Gaussian 09 GINC-KIMIK2073 CBGUSER 000229002 EM64L-G09RevD.01 6-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 184.14919999999995 0 1 AuxInfo=1/0/N:14,12,13,11,10,8,9,6,15,5,4,7,3,2,1/E:(2,3)/CRV:9.3,11.3,13.3,15.1/rA:37O1CC3C3CCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;;s3;s5s6;s2;s4s5;s4;s8s10;s2;s2;s5;s1s7;s5;s6;s6;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-22246.inp" -scrdir="/scratch/" chk=000229002.chk nprocshared=4 mem=3GB #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 000229002 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 1 2 2 2 2 3 3 4 4 5 5 5 5 6 6 6 7 7 8 8 8 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 3 8 12 13 4 6 9 10 7 9 14 16 7 17 18 15 19 11 20 21 22 23 11 24 25 26 27 28 29 30 31 32 33 34 35 36 37 1.211 1.5281 1.5523 1.5431 1.5434 1.3448 1.5072 1.5076 1.5075 1.5478 1.5414 1.5317 1.1203 1.5354 1.1094 1.1119 1.5242 1.1186 1.5294 1.1046 1.1071 1.1097 1.1105 1.5325 1.1079 1.1108 1.1074 1.1056 1.0944 1.0954 1.0941 1.0948 1.094 1.0951 1.0952 1.097 1.0955 1.1013 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A68 A69 A70 A71 A72 A73 A74 A75 3 3 3 8 8 12 2 2 4 3 3 9 7 7 7 9 9 14 3 3 3 7 7 17 5 5 5 6 6 15 2 2 2 11 11 20 4 4 4 5 5 22 4 4 4 11 11 24 8 8 8 10 10 26 2 2 2 28 28 29 2 2 2 31 31 32 5 5 5 34 34 35 1 1 7 2 2 2 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 13 13 13 14 14 14 14 14 14 15 15 15 8 12 13 12 13 13 4 6 6 9 10 10 9 14 16 14 16 16 7 17 18 17 18 18 6 15 19 15 19 19 11 20 21 20 21 21 5 22 23 22 23 23 11 24 25 24 25 25 10 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 7 37 37 111.1061 108.3651 110.8061 109.5936 107.5359 109.4187 123.1465 115.269 121.5812 123.6505 123.4204 112.9286 110.3967 110.8928 107.9652 111.299 108.2488 107.9078 113.7941 110.4395 108.4437 109.5437 108.7209 105.5495 111.35 109.1937 108.6231 110.0906 109.1295 108.3916 111.7157 109.87 109.4619 110.2764 109.4231 105.9242 114.9262 109.5684 108.3809 109.0769 109.2358 105.2043 112.5932 110.5375 108.452 109.5217 109.7374 105.7649 110.0764 110.1223 110.3244 109.9908 110.1758 106.0807 111.6949 111.0362 111.4112 107.4192 107.4126 107.6563 111.2719 112.1213 111.1871 107.6555 107.6122 106.7504 111.6844 111.4056 111.2363 107.6677 107.3495 107.2723 121.8859 122.0645 116.0496 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 8 8 12 12 13 13 3 3 3 12 12 12 13 13 13 3 3 3 8 8 8 13 13 13 3 3 3 8 8 8 12 12 12 2 2 6 6 2 2 2 4 4 4 3 3 3 10 10 10 3 3 3 9 9 9 9 9 9 14 14 14 16 16 16 7 7 7 14 14 14 16 16 16 7 7 7 9 9 9 16 16 16 3 3 3 17 17 17 18 18 18 5 5 6 6 19 19 2 2 2 20 20 20 21 21 21 4 4 4 24 24 24 25 25 25 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 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 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 3 3 3 3 3 3 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 4 4 4 4 6 6 6 6 6 6 9 9 9 9 9 9 10 10 10 10 10 10 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 7 7 7 7 7 7 7 7 7 15 15 15 15 15 15 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 4 6 4 6 4 6 11 20 21 11 20 21 11 20 21 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 9 10 9 10 7 17 18 7 17 18 5 22 23 5 22 23 11 24 25 11 24 25 6 15 19 6 15 19 6 15 19 4 22 23 4 22 23 4 22 23 34 35 36 34 35 36 34 35 36 5 15 19 5 15 19 5 15 19 1 37 1 37 1 37 10 26 27 10 26 27 10 26 27 8 26 27 8 26 27 8 26 27 15.4197 -165.2275 -105.0374 74.3154 134.9032 -45.744 -44.568 -167.2905 76.7891 75.16 -47.5625 -163.4829 -165.9858 71.2917 -44.6287 -59.9869 59.8937 179.8845 178.6196 -61.4998 58.4909 60.9354 -179.184 -59.1933 -52.3648 68.2713 -172.3079 69.2404 -170.1234 -50.7027 -171.7932 -51.157 68.2637 177.5741 -2.1401 -1.739 178.5468 -160.0232 -36.3475 78.8578 19.3408 143.0165 -101.7782 12.2345 135.4437 -110.2624 -168.0245 -44.8153 69.4786 17.7884 140.6354 -103.8428 -161.9533 -39.1063 76.4155 56.133 -65.6429 176.3327 -67.6978 170.5263 52.5019 174.2829 52.507 -65.5174 -38.8708 -162.3419 83.165 84.7251 -38.746 -153.2391 -156.8468 79.6821 -34.811 -53.0518 67.3913 -172.9731 -176.3648 -55.9217 63.7139 65.0024 -174.5545 -54.9189 -46.53 74.7238 -166.4303 -170.6903 -49.4365 69.4093 74.4342 -164.312 -45.4661 -97.5914 82.4049 139.8749 -40.1288 20.5782 -159.4255 61.1873 -60.2494 -177.0119 -176.3224 62.2409 -54.5216 -60.1923 178.371 61.6085 -46.2427 75.2724 -168.1318 -169.6571 -48.1419 68.4538 74.6556 -163.8292 -47.2335 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 222 222 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 9045 NPrTT= 44932 LenC2= 8638 LenP2D= 29150. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 194 RedAO= T EigKep= 9.11D-04 NBF= 194 NBsUse= 194 1.00D-06 EigRej= -1.00D+00 NBFU= 194 Using GEDIIS/GDIIS optimizer. local minimum Step number 13 out of a maximum of 222 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00023 0.00227 0.00285 0.00339 0.00398 0.00479 0.00609 0.00666 0.01030 0.01138 0.01280 0.02467 0.02873 0.03036 0.03467 0.03917 0.04134 0.04259 0.04356 0.04569 0.04758 0.04799 0.04848 0.05156 0.05256 0.05278 0.05307 0.05352 0.05427 0.05450 0.05531 0.05557 0.05582 0.05681 0.05842 0.06624 0.06939 0.07704 0.07858 0.08310 0.08908 0.09306 0.09538 0.09620 0.09813 0.10073 0.11791 0.12428 0.13373 0.14805 0.15450 0.15978 0.15999 0.16000 0.16010 0.16013 0.16024 0.16030 0.16055 0.16246 0.16354 0.16518 0.18774 0.19445 0.22147 0.23057 0.24721 0.25390 0.26987 0.27552 0.27862 0.28284 0.28345 0.28538 0.28674 0.28993 0.29531 0.30392 0.30954 0.31130 0.31604 0.31742 0.32364 0.32510 0.32529 0.32584 0.32691 0.32815 0.32891 0.32935 0.33012 0.33143 0.33204 0.33839 0.34070 0.34197 0.34219 0.34239 0.34266 0.34305 0.34332 0.34387 0.35239 0.51275 0.84639 RFO step: Lambda=-5.45838360D-09. 1 2 0.00023961 0.00000004 0.00000007 0.00000006 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 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 A68 A69 A70 A71 A72 A73 A74 A75 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 2.37298 2.92284 2.94462 2.94892 2.94243 2.58808 2.88890 2.88420 2.87960 2.96107 2.92463 2.92088 2.09390 2.91869 2.09640 2.09554 2.88133 2.09515 2.91074 2.09376 2.09686 2.09827 2.10121 2.91194 2.09747 2.10172 2.09247 2.09145 2.08894 2.08729 2.09156 2.09033 2.08787 2.09124 2.09020 2.08806 2.08982 2.11982 1.93204 1.91567 1.92901 1.91150 1.88149 1.89342 2.14327 2.02749 2.11241 2.14926 2.15062 1.98326 1.90521 1.94193 1.87259 1.95274 1.89980 1.88935 1.98784 1.91803 1.91198 1.90662 1.89948 1.83343 1.93411 1.91306 1.87839 1.93958 1.92852 1.86804 1.96640 1.89958 1.89807 1.93403 1.89646 1.86632 2.00557 1.89794 1.89428 1.90575 1.91826 1.83417 1.97537 1.90365 1.89788 1.92692 1.91468 1.84023 1.91198 1.92096 1.92782 1.91554 1.92438 1.86270 1.94960 1.94352 1.92352 1.87951 1.87633 1.88880 1.93863 1.95874 1.91639 1.88856 1.88322 1.87565 1.94268 1.94786 1.92433 1.88866 1.88075 1.87697 2.16164 2.10382 2.01760 0.24071 -2.89430 -1.87141 1.27677 2.32406 -0.81095 -0.78557 -2.93790 1.31800 1.32902 -0.82331 -2.85059 -2.89732 1.23354 -0.79375 -0.98820 1.11402 -3.07283 -3.11266 -1.01044 1.08590 1.12115 -3.05982 -0.96348 -0.98206 1.13465 -3.06363 1.13158 -3.03490 -0.95000 -3.08314 -0.96643 1.11847 -3.13636 0.01468 -0.00167 -3.13382 -2.84168 -0.69610 1.30979 0.30637 2.45196 -1.82534 0.23688 2.37851 -1.91829 -2.91334 -0.77171 1.21468 0.26763 2.41997 -1.86480 -2.86533 -0.71299 1.28543 1.03586 -1.11116 -3.13690 -1.12767 3.00850 0.98276 3.09188 0.94486 -1.08088 -0.73862 -2.87606 1.40373 1.41852 -0.71892 -2.72232 -2.77745 1.36830 -0.63510 -0.93071 1.18141 -3.01694 -3.06704 -0.95491 1.12992 1.12280 -3.04826 -0.96343 -0.82521 1.30640 -2.90571 -2.97702 -0.84541 1.22567 1.31337 -2.83820 -0.76712 -1.34101 1.78405 2.79839 -0.35973 0.69127 -2.46684 1.07792 -1.02977 -3.08220 -3.07223 1.10326 -0.94916 -1.02657 -3.13427 1.09649 -0.78673 1.32424 -2.91187 -2.92619 -0.81522 1.23186 1.33628 -2.83592 -0.78885 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 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-0.00020 -0.00016 -0.00017 -0.00009 -0.00006 -0.00006 0.00002 -0.00003 -0.00003 -0.00008 -0.00014 -0.00013 0.00013 0.00012 0.00004 0.00013 0.00012 0.00004 0.00012 0.00012 0.00004 0.00006 0.00003 0.00004 0.00007 0.00005 0.00005 0.00002 0.00000 0.00000 0.00020 0.00019 0.00021 0.00020 0.00020 0.00021 0.00025 0.00024 0.00026 -0.00020 -0.00010 -0.00014 -0.00014 -0.00004 -0.00008 -0.00015 -0.00005 -0.00009 0.00054 0.00058 0.00054 0.00058 0.00062 0.00066 -0.00001 -0.00001 0.00000 0.00003 0.00002 0.00004 0.00000 -0.00001 0.00000 -0.00009 -0.00008 -0.00008 -0.00002 0.00000 0.00000 -0.00003 -0.00001 -0.00002 2.37301 2.92284 2.94461 2.94891 2.94246 2.58807 2.88887 2.88421 2.87958 2.96100 2.92459 2.92090 2.09391 2.91874 2.09641 2.09553 2.88125 2.09517 2.91076 2.09375 2.09686 2.09828 2.10121 2.91194 2.09747 2.10172 2.09247 2.09145 2.08893 2.08729 2.09155 2.09032 2.08786 2.09124 2.09020 2.08805 2.08981 2.11977 1.93207 1.91576 1.92900 1.91146 1.88145 1.89338 2.14327 2.02750 2.11239 2.14927 2.15063 1.98325 1.90520 1.94194 1.87264 1.95274 1.89977 1.88932 1.98779 1.91804 1.91207 1.90659 1.89945 1.83346 1.93406 1.91319 1.87839 1.93954 1.92847 1.86805 1.96639 1.89961 1.89809 1.93403 1.89643 1.86631 2.00557 1.89795 1.89427 1.90577 1.91824 1.83417 1.97534 1.90361 1.89793 1.92692 1.91471 1.84023 1.91198 1.92097 1.92781 1.91554 1.92440 1.86270 1.94964 1.94350 1.92350 1.87951 1.87635 1.88879 1.93861 1.95871 1.91640 1.88858 1.88324 1.87567 1.94266 1.94786 1.92432 1.88867 1.88075 1.87698 2.16160 2.10379 2.01768 0.24050 -2.89438 -1.87165 1.27665 2.32382 -0.81107 -0.78542 -2.93777 1.31813 1.32928 -0.82307 -2.85036 -2.89714 1.23369 -0.79360 -0.98801 1.11421 -3.07267 -3.11254 -1.01032 1.08598 1.12136 -3.05961 -0.96331 -0.98183 1.13486 -3.06342 1.13181 -3.03468 -0.94977 -3.08300 -0.96630 1.11861 -3.13611 0.01481 -0.00155 -3.13381 -2.84172 -0.69622 1.30976 0.30645 2.45196 -1.82525 0.23668 2.37835 -1.91846 -2.91343 -0.77177 1.21462 0.26765 2.41994 -1.86483 -2.86541 -0.71312 1.28529 1.03599 -1.11103 -3.13685 -1.12754 3.00862 0.98280 3.09200 0.94498 -1.08084 -0.73856 -2.87602 1.40376 1.41859 -0.71887 -2.72227 -2.77743 1.36830 -0.63510 -0.93052 1.18161 -3.01673 -3.06684 -0.95471 1.13014 1.12304 -3.04802 -0.96317 -0.82541 1.30630 -2.90585 -2.97716 -0.84545 1.22559 1.31323 -2.83825 -0.76721 -1.34047 1.78463 2.79893 -0.35915 0.69189 -2.46619 1.07792 -1.02979 -3.08220 -3.07220 1.10329 -0.94912 -1.02658 -3.13428 1.09650 -0.78682 1.32417 -2.91194 -2.92621 -0.81522 1.23185 1.33626 -2.83594 -0.78886 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000022 0.000003 0.001379 0.000240 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.223535e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 1 2 2 2 2 3 3 4 4 5 5 5 5 6 6 6 7 7 8 8 8 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 3 8 12 13 4 6 9 10 7 9 14 16 7 17 18 15 19 11 20 21 22 23 11 24 25 26 27 28 29 30 31 32 33 34 35 36 37 1.2557 1.5467 1.5582 1.5605 1.5571 1.3696 1.5287 1.5263 1.5238 1.5669 1.5476 1.5457 1.108 1.5445 1.1094 1.1089 1.5247 1.1087 1.5403 1.108 1.1096 1.1104 1.1119 1.5409 1.1099 1.1122 1.1073 1.1067 1.1054 1.1045 1.1068 1.1062 1.1049 1.1066 1.1061 1.105 1.1059 1.1218 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A68 A69 A70 A71 A72 A73 A74 A75 3 3 3 8 8 12 2 2 4 3 3 9 7 7 7 9 9 14 3 3 3 7 7 17 5 5 5 6 6 15 2 2 2 11 11 20 4 4 4 5 5 22 4 4 4 11 11 24 8 8 8 10 10 26 2 2 2 28 28 29 2 2 2 31 31 32 5 5 5 34 34 35 1 1 7 2 2 2 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 13 13 13 14 14 14 14 14 14 15 15 15 8 12 13 12 13 13 4 6 6 9 10 10 9 14 16 14 16 16 7 17 18 17 18 18 6 15 19 15 19 19 11 20 21 20 21 21 5 22 23 22 23 23 11 24 25 24 25 25 10 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 7 37 37 110.6975 109.7596 110.5242 109.5207 107.8013 108.4848 122.8003 116.1664 121.0322 123.1437 123.2217 113.6327 109.1608 111.2641 107.2917 111.8837 108.8503 108.2517 113.8949 109.8953 109.5485 109.2414 108.8322 105.0479 110.8164 109.6105 107.6236 111.1297 110.4961 107.0306 112.6662 108.8379 108.7517 110.8119 108.659 106.9324 114.9106 108.744 108.5341 109.1914 109.9081 105.0903 113.1802 109.0708 108.7408 110.4045 109.7033 105.4376 109.5482 110.0629 110.4562 109.7526 110.2591 106.7251 111.704 111.3556 110.2097 107.6881 107.506 108.2202 111.0753 112.2274 109.8011 108.2063 107.9007 107.467 111.3074 111.6042 110.2559 108.2124 107.7588 107.5422 123.853 120.54 115.6002 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 8 8 12 12 13 13 3 3 3 12 12 12 13 13 13 3 3 3 8 8 8 13 13 13 3 3 3 8 8 8 12 12 12 2 2 6 6 2 2 2 4 4 4 3 3 3 10 10 10 3 3 3 9 9 9 9 9 9 14 14 14 16 16 16 7 7 7 14 14 14 16 16 16 7 7 7 9 9 9 16 16 16 3 3 3 17 17 17 18 18 18 5 5 6 6 19 19 2 2 2 20 20 20 21 21 21 4 4 4 24 24 24 25 25 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 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 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 3 3 3 3 3 3 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 4 4 4 4 6 6 6 6 6 6 9 9 9 9 9 9 10 10 10 10 10 10 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 7 7 7 7 7 7 7 7 7 15 15 15 15 15 15 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 4 6 4 6 4 6 11 20 21 11 20 21 11 20 21 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 9 10 9 10 7 17 18 7 17 18 5 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0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 184.14919999999995 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4.443742 2.547207 4.836070 3.951312 3.213813 0.000000 6.547622 1.557067 2.550581 3.712511 5.133252 2.984561 4.514126 2.517144 4.978901 4.314805 3.900341 2.529898 0.000000 4.547792 4.905632 3.534841 3.320417 1.545662 3.088488 2.569254 5.609583 2.562714 4.544851 5.741320 6.008223 5.150957 0.000000 1.255728 4.452278 3.209318 3.376736 2.526619 2.531431 1.524735 5.574877 3.004634 4.689955 5.417950 4.466768 5.313301 3.899293 0.000000 2.880146 5.518165 3.972869 3.496209 1.108046 3.497611 2.171446 6.287518 2.175113 4.721284 6.007275 6.199314 6.211392 2.165554 2.683340 0.000000 3.794905 2.737199 2.173017 3.343399 3.514928 1.109369 2.178418 4.250847 3.932826 4.655422 4.848542 2.837439 3.001157 4.127846 2.682074 4.321694 0.000000 4.529762 2.989371 2.168223 3.142782 2.917569 1.108911 2.172763 4.261397 3.562776 4.508007 4.988857 3.862329 2.810905 2.860167 3.462091 3.888237 1.760444 0.000000 2.646723 4.793060 3.516707 3.949666 2.176341 2.194058 1.108705 6.053974 3.486271 5.467813 6.298644 5.235336 5.071905 2.751350 2.131728 2.483021 2.592636 2.420298 0.000000 7.625073 2.184165 3.497046 3.939258 6.330350 4.775517 6.049553 1.107968 5.461253 3.490295 2.193814 2.665887 2.826709 6.666232 6.405869 7.338856 4.884406 5.067421 6.940446 0.000000 7.309765 2.184248 2.914853 3.106730 5.333132 4.222530 5.395453 1.109609 4.500588 2.728635 2.167341 3.487690 2.614199 5.368442 6.088186 6.379760 4.706523 4.288009 6.254059 1.781836 0.000000 4.760663 4.645239 3.330168 2.156731 2.181263 3.894349 3.489412 4.757599 1.110359 2.677677 4.190858 5.668904 5.552392 2.662157 4.068742 2.629229 4.908493 4.262664 4.317326 5.852631 4.660712 0.000000 3.425556 4.546139 3.187280 2.155153 2.191691 3.625378 2.953893 4.906439 1.111913 2.870007 4.159005 5.105207 5.724361 3.485868 2.843857 2.376016 4.385425 4.389089 3.908520 5.915596 5.199994 1.764113 0.000000 5.638393 3.967242 3.342235 2.158526 4.187246 4.617759 4.768866 3.479794 2.660471 1.109936 2.190668 4.618565 5.337856 5.006749 4.779568 4.750925 5.289913 5.298653 5.853016 4.346789 3.790005 2.709797 2.560036 0.000000 6.472103 3.632234 3.169554 2.155920 4.226103 4.502659 4.948414 2.899664 2.906921 1.112181 2.183351 4.785233 4.632605 4.490486 5.468450 5.014274 5.331043 4.832227 5.935888 3.863333 2.671940 2.618736 3.427743 1.768078 0.000000 6.233606 2.821780 3.178724 2.942917 5.421131 4.581789 5.314841 2.183754 4.210270 2.180331 1.107287 2.887773 4.293616 6.252978 5.185728 6.192474 4.804603 5.319562 6.385245 2.556795 3.090332 4.678266 4.212718 2.445656 3.083544 0.000000 7.545719 3.536690 3.970434 3.499024 6.058470 5.497996 6.291679 2.188373 4.729687 2.186418 1.106749 4.146287 4.695220 6.558719 6.470746 6.885223 5.937491 5.984645 7.346525 2.506583 2.528375 4.809591 4.944379 2.604484 2.434796 1.776604 0.000000 5.097339 2.221030 2.782026 3.922876 5.186249 2.909369 4.053309 3.525235 5.018266 4.671150 4.179437 1.105418 2.825485 5.936300 4.001078 6.014854 2.180248 3.568839 4.685491 3.717728 4.358180 5.966518 5.263206 5.286787 5.523848 3.821796 5.173830 0.000000 5.422518 2.215973 2.834527 3.448155 5.367340 3.689130 4.622680 2.788642 4.687434 3.660973 2.894354 1.104545 3.507275 6.287149 4.342754 6.158295 3.395155 4.513898 5.525409 2.943126 3.851858 5.526817 4.730027 4.094786 4.639586 2.227142 3.800000 1.784355 0.000000 6.691151 2.203070 3.506325 4.477868 6.354166 4.189776 5.493113 2.807615 5.864906 4.698985 3.676118 1.106805 2.728670 6.955374 5.546318 7.280391 3.725318 4.667529 6.227847 2.471530 3.717677 6.633856 6.158976 5.402764 5.447451 3.363239 4.415592 1.784104 1.791514 0.000000 6.875079 2.210596 2.781843 3.726640 4.966037 3.198239 4.619749 2.806228 4.864568 4.312888 4.143946 3.508023 1.106153 4.676551 5.658594 6.068463 3.525381 2.730694 5.121879 3.287869 2.450739 5.254392 5.760634 5.394643 4.371573 4.768764 4.842976 3.825522 4.382717 3.773347 0.000000 6.216144 2.224117 2.868673 4.187542 5.129241 2.722703 4.240390 3.503419 5.270364 5.059442 4.771445 2.759700 1.104852 5.162510 5.044266 6.150503 2.454058 2.448747 4.602589 3.799536 3.686299 5.965128 5.987573 6.016441 5.460634 5.019866 5.656848 2.604102 3.809436 3.014688 1.791077 0.000000 7.515853 2.194660 3.508758 4.590178 6.213807 4.048097 5.583240 2.699654 5.953419 4.934623 4.206396 2.795786 1.106638 6.227128 6.281533 7.292124 3.927341 3.895484 6.141474 2.561140 2.815441 6.487098 6.652041 5.956791 5.225565 4.562921 4.833154 3.229539 3.785889 2.536233 1.789057 1.783067 0.000000 4.651426 5.539538 4.227489 4.256662 2.203400 3.407379 2.779623 6.420363 3.528268 5.572745 6.688127 6.550101 5.577375 1.106088 4.156775 2.548541 4.295938 2.993756 2.500780 7.430319 6.191168 3.727683 4.349035 6.050678 5.561856 7.150709 7.551485 6.314425 6.921584 7.478166 5.112851 5.387015 6.660013 0.000000 5.179243 4.223007 3.061310 3.034673 2.206274 2.824906 2.898803 4.856876 2.794788 4.170250 5.201994 5.490644 4.289419 1.104952 4.316247 3.098914 3.883808 2.370225 3.207474 5.879207 4.490901 2.872701 3.866480 4.846954 4.019837 5.832112 5.985936 5.523100 5.895258 6.340878 3.686081 4.406734 5.326703 1.791175 0.000000 5.222821 5.686179 4.330332 3.821803 2.189893 4.116975 3.528353 6.164444 2.853795 4.794866 6.134513 6.862640 5.994367 1.105885 4.698980 2.473009 5.183055 3.917444 3.734701 7.249997 5.818643 2.520088 3.704037 5.135752 4.545129 6.724067 6.826285 6.891369 7.060368 7.804078 5.422578 6.124570 7.033134 1.786783 1.783399 0.000000 2.065612 3.898192 2.903379 3.137169 3.203450 2.637424 2.249718 4.958527 3.191624 4.252926 4.731263 3.647985 4.961410 4.579061 1.121758 3.540782 2.584344 3.720148 3.044716 5.688901 5.636483 4.291708 2.921299 4.322475 5.182189 4.329564 5.784121 3.260149 3.359118 4.714218 5.472909 4.791965 5.819216 4.987843 4.796232 5.372776 0.000000 0.8691066 0.4322162 0.3987115 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= 191 191 191 191 191 MxSgAt= 37 MxSgA2= 37. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 9045 NPrTT= 44932 LenC2= 8623 LenP2D= 29043. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 194 RedAO= T EigKep= 9.82D-04 NBF= 194 NBsUse= 194 1.00D-06 EigRej= -1.00D+00 NBFU= 194 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= 190 190 191 191 191 MxSgAt= 37 MxSgA2= 37. 1 Closed 1 0 1 -620.651075407413 -620.793317231992 -0.142241824580 -620.981298049015 -0.187980817023 -620.514195708938 0.467102340077 -620.984646269046 -0.470450560108 -621.037418896689 -0.052772627643 -621.037645341776 -0.000226445088 -621.037702681976 -0.000057340200 -621.037705242335 -0.000002560359 -621.037666041208 0.000039201127 -621.037666503911 -0.000000462703 -621.037666309333 0.000000194577 -621.037666614118 -0.000000304785 -621.037666617515 -0.000000003396 -621.037666618216 -0.000000000701 -621.037666618316 -0.000000000100 -621.037666618296 0.000000000020 -621.037666618 17 6.183329748791e+02 -3.598886383260e+03 1.281614486896e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=182739270. IVT= 133860 IEndB= 133860 NGot= 402653184 MDV= 223621255 LenX= 223621255 LenY= 223583178 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= 18915 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -9.87916256e-01 -7.45527228e-01 5.25186353e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.055705089 0.032535899 -0.026345931 -0.008262947 -0.003168915 0.002194991 -0.006118634 0.013268666 0.006915243 0.003933539 -0.016872390 -0.008841834 0.010101983 -0.006213506 -0.003860041 0.002160007 0.002095632 0.007861372 0.002207125 0.006691882 0.002926649 -0.001195305 -0.000127869 0.000119073 0.007942669 -0.000617360 -0.002687185 -0.005887545 -0.003567924 -0.002729492 -0.005276238 -0.003629645 -0.004725938 -0.000329345 0.001239849 -0.002703979 0.001486652 0.001965624 0.000943987 -0.001275071 -0.000620114 0.003261675 -0.036699300 -0.025180981 0.032349044 -0.005144434 0.001334853 0.003489016 0.000832096 -0.000844336 0.000786134 0.000661627 0.002426873 -0.000873077 -0.002476652 -0.002132355 -0.007285625 -0.001151754 0.002859773 0.000057934 0.001660090 -0.001513466 0.001089890 -0.000346066 -0.000058109 -0.000342319 -0.000654579 -0.001109503 -0.001511470 0.002251828 -0.000436828 -0.000049570 -0.000409720 -0.001326198 -0.000272926 0.000592129 0.000166728 0.000184455 -0.000790109 -0.000986736 -0.000270829 0.004490209 0.005361199 0.001351998 0.000884638 -0.001421146 -0.005754220 -0.007561628 0.002726121 0.001918367 0.001093615 -0.005876403 0.004465213 0.004341515 0.005858296 0.001920584 -0.007432750 0.001154962 -0.000905576 0.004831254 0.003916938 0.003609295 -0.005121362 0.000103133 0.002298839 0.001824867 -0.006360002 -0.001302890 -0.010867492 -0.001642642 -0.007280857 0.055705089 0.009434175 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -621.045353095901 -621.045384563162 -0.000031467260 -621.045384724891 -0.000000161730 -621.045384842278 -0.000000117387 -621.045385012806 -0.000000170527 -621.045385017174 -0.000000004368 -621.045385017773 -0.000000000599 -621.045385017821 -0.000000000048 -621.045385017839 -0.000000000018 -621.045385018 9 6.176789517621e+02 -3.578253076424e+03 1.271720484941e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=182739270. IVT= 133860 IEndB= 133860 NGot= 402653184 MDV= 223621255 LenX= 223621255 LenY= 223583178 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= 18915 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V 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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 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 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|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S 1.13256 0.85911 0.98112 0.85483 1.13173 0.97499 1.25119 0.25696 0.35561 0.39140 1.17438 0.81391 0.72180 0.54352 0.85697 0.85706 0.85115 0.03541 -0.02015 -0.04891 1.17441 0.81378 0.73790 0.49229 0.87509 0.87391 0.81256 -0.08868 -0.02960 0.15104 1.17441 0.81387 0.74202 0.46087 0.87940 0.87338 0.80985 -0.09509 0.00241 0.14267 1.17435 0.81411 0.72163 0.59895 0.90654 0.82807 0.86793 0.12909 0.02425 0.02839 1.17423 0.81413 0.71599 0.69399 0.86269 0.90709 0.91349 0.06839 0.23099 0.22219 1.17431 0.81402 0.72339 0.60863 0.89212 0.87213 0.86907 0.08136 0.06655 0.06098 1.17431 0.81416 0.72198 0.64973 0.88725 0.88434 0.88209 0.18503 0.12122 0.11279 1.17425 0.81412 0.71916 0.68530 0.86830 0.90500 0.90436 0.07234 0.20491 0.19434 1.17426 0.81416 0.72199 0.65520 0.87417 0.89304 0.90750 0.08039 0.18106 0.21678 1.17428 0.81422 0.72081 0.63730 0.87618 0.89911 0.88592 0.12944 0.18186 0.13468 1.17428 0.81424 0.72464 0.70736 0.91345 0.88153 0.90206 0.23457 0.18271 0.21236 1.17427 0.81423 0.72406 0.72237 0.91647 0.91520 0.86772 0.22591 0.24983 0.14915 1.17425 0.81430 0.72403 0.70732 0.92465 0.90998 0.87122 0.24825 0.23237 0.15070 1.17472 0.81384 0.80124 0.48897 0.89590 0.66463 0.88907 0.09375 0.16831 0.13596 0.51629 0.24361 0.51331 0.26834 0.51253 0.24503 0.51119 0.24595 0.51494 0.28680 0.51380 0.29046 0.51171 0.27575 0.51192 0.25541 0.51329 0.27047 0.51099 0.27415 0.51491 0.27913 0.51477 0.27874 0.51298 0.27869 0.51256 0.26071 0.51111 0.27348 0.51113 0.27109 0.51382 0.26270 0.51087 0.27466 0.51107 0.27088 0.51168 0.25373 0.51078 0.27075 0.51049 0.30588 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 O C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.189515 0.214856 0.187289 0.196210 -0.093331 -0.603175 -0.162549 -0.432898 -0.542096 -0.518569 -0.453796 -0.747189 -0.759214 -0.757088 -0.126388 0.240096 0.218353 0.242443 0.242860 0.198255 0.195740 0.212546 0.232670 0.216237 0.214862 0.205957 0.206492 0.208327 0.226730 0.215410 0.217779 0.223474 0.214471 0.218051 0.234592 0.218471 0.183638 0.00000 -1.07222391e+00 -5.32470930e-01 6.93350606e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.7253 -1.3534 1.7623 3.5164 -103.9342 -91.9389 -95.3428 -6.3464 8.3640 4.1245 -6.8622 5.1331 1.7291 -6.3464 8.3640 4.1245 -73.0077 3.5273 -9.6272 -11.0741 -23.2275 28.5388 -15.3305 -2.8163 0.5828 13.6193 -2788.3193 -1059.9527 -822.7154 -106.2829 134.8176 -2.2024 -18.6514 41.4901 -13.8322 -638.2901 -619.3118 -326.2075 46.8562 23.8193 -15.6032 0 -621.045385 3.242E-9 8.885E-6 -5.1019039,3.8163307,1.2855732,-4.7184232,6.2184353,3.0664353 C01 [X(C14H22O1)] -1.0722239 -0.5324709 0.6933506 @ -0.000000001 0.000005263 -0.000005025 0.000012556 -0.000009012 -0.000015940 0.000013867 0.000001033 -0.000002190 -0.000011333 0.000011680 -0.000005495 -0.000014061 0.000019004 -0.000002852 -0.000026347 -0.000008952 0.000009034 0.000024436 0.000000135 -0.000041772 -0.000003922 0.000007902 0.000007952 0.000010226 0.000000504 0.000010724 0.000008032 -0.000005204 0.000011686 0.000005593 -0.000008659 0.000002317 -0.000012048 -0.000000504 0.000013812 -0.000008360 0.000001583 0.000014317 0.000004061 0.000001602 0.000006050 -0.000031477 0.000002100 0.000015940 0.000004634 0.000001226 -0.000002895 -0.000001915 0.000002354 -0.000005532 0.000006781 0.000004267 -0.000004301 -0.000002529 0.000007893 0.000000925 -0.000001894 -0.000011068 0.000003408 0.000000861 -0.000005160 0.000002115 0.000004808 0.000002015 -0.000000231 0.000002308 0.000002974 -0.000000093 0.000002997 -0.000001109 0.000001821 0.000006689 -0.000005283 -0.000000370 -0.000002610 -0.000007822 0.000001223 0.000002528 -0.000004925 0.000004265 -0.000007812 -0.000004372 -0.000004860 -0.000004838 -0.000004687 0.000001843 -0.000002214 -0.000009207 -0.000000396 0.000002483 -0.000000093 -0.000003749 -0.000004431 -0.000003061 -0.000004281 0.000000657 -0.000005411 0.000001264 0.000001441 0.000008320 -0.000005173 0.000006137 0.000005262 -0.000002131 0.000007501 0.000009060 -0.000000992 0.000007198 0.000000347 -0.000000417 184.14919999999995 AuxInfo=1/0/N:14,12,13,11,10,8,9,6,15,5,4,7,3,2,1/E:(2,3)/CRV:9.3,11.3,13.3,15.1/rA:37O1CC3C3CCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;;s3;s5s6;s2;s4s5;s4;s8s10;s2;s2;s5;s1s7;s5;s6;s6;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2073 CBGUSER 000229002 EM64L-G09RevD.01 6-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 105 C1[X(C14H22O)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 184.14919999999995 0 1 AuxInfo=1/0/N:14,12,13,11,10,8,9,6,15,5,4,7,3,2,1/E:(2,3)/CRV:9.3,11.3,13.3,15.1/rA:37O1CC3C3CCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;;s3;s5s6;s2;s4s5;s4;s8s10;s2;s2;s5;s1s7;s5;s6;s6;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-23031.inp" -scrdir="/scratch/" chk=000229002-Freq.chk nprocshared=4 mem=3GB #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 000229002 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000399 0.000107 0.086870 0.028421 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -3.449189e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1067.8082586494 194 448 194 57 57 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 37 37 37 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 184.14919999999995 AuxInfo=1/0/N:14,12,13,11,10,8,9,6,15,5,4,7,3,2,1/E:(2,3)/CRV:9.3,11.3,13.3,15.1/rA:37O1CC3C3CCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;;s3;s5s6;s2;s4s5;s4;s8s10;s2;s2;s5;s1s7;s5;s6;s6;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.703398 0.000000 4.449020 1.546701 0.000000 4.473959 2.561830 1.369554 0.000000 3.182513 4.490934 2.953433 2.591239 0.000000 3.704948 2.610501 1.528738 2.524163 2.561419 0.000000 2.456591 3.963839 2.575915 2.897082 1.566932 1.544503 0.000000 6.796298 1.558224 2.554206 2.872716 5.277275 3.945536 5.128877 0.000000 3.806090 3.987392 2.547708 1.526253 1.547648 2.992286 2.538188 4.386263 0.000000 5.715777 3.042458 2.546471 1.523821 3.938915 3.954210 4.404251 2.517005 2.552669 0.000000 6.527879 2.578839 2.913323 2.558328 5.148517 4.432123 5.244794 1.540296 3.910561 1.540931 0.000000 5.629700 1.560503 2.541541 3.523375 5.302098 3.228810 4.443742 2.547207 4.836070 3.951312 3.213812 0.000000 6.547621 1.557066 2.550582 3.712511 5.133252 2.984561 4.514126 2.517144 4.978901 4.314805 3.900341 2.529897 0.000000 4.547792 4.905632 3.534841 3.320417 1.545662 3.088488 2.569255 5.609583 2.562713 4.544851 5.741320 6.008223 5.150957 0.000000 1.255728 4.452279 3.209319 3.376736 2.526619 2.531431 1.524735 5.574877 3.004635 4.689956 5.417950 4.466768 5.313302 3.899294 0.000000 2.880146 5.518166 3.972869 3.496209 1.108046 3.497612 2.171447 6.287518 2.175113 4.721284 6.007275 6.199315 6.211392 2.165553 2.683341 0.000000 3.794905 2.737198 2.173017 3.343398 3.514929 1.109369 2.178418 4.250846 3.932826 4.655421 4.848542 2.837438 3.001156 4.127846 2.682074 4.321695 0.000000 4.529762 2.989371 2.168223 3.142782 2.917569 1.108911 2.172762 4.261396 3.562776 4.508007 4.988857 3.862329 2.810905 2.860167 3.462092 3.888237 1.760444 0.000000 2.646723 4.793060 3.516707 3.949666 2.176341 2.194058 1.108705 6.053974 3.486271 5.467813 6.298644 5.235336 5.071906 2.751350 2.131728 2.483021 2.592637 2.420298 0.000000 7.625073 2.184165 3.497047 3.939258 6.330350 4.775517 6.049553 1.107968 5.461253 3.490295 2.193814 2.665886 2.826709 6.666232 6.405869 7.338857 4.884406 5.067421 6.940447 0.000000 7.309765 2.184247 2.914853 3.106731 5.333132 4.222530 5.395453 1.109608 4.500588 2.728636 2.167340 3.487690 2.614199 5.368443 6.088186 6.379760 4.706523 4.288009 6.254060 1.781835 0.000000 4.760662 4.645239 3.330168 2.156732 2.181262 3.894350 3.489413 4.757599 1.110358 2.677678 4.190858 5.668904 5.552392 2.662156 4.068742 2.629229 4.908493 4.262664 4.317326 5.852632 4.660713 0.000000 3.425555 4.546139 3.187280 2.155153 2.191691 3.625378 2.953893 4.906439 1.111913 2.870008 4.159005 5.105207 5.724361 3.485868 2.843857 2.376016 4.385424 4.389088 3.908519 5.915596 5.199995 1.764113 0.000000 5.638393 3.967242 3.342235 2.158526 4.187245 4.617759 4.768866 3.479794 2.660471 1.109936 2.190668 4.618565 5.337855 5.006749 4.779568 4.750925 5.289912 5.298653 5.853016 4.346789 3.790005 2.709797 2.560036 0.000000 6.472103 3.632234 3.169554 2.155920 4.226102 4.502659 4.948414 2.899664 2.906920 1.112182 2.183352 4.785233 4.632605 4.490486 5.468450 5.014274 5.331042 4.832227 5.935888 3.863333 2.671940 2.618736 3.427743 1.768077 0.000000 6.233606 2.821780 3.178724 2.942918 5.421131 4.581790 5.314841 2.183755 4.210271 2.180331 1.107288 2.887772 4.293616 6.252979 5.185729 6.192475 4.804603 5.319563 6.385246 2.556795 3.090332 4.678266 4.212718 2.445656 3.083544 0.000000 7.545719 3.536690 3.970433 3.499024 6.058469 5.497997 6.291679 2.188373 4.729686 2.186417 1.106749 4.146287 4.695220 6.558719 6.470746 6.885223 5.937490 5.984645 7.346525 2.506584 2.528375 4.809591 4.944379 2.604483 2.434796 1.776604 0.000000 5.097339 2.221031 2.782027 3.922876 5.186249 2.909370 4.053309 3.525235 5.018267 4.671150 4.179437 1.105418 2.825485 5.936300 4.001078 6.014854 2.180248 3.568839 4.685491 3.717728 4.358180 5.966519 5.263206 5.286787 5.523848 3.821796 5.173830 0.000000 5.422518 2.215973 2.834528 3.448155 5.367340 3.689131 4.622680 2.788642 4.687434 3.660972 2.894354 1.104546 3.507275 6.287149 4.342754 6.158295 3.395154 4.513898 5.525410 2.943126 3.851857 5.526817 4.730027 4.094786 4.639585 2.227141 3.799999 1.784356 0.000000 6.691151 2.203070 3.506326 4.477868 6.354166 4.189776 5.493113 2.807615 5.864906 4.698985 3.676118 1.106805 2.728670 6.955374 5.546318 7.280391 3.725318 4.667529 6.227848 2.471530 3.717677 6.633856 6.158977 5.402764 5.447451 3.363239 4.415592 1.784104 1.791515 0.000000 6.875079 2.210595 2.781843 3.726640 4.966037 3.198239 4.619749 2.806227 4.864568 4.312888 4.143946 3.508023 1.106153 4.676551 5.658594 6.068463 3.525381 2.730694 5.121880 3.287869 2.450739 5.254393 5.760634 5.394643 4.371574 4.768764 4.842976 3.825523 4.382718 3.773347 0.000000 6.216144 2.224117 2.868674 4.187541 5.129241 2.722703 4.240389 3.503418 5.270364 5.059442 4.771445 2.759699 1.104852 5.162510 5.044266 6.150504 2.454058 2.448748 4.602590 3.799535 3.686299 5.965129 5.987573 6.016441 5.460634 5.019865 5.656848 2.604103 3.809436 3.014687 1.791078 0.000000 7.515853 2.194659 3.508758 4.590177 6.213807 4.048096 5.583239 2.699653 5.953419 4.934623 4.206395 2.795785 1.106638 6.227129 6.281534 7.292124 3.927341 3.895485 6.141475 2.561140 2.815441 6.487099 6.652041 5.956791 5.225565 4.562921 4.833154 3.229539 3.785889 2.536232 1.789057 1.783067 0.000000 4.651426 5.539538 4.227489 4.256662 2.203400 3.407379 2.779623 6.420363 3.528268 5.572745 6.688127 6.550101 5.577375 1.106089 4.156775 2.548541 4.295938 2.993756 2.500780 7.430319 6.191169 3.727683 4.349035 6.050678 5.561856 7.150710 7.551485 6.314425 6.921584 7.478166 5.112851 5.387015 6.660013 0.000000 5.179243 4.223007 3.061310 3.034673 2.206275 2.824906 2.898803 4.856876 2.794788 4.170251 5.201994 5.490644 4.289419 1.104953 4.316248 3.098915 3.883808 2.370225 3.207474 5.879207 4.490901 2.872702 3.866481 4.846954 4.019837 5.832112 5.985936 5.523101 5.895258 6.340878 3.686081 4.406734 5.326703 1.791176 0.000000 5.222821 5.686178 4.330332 3.821802 2.189893 4.116974 3.528353 6.164444 2.853794 4.794866 6.134513 6.862639 5.994367 1.105884 4.698980 2.473008 5.183055 3.917444 3.734701 7.249997 5.818644 2.520088 3.704036 5.135752 4.545129 6.724067 6.826285 6.891369 7.060368 7.804078 5.422578 6.124570 7.033134 1.786784 1.783400 0.000000 2.065612 3.898192 2.903379 3.137169 3.203450 2.637424 2.249719 4.958526 3.191624 4.252925 4.731263 3.647985 4.961410 4.579061 1.121759 3.540783 2.584344 3.720148 3.044716 5.688901 5.636482 4.291708 2.921298 4.322475 5.182188 4.329564 5.784120 3.260149 3.359118 4.714218 5.472909 4.791965 5.819216 4.987843 4.796232 5.372775 0.000000 C14H22O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 184.14919999999995 AuxInfo=1/0/N:14,12,13,11,10,8,9,6,15,5,4,7,3,2,1/E:(2,3)/CRV:9.3,11.3,13.3,15.1/rA:37O1CC3C3CCCCCCCCCCC3HHHHHHHHHHHHHHHHHHHHHH/rB:;s2;s3;;s3;s5s6;s2;s4s5;s4;s8s10;s2;s2;s5;s1s7;s5;s6;s6;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.8691066 0.4322162 0.3987115 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= 9045 NPrTT= 44932 LenC2= 8623 LenP2D= 29043. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 194 RedAO= T EigKep= 9.82D-04 NBF= 194 NBsUse= 194 1.00D-06 EigRej= -1.00D+00 NBFU= 194 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= 191 191 191 191 191 MxSgAt= 37 MxSgA2= 37. 1 Closed 1 0 1 -620.674019677764 -620.808085444523 -0.134065766759 -620.955624155618 -0.147538711095 -620.099702072984 0.855922082634 -620.940148644585 -0.840446571601 -621.045096836163 -0.104948191578 -621.045237617046 -0.000140780883 -621.045326437173 -0.000088820127 -621.045331359735 -0.000004922562 -621.045237222613 0.000094137122 -621.045237674721 -0.000000452108 -621.045237457662 0.000000217059 -621.045237883487 -0.000000425824 -621.045237895917 -0.000000012431 -621.045237896162 -0.000000000245 -621.045237896376 -0.000000000214 -621.045237896364 0.000000000012 -621.045237896 17 6.176796708341e+02 -3.578253849842e+03 1.271720682463e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=182739598. IVT= 134188 IEndB= 134188 NGot= 402653184 MDV= 223620927 LenX= 223620927 LenY= 223582850 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= 18915 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 37. Will process 38 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 402652616 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=182616119. 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= 18915 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 114 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 111 vectors produced by pass 0 Test12= 7.81D-15 1.00D-09 XBig12= 1.87D+02 7.23D+00. AX will form 111 AO Fock derivatives at one time. 111 vectors produced by pass 1 Test12= 7.81D-15 1.00D-09 XBig12= 5.02D+01 2.61D+00. 111 vectors produced by pass 2 Test12= 7.81D-15 1.00D-09 XBig12= 9.75D-02 3.19D-02. 111 vectors produced by pass 3 Test12= 7.81D-15 1.00D-09 XBig12= 2.50D-05 3.78D-04. 50 vectors produced by pass 4 Test12= 7.81D-15 1.00D-09 XBig12= 2.48D-09 3.27D-06. 3 vectors produced by pass 5 Test12= 7.81D-15 1.00D-09 XBig12= 1.30D-13 2.32D-08. 1 vectors produced by pass 6 Test12= 7.81D-15 1.00D-09 XBig12= 2.16D-16 1.16D-09. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 498 with 114 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 145.62 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 160.553 -2.892 145.845 1.060 -4.133 130.475 249.443 -6.127 260.839 14.276 -13.143 223.817 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2543.400S Sat Jan 6 04:07:21 2018 -18.76218 -9.98047 -9.91466 -9.91100 -9.90981 -9.90058 -9.90024 -9.89868 -9.89620 -9.89391 -9.89026 -9.88793 -9.88559 -9.88285 -9.88256 -0.95248 -0.78072 -0.74688 -0.71090 -0.68099 -0.67183 -0.62383 -0.61518 -0.60598 -0.57559 -0.54133 -0.52996 -0.51364 -0.47937 -0.43775 -0.43017 -0.41652 -0.40469 -0.40115 -0.39085 -0.38635 -0.38403 -0.37264 -0.36314 -0.35466 -0.34954 -0.34022 -0.33792 -0.32648 -0.32494 -0.32227 -0.31675 -0.30640 -0.30370 -0.29631 -0.29452 -0.27987 -0.27527 -0.25955 -0.24598 -0.20308 -0.19107 -0.07409 -0.00621 0.07022 0.07780 0.09150 0.09712 0.09889 0.10521 0.11002 0.11333 0.11885 0.12525 0.12864 0.13662 0.14015 0.14886 0.15127 0.15419 0.15887 0.16112 0.16742 0.16884 0.17288 0.17829 0.18324 0.19028 0.20110 0.20311 0.21093 0.21387 0.22161 0.22604 0.22908 0.23723 0.24237 0.24735 0.25703 0.26099 0.27623 0.27990 0.28806 0.29128 0.30286 0.32194 0.32676 0.33323 0.34367 0.34656 0.35625 0.36204 0.36787 0.37632 0.38359 0.39095 0.39511 0.40489 0.41582 0.41846 0.43409 0.43967 0.44692 0.47689 0.48249 0.49079 0.50282 0.50396 0.50669 0.51989 0.52849 0.53938 0.54844 0.56392 0.57296 0.59021 0.59743 0.63059 0.63894 0.64505 0.69562 0.74586 0.76208 0.76886 0.79633 0.82984 0.83771 0.84836 0.88135 0.90880 0.91284 0.93927 0.96019 0.96342 0.98010 0.99471 1.01273 1.04274 1.05662 1.06354 1.07964 1.09746 1.10952 1.11193 1.11792 1.12553 1.14030 1.15800 1.17126 1.18177 1.18553 1.21630 1.21711 1.25323 1.28033 1.29135 1.33021 1.33807 1.35059 1.42203 1.46012 1.48194 1.49846 1.70432 22.40175 22.48041 22.57077 22.59231 22.59514 22.62590 22.64732 22.66239 22.66411 22.68473 22.70029 22.70143 22.73399 22.81471 41.53741 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 O C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.189529 0.215582 0.187036 0.196072 -0.093444 -0.603251 -0.161966 -0.433281 -0.541947 -0.518613 -0.453671 -0.747296 -0.759120 -0.757120 -0.126478 0.240055 0.218351 0.242452 0.242739 0.198263 0.195781 0.212501 0.232628 0.216226 0.214898 0.205903 0.206484 0.208346 0.226701 0.215382 0.217749 0.223466 0.214407 0.218034 0.234566 0.218467 0.183625 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 O C C C C C C C C C C C C C C -0.189529 0.215582 0.187036 0.196072 0.146611 -0.142448 0.080773 -0.039237 -0.096817 -0.087489 -0.041284 -0.096867 -0.103498 -0.086052 0.057147 0.00000 1.09622020e+00 4.14106209e-01 7.34993976e-01 1.60553144e+02 -2.89190818e+00 1.45844600e+02 1.05986418e+00 -4.13333068e+00 1.30475420e+02 -25.0228 -17.2478 -0.0003 0.0005 0.0006 8.5613 16.9713 52.6731 62.2337 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -8.5684 52.1267 61.9199 106.6595 138.5747 179.2562 195.7475 217.9243 225.8096 249.8508 267.1427 271.2001 309.0045 321.8772 338.1276 350.2526 382.1037 385.2014 406.2709 430.9374 478.0928 480.1459 533.5117 564.9979 611.7948 624.0733 715.9122 780.6982 790.4085 826.6515 866.7776 882.0170 899.1127 910.3210 923.8777 925.3500 951.4157 969.9862 983.4605 989.0050 1018.3180 1028.0798 1049.3771 1063.9486 1068.8002 1090.1364 1125.4392 1128.5646 1148.6698 1158.4809 1174.9588 1182.3242 1197.7384 1205.9710 1222.5699 1247.2311 1266.7010 1274.4530 1283.7818 1327.1411 1333.8380 1335.3684 1339.5075 1342.6491 1348.4330 1367.3726 1370.0876 1380.6404 1382.4091 1391.2548 1453.1335 1454.8189 1458.1762 1463.5872 1464.9812 1471.4916 1475.7985 1479.3900 1481.8551 1489.5105 1490.1946 1632.8794 1676.6263 2856.3814 2936.9385 2942.3181 2962.0710 2965.3318 2970.3485 2974.8319 2975.6451 2980.0604 2983.5346 2993.1133 2995.0591 3000.2941 3003.4253 3025.3562 3043.9874 3061.6778 3067.2180 3067.8783 3074.0832 3076.1394 3079.4577 4.5030 3.7513 2.9482 3.2804 2.3861 1.3687 2.2394 1.2620 1.5446 2.4431 1.5067 1.4784 2.4842 2.2282 2.4988 2.2324 2.5431 2.2316 2.8773 3.0724 3.4875 2.7854 2.6198 3.5671 3.0409 3.4881 3.0179 3.2541 2.2741 1.6518 1.9129 2.1963 1.8555 2.0589 1.5489 1.9134 1.9136 1.8749 1.6261 1.4068 1.9781 1.6122 2.1225 1.9543 2.1853 1.6919 1.8001 2.3338 1.2297 1.5015 2.3627 2.3129 1.7173 2.0620 1.3528 1.5924 1.5182 1.3357 1.6729 1.6857 1.5248 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