 33. 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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 33 33 33 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= 7021 NPrTT= 34786 LenC2= 6806 LenP2D= 23542. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 170 RedAO= T EigKep= 2.47D-03 NBF= 170 NBsUse= 170 1.00D-06 EigRej= -1.00D+00 NBFU= 170 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= 168 168 168 168 169 MxSgAt= 33 MxSgA2= 33. 1 Closed 1 0 1 -576.668689292549 -576.761472822002 -0.092783529453 -576.975531483471 -0.214058661469 -576.976335921823 -0.000804438352 -576.980323860141 -0.003987938319 -576.980422715208 -0.000098855066 -576.980430658743 -0.000007943535 -576.980214151720 0.000216507022 -576.980215345372 -0.000001193651 -576.980215215532 0.000000129839 -576.980215485464 -0.000000269931 -576.980215488118 -0.000000002655 -576.980215488405 -0.000000000286 -576.980215488418 -0.000000000013 -576.980215488413 0.000000000005 -576.980215488 15 5.743969930195e+02 -3.241438120586e+03 1.141030050821e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=108247756. IVT= 107356 IEndB= 107356 NGot= 939524096 MDV= 833776361 LenX= 833776361 LenY= 833747020 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= 14535 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 1.76122571e-04 6.19940272e-03 1.25364447e+00 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 8 7 7 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.000042844 -0.000097184 -0.024658266 -0.000473670 -0.004090287 0.004093771 0.000428888 0.004162140 0.004050494 -0.002069983 0.002866599 0.001228666 0.002063582 -0.002823899 0.001231102 -0.002775031 0.009621651 -0.000316554 0.002835036 -0.009626096 -0.000156532 -0.000250957 0.006587728 0.000170639 0.000319317 -0.006617714 0.000187824 0.005421640 -0.008615538 -0.007615037 -0.002451894 -0.000931339 -0.000262483 -0.005428078 0.008548780 -0.007705714 0.002437899 0.000930122 -0.000271445 -0.002536653 -0.002107176 0.010802831 0.002549326 0.002216389 0.010785716 0.003216757 0.000587661 0.000386954 -0.000315732 -0.003606996 -0.001266102 -0.003223522 -0.000585524 0.000328108 0.000311365 0.003595040 -0.001291589 -0.001294575 0.006292530 -0.001534793 0.001257194 -0.006339498 -0.001494173 -0.003893232 0.007288894 -0.003483200 -0.005608814 -0.003530221 0.005699631 0.000018899 0.000166668 0.000018956 -0.003859048 -0.004199957 0.002566588 0.005363636 0.002978598 0.006212096 -0.002607303 0.005289080 -0.004406819 0.005608910 0.003571447 0.005666072 0.003888976 -0.007326550 -0.003406818 -0.000025156 -0.000172734 0.000029946 0.002615055 -0.005340397 -0.004347084 -0.005341002 -0.002913419 0.006240639 0.003861011 0.004221202 0.002516576 0.024658266 0.004898755 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -577.000891543921 -577.000911938507 -0.000020394585 -577.000910554247 0.000001384259 -577.000912300014 -0.000001745767 -577.000912330582 -0.000000030567 -577.000912333088 -0.000000002506 -577.000912333121 -0.000000000033 -577.000912333123 -0.000000000001 -577.000912333 8 5.740151013647e+02 -3.227003063419e+03 1.134236966684e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=108247756. IVT= 107356 IEndB= 107356 NGot= 939524096 MDV= 833776361 LenX= 833776361 LenY= 833747020 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= 14535 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. 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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 H 1S 2S 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 33 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 N 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 H 1S|2S|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|33 H 1S|2S 1.13248 0.85925 0.94959 0.91645 1.14564 1.14278 1.09587 0.34142 0.29659 0.35341 1.15930 0.83101 0.82943 0.74765 1.02001 0.97709 1.06378 0.21456 0.18763 0.22598 1.15930 0.83101 0.82940 0.74753 1.02034 0.97566 1.06503 0.21490 0.18564 0.22766 1.17439 0.81402 0.72798 0.45708 0.84853 0.85753 0.85881 -0.02066 -0.03322 -0.03866 1.17439 0.81402 0.72798 0.45708 0.84852 0.85740 0.85892 -0.02064 -0.03262 -0.03929 1.17454 0.81391 0.74315 0.59425 0.82988 0.82769 0.84469 0.08909 0.15578 0.16798 1.17454 0.81391 0.74313 0.59433 0.82979 0.82973 0.84265 0.08919 0.15745 0.16635 1.17434 0.81412 0.72810 0.66408 0.84982 0.89465 0.88105 0.16377 0.20754 0.15845 1.17434 0.81412 0.72810 0.66407 0.84987 0.89455 0.88115 0.16382 0.20797 0.15799 1.17426 0.81424 0.72352 0.70819 0.89445 0.90812 0.89967 0.19380 0.22972 0.18204 1.17425 0.81426 0.72355 0.71834 0.90655 0.90235 0.89697 0.21329 0.18063 0.20396 1.17426 0.81424 0.72353 0.70816 0.89444 0.90833 0.89952 0.19375 0.23010 0.18163 1.17425 0.81426 0.72357 0.71826 0.90657 0.90259 0.89671 0.21325 0.18099 0.20356 0.52081 0.24142 0.52080 0.24142 0.51966 0.26150 0.51613 0.25785 0.51964 0.26153 0.51613 0.25783 0.50703 0.22313 0.50703 0.22311 0.51112 0.27883 0.51112 0.28496 0.50889 0.25381 0.51033 0.28946 0.50877 0.24448 0.51025 0.28237 0.51113 0.28495 0.51113 0.27884 0.50890 0.25388 0.51026 0.28234 0.50878 0.24453 0.51034 0.28949 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 O N N C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.233479 -0.256448 -0.256462 0.354201 0.354243 -0.240956 -0.241071 -0.535922 -0.535966 -0.728008 -0.734159 -0.727969 -0.734006 0.237768 0.237772 0.218832 0.226018 0.218829 0.226042 0.269839 0.269860 0.210047 0.203922 0.237301 0.200209 0.246750 0.207379 0.203925 0.210031 0.237225 0.207395 0.246686 0.200170 0.00000 6.28518122e-06 -1.60078804e-04 1.64935533e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.0000 -0.0004 0.4192 0.4192 -78.5990 -78.1975 -85.4396 3.0541 -0.0162 -0.0354 2.1464 2.5478 -4.6942 3.0541 -0.0162 -0.0354 -0.0389 -0.3340 -15.9064 0.0819 -0.0288 -9.4933 -0.1085 0.1428 -23.6335 10.2929 -1887.3063 -624.3696 -559.5394 -4.5548 0.1870 22.1215 0.1250 0.1399 0.1841 -409.0873 -403.5464 -198.5324 0.0336 -0.0873 -1.5203 0 -577.0009123 5.844E-9 4.717E-5 1.5957859,1.8942572,-3.4900431,2.2706248,-0.0120608,-0.0262868 C01[X(C10H20N2O1)] 0.0000063 -0.0001601 0.1649355 @ 0.000002686 -0.000007019 -0.000241619 -0.000037309 0.000004605 -0.000025211 0.000032057 -0.000001448 -0.000026768 -0.000022953 -0.000077178 -0.000099457 0.000022944 0.000082694 -0.000104593 -0.000057748 0.000077719 0.000164495 0.000064872 -0.000079343 0.000156314 0.000059091 -0.000086137 0.000043256 -0.000061545 0.000084691 0.000045107 0.000004034 0.000054311 0.000044162 0.000015235 -0.000008944 0.000035133 -0.000005723 -0.000053541 0.000044484 -0.000009755 0.000008114 0.000030730 0.000014528 -0.000007327 -0.000005108 -0.000016905 0.000011963 -0.000012834 0.000004948 -0.000002111 -0.000002787 -0.000026545 0.000015295 0.000000760 -0.000002651 0.000003455 -0.000001100 0.000024984 -0.000014513 0.000002424 0.000044116 0.000044914 -0.000002645 -0.000051634 -0.000049610 -0.000005516 0.000005502 -0.000003382 -0.000008430 -0.000000249 0.000000930 -0.000000077 -0.000008925 -0.000002666 -0.000008405 -0.000006849 0.000003981 0.000006810 -0.000000877 0.000010190 0.000008930 -0.000011510 0.000009336 -0.000008702 -0.000000221 0.000001579 -0.000004633 -0.000007274 0.000003113 -0.000010441 0.000004949 0.000004022 -0.000008668 0.000011434 -0.000012275 -0.000011610 0.000006366 -0.000011021 0.000003160 0.000010923 -0.000004398 0.000002840 164.11979999999994 AuxInfo=1/0/N:10,11,12,13,9,8,6,7,4,5,3,2,1/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)/rA:33ONNCCCCCCCCCCHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s2s4;s1s3s5;s2s5;s3s4;s4;s4;s5;s5;s6;s7;s8;s8;s9;s9;s2;s3;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2019 CBGUSER 000290256 EM64L-G09RevD.01 12-Apr-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 93 C1[X(C10H20N2O)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 164.11979999999994 0 1 AuxInfo=1/0/N:10,11,12,13,9,8,6,7,4,5,3,2,1/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)/rA:33ONNCCCCCCCCCCHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s2s4;s1s3s5;s2s5;s3s4;s4;s4;s5;s5;s6;s7;s8;s8;s9;s9;s2;s3;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-14012.inp" -scrdir="/scratch/" chk=000290256-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 000290256 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 16 14 14 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 2 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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| 0.000231 0.000052 0.002131 0.000876 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -4.886527e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 941.7500837788 170 392 170 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 33 33 33 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 0 164.11979999999994 AuxInfo=1/0/N:10,11,12,13,9,8,6,7,4,5,3,2,1/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)/rA:33ONNCCCCCCCCCCHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s2s4;s1s3s5;s2s5;s3s4;s4;s4;s5;s5;s6;s7;s8;s8;s9;s9;s2;s3;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.456495 0.000000 2.456825 3.546319 0.000000 2.501977 2.562951 2.567195 0.000000 2.502160 2.567624 2.562687 3.706934 0.000000 1.508324 1.461325 2.907323 1.567534 2.941360 0.000000 1.508493 2.907398 1.461303 2.941028 1.567579 2.440096 0.000000 2.919359 1.486818 3.181318 3.243692 1.566526 2.500309 2.566981 0.000000 2.919678 3.181555 1.486723 1.566410 3.243670 2.567063 2.500360 3.119354 0.000000 2.957980 3.858793 3.201749 1.551702 4.820262 2.519579 3.659317 4.652498 2.544284 0.000000 3.869665 2.974055 3.876092 1.544635 4.705703 2.553801 4.302210 3.766870 2.542113 2.533622 0.000000 2.958672 3.202656 3.858642 4.820778 1.551614 3.660343 2.519730 2.544463 4.652709 5.771464 5.838417 0.000000 3.869825 3.876242 2.973268 4.705016 1.544640 4.302133 2.553824 2.542084 3.766007 5.837247 5.603980 2.533588 0.000000 2.067869 2.085342 3.887708 2.187598 3.891384 1.104795 3.358250 3.407582 3.507819 2.636916 2.875614 4.320228 5.330290 0.000000 2.067980 3.887803 2.085322 3.890879 2.187796 3.358187 1.104810 3.507877 3.407540 4.318737 5.330163 2.637104 2.876153 4.121765 0.000000 3.542040 2.128124 3.078087 3.143755 2.199410 2.945415 2.981015 1.104460 2.702692 4.648300 3.429745 3.481072 2.632011 3.930012 3.984789 0.000000 3.813705 2.106760 4.231209 4.267404 2.190651 3.398893 3.503108 1.106512 4.195022 5.688785 4.593240 2.650083 2.899569 4.143433 4.311575 1.768662 0.000000 3.542512 3.078519 2.128321 2.199439 3.144121 2.981221 2.945873 2.703036 1.104518 3.481098 2.632330 4.648753 3.429182 3.984816 3.930464 1.950910 3.656437 0.000000 3.814058 4.231446 2.106750 2.190532 4.267346 3.503164 3.398931 4.195050 1.106516 2.649980 2.899333 5.688922 4.592264 4.311443 4.143333 3.656181 5.249513 1.768572 0.000000 2.820320 1.026398 4.379912 3.417885 3.016125 2.060736 3.489317 2.094383 4.163226 4.533431 3.779022 3.146434 4.407771 2.251386 4.314964 2.949702 2.283288 4.098499 5.214215 0.000000 2.821261 4.380257 1.026364 3.016090 3.417627 3.489764 2.060832 4.163108 2.094393 3.145860 4.407721 4.533389 3.777974 4.315470 2.251275 4.098071 5.214065 2.949769 2.283228 5.161368 0.000000 3.367635 4.086135 4.184678 2.204254 5.459558 2.767399 4.391977 5.152594 3.519952 1.106670 2.786591 6.225630 6.633766 2.420648 5.031676 5.269761 6.099482 4.349119 3.699204 4.572121 4.162861 0.000000 3.957012 4.722469 3.625687 2.197546 5.582044 3.497903 4.414540 5.389594 2.791441 1.106616 2.778902 6.675077 6.408907 3.680434 5.051975 5.186689 6.444137 3.688929 2.441552 5.483239 3.442021 1.787119 0.000000 2.587019 4.181994 2.911837 2.205648 4.641839 2.758326 3.254773 4.830335 2.800676 1.104088 3.505133 5.465049 5.643404 2.927639 3.662656 4.959377 5.885778 3.861378 2.944138 4.785965 2.595531 1.783492 1.799502 0.000000 4.685768 4.007542 4.216911 2.193534 5.453161 3.523915 4.949229 4.604283 2.761180 2.809103 1.107483 6.711968 6.154370 3.874486 5.935566 4.071619 5.454342 2.843605 2.687807 4.861373 4.622474 3.177910 2.598094 3.822932 0.000000 4.155752 2.621401 4.108248 2.197016 4.431427 2.782479 4.407177 3.225731 2.828328 3.503567 1.103465 5.569435 5.233040 3.248712 5.499657 2.770795 3.884480 2.484146 3.367388 3.430585 4.834924 3.784589 3.813613 4.366643 1.800678 0.000000 4.223529 3.295504 4.733539 2.198108 5.390197 2.827250 4.967908 4.397573 3.516767 2.756559 1.106637 6.328058 6.455097 2.710181 5.952379 4.250356 5.123726 3.701855 3.866701 3.863914 5.192905 2.549195 3.086910 3.779526 1.787792 1.782203 0.000000 3.957768 3.627022 4.722049 5.582724 2.197355 4.415830 3.497945 2.791832 5.389649 6.675326 6.410449 1.106602 2.778393 5.053903 3.680498 3.688966 2.442034 5.186932 6.444063 3.443442 5.482858 7.102491 7.562365 6.466939 7.299922 5.969018 6.894922 0.000000 3.368116 4.185324 4.085648 5.459601 2.204081 4.392646 2.767263 3.520044 5.152416 6.224976 6.634437 1.106651 2.786709 5.032836 2.420574 4.348999 3.699414 5.269921 6.099182 4.163166 4.571615 6.733831 7.101423 5.736831 7.446853 6.467476 7.154500 1.787080 0.000000 2.588089 2.912695 4.182376 4.642925 2.205575 3.256236 2.758770 2.800597 4.831096 5.465808 5.644927 1.104072 3.505100 3.664697 2.928021 3.861233 2.943642 4.960203 5.886548 2.595821 4.786731 5.738231 6.467537 5.172928 6.608949 5.466460 5.952741 1.799568 1.783539 0.000000 4.223450 4.733701 3.293507 5.388703 2.198062 4.967539 2.826623 3.516785 4.395638 6.325791 6.454307 2.757176 1.106616 5.952354 2.710166 3.701303 3.867366 4.248885 5.121423 5.193150 3.861407 7.152907 6.891937 5.950084 6.974733 6.196909 7.294364 3.087307 2.550032 3.780109 0.000000 4.155992 4.107588 2.621162 4.430260 2.197021 4.406582 2.782996 2.827516 3.224592 5.568144 5.232156 3.503560 1.103463 5.499144 3.250080 2.482822 3.366659 2.769499 3.883363 4.834230 3.430196 6.466485 5.967358 5.465284 5.605656 4.885623 6.196611 3.812894 3.785006 4.366643 1.782140 0.000000 4.685915 4.217589 4.007124 5.453208 2.193492 4.949596 3.523923 2.761754 4.604137 6.711469 6.155417 2.808383 1.107461 5.936117 3.874646 2.844302 2.688627 4.071911 5.454099 4.623001 4.860565 7.446865 7.299236 6.607840 6.740823 5.607615 6.976737 2.596776 3.177192 3.822211 1.787844 1.800678 0.000000 C10H20N2O 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 0 164.11979999999994 AuxInfo=1/0/N:10,11,12,13,9,8,6,7,4,5,3,2,1/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)/rA:33ONNCCCCCCCCCCHHHHHHHHHHHHHHHHHHHH/rB:;;;;s1s2s4;s1s3s5;s2s5;s3s4;s4;s4;s5;s5;s6;s7;s8;s8;s9;s9;s2;s3;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1.3865280 0.6590300 0.6181445 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= 7021 NPrTT= 34786 LenC2= 6806 LenP2D= 23542. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 170 RedAO= T EigKep= 2.47D-03 NBF= 170 NBsUse= 170 1.00D-06 EigRej= -1.00D+00 NBFU= 170 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= 167 167 167 169 169 MxSgAt= 33 MxSgA2= 33. 1 Closed 1 0 1 -576.701237251313 -576.793144883945 -0.091907632632 -576.997885591048 -0.204740707103 -576.997163489724 0.000722101324 -577.001075220217 -0.003911730493 -577.001385009684 -0.000309789468 -577.001398127338 -0.000013117653 -577.000914421048 0.000483706290 -577.000916229179 -0.000001808131 -577.000916166316 0.000000062863 -577.000916298498 -0.000000132182 -577.000916303840 -0.000000005342 -577.000916305317 -0.000000001477 -577.000916305322 -0.000000000005 -577.000916305324 -0.000000000002 -577.000916305 15 5.740150819509e+02 -3.227003046476e+03 1.134236964441e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=108248044. IVT= 107644 IEndB= 107644 NGot= 939524096 MDV= 833776073 LenX= 833776073 LenY= 833746732 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= 14535 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= 33. Will process 34 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111 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= 939523592 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=108149967. 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= 14535 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 102 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 99 vectors produced by pass 0 Test12= 6.07D-15 1.00D-09 XBig12= 1.05D+02 2.08D+00. AX will form 99 AO Fock derivatives at one time. 99 vectors produced by pass 1 Test12= 6.07D-15 1.00D-09 XBig12= 2.17D+01 8.49D-01. 99 vectors produced by pass 2 Test12= 6.07D-15 1.00D-09 XBig12= 1.59D-02 1.27D-02. 99 vectors produced by pass 3 Test12= 6.07D-15 1.00D-09 XBig12= 4.09D-06 1.73D-04. 44 vectors produced by pass 4 Test12= 6.07D-15 1.00D-09 XBig12= 2.48D-10 1.34D-06. 3 vectors produced by pass 5 Test12= 6.07D-15 1.00D-09 XBig12= 1.11D-14 9.98D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 443 with 102 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 118.15 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 134.649 0.116 112.625 0.000 -0.001 107.180 191.104 -1.364 190.529 0.000 -0.008 188.041 (Enter /mnt/data/applications/G09/g09/l716.exe) PT1934.600S 2018-04-12T14:28:25.000+02:00 -18.73970 -13.98238 -13.98237 -9.96150 -9.96148 -9.91667 -9.91665 -9.90781 -9.90780 -9.87610 -9.87610 -9.87461 -9.87460 -0.92277 -0.81941 -0.80626 -0.74244 -0.70894 -0.61949 -0.61904 -0.60963 -0.60939 -0.56324 -0.56249 -0.50149 -0.46658 -0.45227 -0.44886 -0.41686 -0.41385 -0.39399 -0.38164 -0.37723 -0.37392 -0.35713 -0.33904 -0.33278 -0.33059 -0.32838 -0.32136 -0.31241 -0.31152 -0.30582 -0.30164 -0.28692 -0.28470 -0.27167 -0.25654 -0.20814 -0.17399 -0.16858 0.04978 0.06841 0.07070 0.08508 0.09440 0.10865 0.10894 0.12086 0.12224 0.12536 0.13670 0.14251 0.14840 0.15493 0.15707 0.16567 0.16716 0.17769 0.18084 0.19002 0.19078 0.19208 0.20058 0.20254 0.20300 0.22191 0.22519 0.22869 0.23190 0.23760 0.25183 0.25530 0.26456 0.27131 0.28320 0.30176 0.30669 0.31248 0.31753 0.32397 0.33186 0.33771 0.35980 0.37001 0.37634 0.37669 0.38203 0.39847 0.39869 0.41850 0.42000 0.43159 0.46457 0.47098 0.49320 0.49836 0.50848 0.51202 0.55460 0.55515 0.57671 0.60050 0.60477 0.60950 0.69547 0.71776 0.74093 0.81981 0.82059 0.83499 0.85166 0.88063 0.90988 0.93502 0.95281 0.96963 0.97155 0.98015 1.00343 1.02047 1.04268 1.05184 1.06069 1.06924 1.07167 1.09314 1.10803 1.13194 1.14399 1.15070 1.15529 1.17165 1.17684 1.20041 1.20490 1.23650 1.25192 1.29101 1.29436 1.36026 1.37139 1.39231 1.52561 1.56068 1.67108 1.75842 22.45750 22.50828 22.61065 22.62292 22.64164 22.66288 22.66596 22.66670 22.70161 22.70936 31.52748 31.55056 41.57509 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 O N N C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H -0.233489 -0.256412 -0.256443 0.354149 0.354165 -0.240962 -0.241016 -0.535936 -0.535966 -0.727996 -0.734137 -0.727963 -0.734003 0.237779 0.237764 0.218838 0.226027 0.218826 0.226045 0.269825 0.269847 0.210044 0.203918 0.237300 0.200211 0.246752 0.207377 0.203926 0.210031 0.237229 0.207397 0.246692 0.200180 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 O N N C C C C C C C C C C -0.233489 0.013413 0.013404 0.354149 0.354165 -0.003183 -0.003252 -0.091071 -0.091095 -0.076734 -0.079796 -0.076777 -0.079733 0.00000 -1.60834405e-05 -9.61268069e-04 1.64933018e-01 1.34649175e+02 1.15870991e-01 1.12625132e+02 2.43033945e-04 -1.07474190e-03 1.07179574e+02 -23.1523 -0.0008 -0.0003 0.0002 21.2360 31.6037 68.7036 126.4102 174.6728 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 68.4984 126.2755 174.6571 177.2848 191.3496 233.5192 238.3871 244.0587 253.7544 307.4794 312.5863 344.5294 344.9890 354.4268 391.2557 428.3812 449.8656 467.9700 479.9178 502.6154 551.3530 615.8359 635.9787 654.1301 676.4620 786.5044 792.5854 852.9082 853.5058 859.3510 894.3979 909.4688 917.3412 937.5202 937.6887 950.7522 986.0746 1004.8909 1014.9324 1016.8948 1045.0051 1143.7428 1146.0155 1166.1684 1174.9003 1194.6741 1200.7308 1210.1473 1251.2758 1269.1761 1278.6224 1297.3929 1305.1314 1328.4496 1344.9794 1357.8672 1367.7186 1370.8581 1373.0408 1390.8701 1394.9835 1449.9943 1454.5501 1458.1278 1464.5597 1464.7930 1470.2043 1471.2147 1474.0553 1476.2837 1492.5796 1492.9015 1495.7321 2968.2901 2968.4537 2972.1289 2972.6124 2990.1775 2995.9055 3033.1435 3036.4661 3036.9480 3051.5268 3055.2341 3056.0473 3063.6154 3063.8333 3083.9775 3084.1158 3086.9846 3087.2581 3469.0151 3469.4835 3.2361 2.6516 1.0809 1.0412 2.3001 3.2936 1.1494 1.0641 2.3159 2.3779 1.8729 2.6878 2.6485 2.3391 2.7973 5.1101 2.7126 2.6775 5.1145 2.0920 2.6812 2.2228 3.0586 1.9899 3.4484 4.2224 3.3615 5.5923 2.5419 2.4287 2.4876 2.1191 1.9053 1.3857 1.4016 1.8002 1.7081 1.5199 1.7304 1.6499 1.9816 2.8173 5.7620 2.5197 1.5466 2.2199 2.6810 2.8144 2.9135 1.3989 1.7302 1.4453 1.2558 1.2909 1.3166 1.3078 1.2888 1.2054 1.2322 1.2023 1.2377 1.0672 1.0562 1.1163 1.1693 1.1040 1.0654 1.0568 1.0573 1.0776 1.0676 1.0670 1.0826 1.0361 1.0361 1.0364 1.0363 1.0596 1.0613 1.0876 1.0904 1.1050 1.1010 1.0991 1.0990 1.0985 1.0985 1.0988 1.0988 1.0982 1.0982 1.0751 1.0752 0.0089 0.0249 0.0194 0.0193 0.0496 0.1058 0.0385 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