Gaussian 09 GINC-KIMIK2035 CBGUSER 000288227 EM64L-G09RevD.01 14-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 180.16049999999996 0 1 AuxInfo=1/0/N:15,14,12,9,10,7,11,8,6,3,13,2,5,4,1/CRV:1.3,7.3,11.3,14.3/rA:39CCCC3CCCCCCC3CC3CC3HHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s3;s4;s2;s5s6;s1;s7;s4s10;s2;s5;s13;s13;s2;s3;s3;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s11;s12;s12;s12;s14;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-17602.inp" -scrdir="/scratch/" chk=000288227.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 000288227 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 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 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 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 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 1 1 1 1 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 12 12 12 13 13 14 14 14 15 15 2 3 4 9 7 12 16 5 17 18 6 11 8 13 19 8 20 21 10 22 23 24 25 26 27 28 11 29 30 31 32 33 34 14 15 35 36 37 38 39 1.5672 1.5521 1.5278 1.5403 1.5402 1.5318 1.12 1.5396 1.1057 1.1076 1.5086 1.3404 1.5405 1.5189 1.1194 1.5328 1.1103 1.1082 1.5336 1.1047 1.1065 1.1051 1.1073 1.095 1.0939 1.0958 1.4979 1.1107 1.1084 1.0889 1.0957 1.0955 1.0954 1.4985 1.3355 1.0976 1.0984 1.0984 1.0776 1.0785 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A76 A77 A78 2 2 2 3 3 4 1 1 1 7 7 12 1 1 1 5 5 17 1 1 6 3 3 3 8 8 13 4 4 4 8 8 20 2 2 2 10 10 22 5 5 5 6 6 24 1 1 1 26 26 27 7 7 7 11 11 29 4 4 10 2 2 2 32 32 33 5 5 14 13 13 13 35 35 36 13 13 38 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 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 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 3 4 9 4 9 9 7 12 16 12 16 16 5 17 18 17 18 18 6 11 11 8 13 19 13 19 19 8 20 21 20 21 21 10 22 23 22 23 23 6 24 25 24 25 25 26 27 28 27 28 28 11 29 30 29 30 30 10 31 31 32 33 34 33 34 34 14 15 15 35 36 37 36 37 37 38 39 39 107.5488 109.7146 111.1717 109.989 110.5125 107.9093 110.5922 113.1722 107.0121 110.2411 107.6897 107.8978 113.0447 109.6253 109.1861 109.5687 109.2697 105.8949 116.4475 123.394 120.0985 109.8699 110.5227 108.1202 110.9557 107.9959 109.2941 112.3261 108.6109 110.9413 110.0567 109.2677 105.4072 110.2822 110.2886 110.0033 110.1366 110.002 106.0465 110.4016 110.1696 110.1153 110.2634 109.7444 106.0586 111.4174 111.6112 110.8903 107.3889 107.5146 107.8226 112.3461 109.9952 109.7684 108.8588 109.8831 105.7747 124.3756 121.4004 114.222 111.5805 110.9763 111.9594 107.3083 107.4747 107.3018 114.9793 123.0775 121.9432 112.5572 111.1792 111.1687 107.083 107.0658 107.5219 123.675 123.5241 112.8008 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D116 D117 D118 D119 3 3 3 4 4 4 9 9 9 2 2 2 4 4 4 9 9 9 2 2 3 3 9 9 2 2 2 3 3 3 4 4 4 1 1 1 12 12 12 16 16 16 1 1 1 7 7 7 16 16 16 1 1 1 17 17 17 18 18 18 1 1 1 11 11 11 1 1 6 6 3 3 3 13 13 13 19 19 19 3 3 8 8 19 19 4 4 4 20 20 20 21 21 21 2 2 2 22 22 22 23 23 23 7 7 29 29 30 30 5 5 5 15 15 15 5 5 14 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 13 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 9 9 9 9 9 9 9 9 9 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 12 12 12 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 11 11 11 11 8 8 8 8 8 8 8 8 8 13 13 13 13 13 13 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 14 14 14 14 14 14 15 15 15 15 7 12 16 7 12 16 7 12 16 5 17 18 5 17 18 5 17 18 6 11 6 11 6 11 26 27 28 26 27 28 26 27 28 10 22 23 10 22 23 10 22 23 32 33 34 32 33 34 32 33 34 8 13 19 8 13 19 8 13 19 8 20 21 8 20 21 10 31 10 31 6 24 25 6 24 25 6 24 25 14 15 14 15 14 15 5 24 25 5 24 25 5 24 25 11 29 30 11 29 30 11 29 30 4 31 4 31 4 31 35 36 37 35 36 37 38 39 38 39 167.3749 -68.373 50.3479 47.76 172.0121 -69.267 -71.5208 52.7314 171.4523 -170.0145 67.4298 -48.1611 -50.5745 -173.1302 71.2789 68.4686 -54.0871 -169.678 164.984 -17.836 46.8737 -135.9463 -73.7513 103.4287 177.7298 -62.2247 58.0121 -62.9206 57.1248 177.3617 57.3759 177.4214 -62.3418 -62.6843 175.4513 58.823 171.4021 49.5377 -67.0906 53.9239 -67.9406 175.4311 52.5125 172.1356 -67.9958 176.9558 -63.4211 56.4475 -65.6947 53.9284 173.797 57.6736 -179.5513 -59.9662 -179.7392 -56.9641 62.621 -64.1329 58.6422 178.2273 -49.8101 72.1608 -172.433 132.9112 -105.1179 10.2883 0.9197 -179.6211 178.0012 -2.5396 -58.1107 179.8651 63.226 179.3702 57.346 -59.2931 59.6064 -62.4178 -179.0569 116.5439 -63.3795 -121.3165 58.7602 -2.3308 177.7459 54.0534 176.0222 -67.5033 -67.0916 54.8773 171.3517 177.6163 -60.4149 56.0596 44.2598 -77.1715 166.8402 166.2142 44.7828 -71.2055 -77.2482 161.3204 45.3321 -14.201 166.3052 107.878 -71.6159 -136.7165 43.7896 -179.0159 -58.8784 60.8761 0.9084 121.0459 -119.1996 179.986 0.0029 0.0679 -179.9152 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 234 234 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 39 39 39 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= 9591 NPrTT= 47358 LenC2= 9087 LenP2D= 30401. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 198 RedAO= T EigKep= 8.60D-04 NBF= 198 NBsUse= 198 1.00D-06 EigRej= -1.00D+00 NBFU= 198 Using GEDIIS/GDIIS optimizer. local minimum Step number 21 out of a maximum of 234 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00107 0.00215 0.00269 0.00308 0.00477 0.00544 0.00562 0.00630 0.00991 0.01265 0.01632 0.01722 0.02324 0.02628 0.02895 0.02961 0.03072 0.03136 0.03727 0.03915 0.04194 0.04553 0.04681 0.04840 0.04915 0.05006 0.05297 0.05322 0.05387 0.05455 0.05500 0.05595 0.05740 0.05861 0.06045 0.06451 0.07042 0.07260 0.07633 0.07936 0.08034 0.08192 0.08556 0.08730 0.09054 0.09272 0.09325 0.10900 0.11336 0.12848 0.13510 0.14282 0.15331 0.15896 0.15970 0.15981 0.15986 0.15998 0.16008 0.16024 0.16041 0.16179 0.16223 0.16352 0.16863 0.17972 0.18943 0.20078 0.22181 0.24899 0.26301 0.26593 0.27105 0.27673 0.27869 0.28451 0.28820 0.28890 0.29442 0.29507 0.30717 0.31077 0.31482 0.31637 0.31858 0.32396 0.32531 0.32632 0.32760 0.32790 0.32889 0.32990 0.33094 0.33157 0.33194 0.33205 0.33496 0.33858 0.33936 0.34120 0.34160 0.34185 0.34231 0.34247 0.34395 0.34823 0.35034 0.36172 0.36247 0.54941 0.58375 RFO step: Lambda=-4.13280830D-07. 1 2 0.00104295 0.00000097 0.00000089 0.00000034 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 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 A76 A77 A78 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 D116 D117 D118 D119 2.97798 2.96440 2.91712 2.94761 2.92822 2.92232 2.10248 2.94604 2.09118 2.09689 2.88122 2.57413 2.92021 2.89540 2.10344 2.92755 2.09983 2.09082 2.91431 2.09332 2.09450 2.09217 2.09492 2.08617 2.08936 2.08755 2.86419 2.10083 2.09556 2.08040 2.08827 2.09040 2.08980 2.87555 2.57145 2.08510 2.09276 2.09426 2.07258 2.06911 1.88953 1.92015 1.93645 1.89156 1.91421 1.91128 1.94314 1.99240 1.85091 1.92634 1.86454 1.87932 2.00286 1.89722 1.89813 1.91737 1.87638 1.86711 2.02937 2.15014 2.10364 1.89991 1.93648 1.87876 2.00446 1.87741 1.86170 1.96099 1.92046 1.91273 1.88882 1.92181 1.85599 1.93927 1.91287 1.91237 1.92456 1.91283 1.86027 1.93034 1.92364 1.91205 1.92342 1.90002 1.87331 1.95034 1.93699 1.93749 1.87653 1.86973 1.88979 1.94277 1.91926 1.92782 1.91225 1.91488 1.84432 2.17874 2.06779 2.03666 1.96503 1.91876 1.94466 1.87446 1.88407 1.87317 2.01768 2.15515 2.11035 1.94808 1.94890 1.93272 1.88261 1.88701 1.86101 2.11553 2.13731 2.03032 2.84678 -1.24106 0.82505 0.78264 2.97799 -1.23908 -1.33506 0.86029 2.92640 -2.97602 1.15280 -0.87416 -0.89377 -3.04813 1.20809 1.19200 -0.96236 -2.98932 2.89344 -0.23853 0.83056 -2.30142 -1.25706 1.89415 2.99640 -1.19235 0.91025 -1.20015 0.89429 2.99689 0.87349 2.96793 -1.21266 -1.09093 3.06089 1.02538 2.96078 0.82941 -1.20611 0.92240 -1.20897 3.03870 0.91030 2.99940 -1.20940 3.11444 -1.07964 0.99475 -1.13956 0.94954 3.02393 1.00794 -3.05313 -1.02218 -3.13169 -0.90957 1.12138 -1.10588 1.11624 -3.13600 -0.89664 1.20917 -3.03909 2.23561 -1.94177 0.09316 -0.03876 3.10645 3.11284 -0.02513 -1.00099 -3.13227 1.09344 3.09933 0.96805 -1.08943 1.02999 -1.10129 3.12442 1.28770 -1.85706 -2.83187 0.30655 -0.75374 2.38469 0.96030 3.09171 -1.14132 -1.16365 0.96776 3.01791 3.09762 -1.05415 0.99600 0.78137 -1.34115 2.91313 2.90593 0.78341 -1.24550 -1.33466 2.82600 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0.00044 0.00052 0.00060 0.00046 0.00040 0.00048 0.00035 -0.00049 -0.00044 -0.00061 -0.00056 -0.00051 -0.00046 -0.00306 -0.00326 -0.00307 -0.00305 -0.00325 -0.00306 -0.00028 -0.00060 -0.00028 -0.00061 2.97805 2.96435 2.91733 2.94739 2.92819 2.92207 2.10252 2.94699 2.09107 2.09683 2.88126 2.57407 2.91948 2.89557 2.10335 2.92767 2.09971 2.09080 2.91414 2.09332 2.09446 2.09224 2.09482 2.08615 2.08934 2.08747 2.86420 2.10081 2.09551 2.08033 2.08816 2.09039 2.08970 2.87543 2.57137 2.08505 2.09265 2.09412 2.07249 2.06897 1.88973 1.92004 1.93704 1.89143 1.91383 1.91109 1.94324 1.99240 1.85084 1.92657 1.86435 1.87920 2.00281 1.89723 1.89870 1.91705 1.87573 1.86758 2.02944 2.15018 2.10352 1.89972 1.93541 1.87857 2.00531 1.87758 1.86213 1.96072 1.92046 1.91275 1.88896 1.92180 1.85613 1.93915 1.91297 1.91249 1.92452 1.91285 1.86019 1.93022 1.92388 1.91240 1.92343 1.89967 1.87319 1.95015 1.93719 1.93770 1.87621 1.86975 1.88986 1.94273 1.91919 1.92789 1.91225 1.91483 1.84444 2.17871 2.06776 2.03671 1.96481 1.91890 1.94476 1.87445 1.88423 1.87299 2.01762 2.15508 2.11048 1.94805 1.94884 1.93261 1.88251 1.88709 1.86125 2.11565 2.13727 2.03024 2.84639 -1.24104 0.82488 0.78235 2.97811 -1.23916 -1.33543 0.86033 2.92624 -2.97563 1.15363 -0.87422 -0.89346 -3.04739 1.20795 1.19178 -0.96215 -2.99000 2.89353 -0.23815 0.83053 -2.30114 -1.25643 1.89508 2.99635 -1.19280 0.91016 -1.19982 0.89422 2.99718 0.87332 2.96735 -1.21287 -1.09111 3.06076 1.02522 2.96033 0.82901 -1.20653 0.92208 -1.20924 3.03841 0.91255 3.00159 -1.20728 3.11703 -1.07711 0.99720 -1.13715 0.95190 3.02621 1.00814 -3.05274 -1.02197 -3.13173 -0.90943 1.12134 -1.10590 1.11641 -3.13601 -0.89704 1.20876 -3.03931 2.23491 -1.94247 0.09265 -0.03873 3.10643 3.11319 -0.02483 -1.00169 -3.13306 1.09244 3.09958 0.96821 -1.08948 1.02906 -1.10231 3.12319 1.28811 -1.85666 -2.83194 0.30648 -0.75279 2.38563 0.96118 3.09282 -1.14057 -1.16268 0.96895 3.01875 3.09834 -1.05321 0.99659 0.78186 -1.34058 2.91356 2.90645 0.78401 -1.24503 -1.33426 2.82648 0.79744 -0.23546 2.90262 1.89101 -1.25409 -2.37470 0.76338 3.14015 -1.03436 1.03684 0.00164 2.11031 -2.10166 3.13487 -0.01414 -0.01006 3.12412 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000155 0.000027 0.005762 0.001043 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -6.546562e-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 R35 R36 R37 R38 R39 R40 1 1 1 1 2 2 2 3 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 12 12 12 13 13 14 14 14 15 15 2 3 4 9 7 12 16 5 17 18 6 11 8 13 19 8 20 21 10 22 23 24 25 26 27 28 11 29 30 31 32 33 34 14 15 35 36 37 38 39 1.5759 1.5687 1.5437 1.5598 1.5495 1.5464 1.1126 1.559 1.1066 1.1096 1.5247 1.3622 1.5453 1.5322 1.1131 1.5492 1.1112 1.1064 1.5422 1.1077 1.1084 1.1071 1.1086 1.104 1.1056 1.1047 1.5157 1.1117 1.1089 1.1009 1.1051 1.1062 1.1059 1.5217 1.3608 1.1034 1.1074 1.1082 1.0968 1.0949 -DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001 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 A76 A77 A78 2 2 2 3 3 4 1 1 1 7 7 12 1 1 1 5 5 17 1 1 6 3 3 3 8 8 13 4 4 4 8 8 20 2 2 2 10 10 22 5 5 5 6 6 24 1 1 1 26 26 27 7 7 7 11 11 29 4 4 10 2 2 2 32 32 33 5 5 14 13 13 13 35 35 36 13 13 38 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 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 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 3 4 9 4 9 9 7 12 16 12 16 16 5 17 18 17 18 18 6 11 11 8 13 19 13 19 19 8 20 21 20 21 21 10 22 23 22 23 23 6 24 25 24 25 25 26 27 28 27 28 28 11 29 30 29 30 30 10 31 31 32 33 34 33 34 34 14 15 15 35 36 37 36 37 37 38 39 39 108.2624 110.0165 110.9503 108.3782 109.6763 109.5083 111.3337 114.1559 106.0491 110.3711 106.8304 107.6771 114.7555 108.7026 108.7549 109.8569 107.5089 106.9776 116.2745 123.1938 120.5294 108.8569 110.952 107.6452 114.8469 107.5679 106.6675 112.3563 110.0344 109.5913 108.2213 110.1117 106.3402 111.1118 109.5992 109.5709 110.269 109.5973 106.5858 110.6002 110.2166 109.5525 110.2038 108.8634 107.3329 111.7465 110.9815 111.01 107.5171 107.1274 108.2772 111.3127 109.9656 110.456 109.5638 109.7148 105.672 124.8324 118.4755 116.6918 112.5878 109.9368 111.4209 107.3987 107.9491 107.3247 115.6047 123.4809 120.9141 111.6166 111.6638 110.7369 107.8657 108.1175 106.6281 121.2111 122.4591 116.3287 -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 = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 D116 D117 D118 3 3 3 4 4 4 9 9 9 2 2 2 4 4 4 9 9 9 2 2 3 3 9 9 2 2 2 3 3 3 4 4 4 1 1 1 12 12 12 16 16 16 1 1 1 7 7 7 16 16 16 1 1 1 17 17 17 18 18 18 1 1 1 11 11 11 1 1 6 6 3 3 3 13 13 13 19 19 19 3 3 8 8 19 19 4 4 4 20 20 20 21 21 21 2 2 2 22 22 22 23 23 23 7 7 29 29 30 30 5 5 5 15 15 15 5 5 14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 9 9 9 9 9 9 9 9 9 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 12 12 12 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 11 11 11 11 8 8 8 8 8 8 8 8 8 13 13 13 13 13 13 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 14 14 14 14 14 14 15 15 15 7 12 16 7 12 16 7 12 16 5 17 18 5 17 18 5 17 18 6 11 6 11 6 11 26 27 28 26 27 28 26 27 28 10 22 23 10 22 23 10 22 23 32 33 34 32 33 34 32 33 34 8 13 19 8 13 19 8 13 19 8 20 21 8 20 21 10 31 10 31 6 24 25 6 24 25 6 24 25 14 15 14 15 14 15 5 24 25 5 24 25 5 24 25 11 29 30 11 29 30 11 29 30 4 31 4 31 4 31 35 36 37 35 36 37 38 39 38 163.1083 -71.1075 47.2721 44.842 170.6263 -70.9941 -76.4936 49.2907 167.6703 -170.5137 66.0505 -50.0859 -51.2091 -174.645 69.2186 68.2968 -55.1391 -171.2755 165.7822 -13.6669 47.5873 -131.8617 -72.024 108.527 171.6811 -68.3166 52.1536 -68.7633 51.2389 171.7092 50.0474 170.0496 -69.4801 -62.5055 175.3761 58.7497 169.64 47.5215 -69.1048 52.8494 -69.269 174.1046 52.1563 171.8527 -69.2934 178.4445 -61.8591 56.9948 -65.2917 54.4047 173.2586 57.7505 -174.9313 -58.5666 -179.4324 -52.1142 64.2504 -63.3624 63.9557 -179.6796 -51.3738 69.2801 -174.1271 128.091 -111.2552 5.3377 -2.221 177.9865 178.3526 -1.4399 -57.3525 -179.4658 62.6493 177.5784 55.4651 -62.4198 59.0142 -63.0991 179.016 73.7796 -106.4018 -162.2544 17.5642 -43.1861 136.6325 55.0212 177.1419 -65.393 -66.6722 55.4486 172.9136 177.4808 -60.3984 57.0666 44.7692 -76.8422 166.9098 166.4978 44.8863 -71.3617 -76.4704 161.9181 45.6701 -13.4628 166.333 108.3821 -71.822 -136.0312 43.7647 180.0927 -59.0782 59.5827 0.2691 121.0982 -120.2409 179.6307 -0.7756 -0.56 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-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 = 0.0001|-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 = 0.0001|-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 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 0 0 180.16049999999996 AuxInfo=1/0/N:15,14,12,9,10,7,11,8,6,3,13,2,5,4,1/CRV:1.3,7.3,11.3,14.3/rA:39CCCC3CCCCCCC3CC3CC3HHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s3;s4;s2;s5s6;s1;s7;s4s10;s2;s5;s13;s13;s2;s3;s3;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s11;s12;s12;s12;s14;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.567174 0.000000 1.552129 2.516346 0.000000 1.527807 2.530932 2.522805 0.000000 2.578844 3.913148 1.539625 2.941383 0.000000 2.581345 3.910842 2.951769 1.508648 2.523676 0.000000 2.554652 1.540222 3.882465 2.871617 5.096156 4.368701 0.000000 3.009814 4.349419 2.521061 2.526373 1.540474 1.532838 5.225385 0.000000 1.540296 2.563626 2.541083 2.480731 3.138276 3.164141 3.151557 3.763433 0.000000 3.027366 2.522258 4.311599 2.511492 5.256038 3.888033 1.533591 4.928501 3.861247 0.000000 2.526914 2.844878 3.680340 1.340435 4.242350 2.470030 2.518372 3.637255 3.415535 1.497857 0.000000 2.586796 1.531759 3.097659 3.908164 4.569727 5.156574 2.520126 5.398004 3.004774 3.871983 4.342547 0.000000 3.912501 5.021265 2.513414 4.363542 1.518918 3.873729 6.359279 2.520684 4.492757 6.564009 5.605261 5.447942 0.000000 4.891545 6.065649 3.594251 5.475314 2.544580 4.876918 7.403604 3.640081 5.061658 7.750358 6.786021 6.254843 1.498482 0.000000 4.567305 5.417302 3.107359 4.910364 2.510918 4.518666 6.784816 3.079741 5.453619 6.881088 5.995349 5.887461 1.335460 2.479202 0.000000 2.176596 1.120021 2.626292 2.816786 4.031572 4.114583 2.162199 4.334582 3.501540 2.686760 3.002556 2.157593 4.944408 6.158979 5.060220 0.000000 2.187328 2.804227 1.105670 3.478046 2.175613 3.960328 4.272613 3.482101 2.733272 5.011986 4.591831 2.791473 2.731052 3.477268 3.378006 3.031503 0.000000 2.183078 2.635799 1.107600 2.852605 2.173192 3.367297 4.020507 2.787311 3.489432 4.295297 3.772097 3.317080 2.740605 4.055438 2.823546 2.258643 1.766374 0.000000 2.806701 4.270748 2.166938 3.253929 1.119429 2.740337 5.335948 2.166037 2.768038 5.611120 4.591421 4.784433 2.164223 2.540050 3.403445 4.649917 2.509360 3.086444 0.000000 2.926708 4.374667 3.419079 2.139620 2.829433 1.110313 4.742193 2.179390 2.931430 4.423085 3.084787 5.462732 4.213936 4.917812 5.101427 4.811566 4.256272 4.095021 2.583275 0.000000 3.526007 4.671839 3.944391 2.167798 3.482726 1.108237 4.900894 2.167693 4.157648 4.084239 2.587439 6.037981 4.680723 5.721539 5.155346 4.753303 4.997765 4.172033 3.760175 1.764882 0.000000 3.518410 2.184602 4.690111 3.926667 6.022443 5.433615 1.104659 6.216506 4.097719 2.176830 3.457294 2.687852 7.186710 8.242194 7.510837 2.550601 4.943919 4.691013 6.310227 5.844418 5.928038 0.000000 2.784712 2.182373 4.254480 3.152084 5.335538 4.528724 1.106548 5.530117 2.798100 2.176528 2.919373 2.824760 6.688447 7.570827 7.299561 3.087914 4.552897 4.645392 5.344062 4.641603 5.109165 1.766489 0.000000 4.024521 5.427155 3.486209 3.478837 2.183621 2.178100 6.261784 1.105079 4.550444 5.902742 4.526792 6.430087 2.752302 3.569402 3.341964 5.439191 4.330523 3.790117 2.515493 2.488293 2.510466 7.278177 6.489689 0.000000 3.401899 4.454961 2.792351 2.840974 2.184574 2.173113 5.350620 1.107278 4.479890 4.914512 3.709892 5.577006 2.767791 4.116655 2.814889 4.158734 3.795419 2.600885 3.093228 3.091386 2.475446 6.245411 5.855811 1.767548 0.000000 2.191640 3.525999 2.823764 2.713411 2.838915 2.835626 4.106500 3.383167 1.094992 4.562703 3.799870 4.036116 4.199668 4.590349 5.312400 4.343020 3.105399 3.863163 2.161685 2.291283 3.836337 5.112224 3.730951 3.951954 4.297601 0.000000 2.193244 2.842685 2.779951 3.453179 3.510627 4.132260 3.616765 4.472939 1.093915 4.621798 4.379736 2.688965 4.628489 4.999387 5.612017 3.800933 2.514832 3.745423 3.076829 3.898995 5.173645 4.375885 3.241457 5.237043 5.163583 1.763977 0.000000 2.185660 2.798920 3.501459 2.746632 4.133742 3.593870 2.812846 4.518232 1.095832 3.520896 3.295593 3.292661 5.544400 6.130891 6.470213 3.840156 3.741419 4.332925 3.758337 3.278501 4.418047 3.732977 2.129608 5.290221 5.204090 1.766943 1.769548 0.000000 3.642801 2.914820 4.667293 3.142298 5.673657 4.447669 2.179531 5.286797 4.726675 1.110671 2.133696 4.223651 6.833596 8.133532 6.938166 2.644001 5.381543 4.380772 6.206793 5.166363 4.537831 2.426777 3.078866 6.283027 5.037218 5.444153 5.417478 4.523797 0.000000 3.931129 3.474989 5.316263 3.303820 6.174406 4.541268 2.174959 5.758269 4.484846 1.108449 2.145129 4.685549 7.544346 8.681315 7.919383 3.752279 5.998009 5.378129 6.420063 4.927059 4.589326 2.589435 2.423760 6.655695 5.809400 5.132194 5.268821 3.903032 1.769639 0.000000 3.523802 3.922722 4.545838 2.122131 4.859832 2.691156 3.481988 3.940555 4.322657 2.183489 1.088906 5.427844 6.181492 7.375598 6.513064 3.974304 5.530669 4.579575 5.212176 3.301237 2.337038 4.330411 3.822397 4.658675 3.938513 4.528897 5.345091 4.148086 2.595982 2.442946 0.000000 2.799441 2.186620 2.731491 4.250707 4.163748 5.288161 3.486557 5.223999 3.239674 4.696594 4.927751 1.095653 4.788335 5.499458 5.198414 2.544354 2.103685 2.943007 4.417512 5.603496 6.247608 3.730668 3.806276 6.204062 5.394978 4.115618 2.734395 3.822550 4.984772 5.600491 6.000441 0.000000 3.535072 2.178979 4.009194 4.705892 5.528649 6.042655 2.801400 6.290370 4.053203 4.156977 4.914444 1.095538 6.315749 7.175282 6.597485 2.458245 3.707196 4.001190 5.832649 6.431715 6.843891 2.519166 3.252697 7.353506 6.337868 5.106094 3.746440 4.206505 4.302504 4.906441 5.965862 1.764904 0.000000 2.924826 2.191110 3.646821 4.250309 4.963490 5.448555 2.760334 5.839706 2.759152 4.226253 4.697541 1.095366 5.936745 6.558664 6.564631 3.089452 3.261279 4.120707 4.933194 5.542236 6.365027 2.958836 2.620307 6.808476 6.194094 3.799808 2.242968 2.846642 4.786646 4.861306 5.772345 1.766649 1.764599 0.000000 5.848092 6.916420 4.449199 6.441463 3.503218 5.841808 8.314326 4.497730 6.101837 8.664116 7.724685 7.027219 2.170737 1.097620 2.628873 6.903614 4.255061 4.731606 3.627665 5.952597 6.624203 9.100617 8.544941 4.352854 4.800063 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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 38 H 1S 2S 39 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 1 C 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|38 H 1S|2S|39 H 1S|2S 1.17432 0.81378 0.71756 0.58778 0.86941 0.86503 0.85639 -0.01567 -0.04347 -0.10023 1.17433 0.81406 0.72087 0.57399 0.86348 0.86018 0.88847 0.01194 0.00908 0.12866 1.17430 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AuxInfo=1/0/N:15,14,12,9,10,7,11,8,6,3,13,2,5,4,1/CRV:1.3,7.3,11.3,14.3/rA:39CCCC3CCCCCCC3CC3CC3HHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s3;s4;s2;s5s6;s1;s7;s4s10;s2;s5;s13;s13;s2;s3;s3;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s11;s12;s12;s12;s14;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.575882 0.000000 1.568694 2.548243 0.000000 1.543674 2.555716 2.524025 0.000000 2.634264 3.974437 1.558976 2.980963 0.000000 2.606017 3.948778 2.949796 1.524678 2.544129 0.000000 2.580933 1.549546 3.916678 2.887285 5.164944 4.401815 0.000000 3.052465 4.401649 2.525006 2.553723 1.545308 1.549193 5.268144 0.000000 1.559807 2.583448 2.557644 2.534579 3.188723 3.208570 3.240170 3.814357 0.000000 3.073768 2.549690 4.333214 2.551717 5.319271 3.943774 1.542187 4.970181 3.989932 0.000000 2.557505 2.866013 3.678471 1.362171 4.282491 2.508022 2.524819 3.657415 3.524765 1.515666 0.000000 2.620947 1.546425 3.184411 3.952833 4.672969 5.216462 2.541810 5.485688 3.014115 3.906658 4.381319 0.000000 3.971863 5.089859 2.546813 4.435835 1.532178 3.942155 6.436211 2.593324 4.513053 6.645196 5.674519 5.544181 0.000000 4.621928 5.619514 3.230164 5.441578 2.584224 5.106006 7.057977 3.946564 4.811262 7.550557 6.732694 5.670413 1.521677 0.000000 4.937811 5.960658 3.522548 5.131664 2.549419 4.498841 7.260820 2.969433 5.695658 7.259678 6.230040 6.547065 1.360751 2.508929 0.000000 2.165801 1.112586 2.615674 2.837943 4.056453 4.149529 2.153434 4.369742 3.502541 2.691559 3.007593 2.161983 4.990092 5.660270 5.648860 0.000000 2.190579 2.812180 1.106602 3.480164 2.197034 3.964634 4.304363 3.491650 2.737189 5.030340 4.592800 2.863080 2.732327 2.862872 3.854035 2.983084 0.000000 2.193489 2.679307 1.109629 2.824239 2.168541 3.335143 4.033999 2.755659 3.509642 4.268157 3.715221 3.435979 2.791878 3.669840 3.388280 2.266656 1.781275 0.000000 2.845621 4.316544 2.172875 3.282101 1.113093 2.744395 5.408532 2.159933 2.809334 5.687670 4.642645 4.869108 2.136551 2.679842 3.309944 4.657077 2.532260 3.076321 0.000000 2.946970 4.412493 3.400923 2.172597 2.820025 1.111182 4.807529 2.170545 2.971461 4.531097 3.178149 5.512424 4.227581 5.179846 4.958412 4.840079 4.246033 4.054609 2.559581 0.000000 3.538967 4.697422 3.941531 2.163349 3.505991 1.106414 4.904361 2.191553 4.192916 4.108307 2.592984 6.084286 4.771110 6.046896 5.093259 4.789400 4.999680 4.136532 3.766547 1.775007 0.000000 3.538308 2.186261 4.718582 3.949693 6.084458 5.473010 1.107740 6.260110 4.168008 2.188393 3.472995 2.682571 7.253767 7.797746 8.050073 2.543335 4.962585 4.708370 6.374527 5.912133 5.944054 0.000000 2.806322 2.186357 4.302548 3.141596 5.415345 4.537461 1.108359 5.566378 2.898640 2.180235 2.910246 2.856508 6.772784 7.287163 7.722468 3.077019 4.616684 4.670639 5.433407 4.689519 5.076078 1.776650 0.000000 4.070300 5.481625 3.497814 3.507412 2.190012 2.193269 6.308460 1.107130 4.605369 5.948727 4.552225 6.521790 2.826373 4.145528 2.969664 5.476352 4.351737 3.766305 2.516531 2.478608 2.537286 7.325489 6.530694 0.000000 3.417291 4.480004 2.776507 2.836338 2.182563 2.177032 5.347458 1.108582 4.509664 4.896391 3.672665 5.643497 2.869447 4.347110 2.845766 4.173322 3.782622 2.543245 3.083345 3.081775 2.495999 6.245517 5.845915 1.784936 0.000000 2.219839 3.551929 2.893279 2.724754 2.944852 2.843667 4.152650 3.447215 1.103955 4.635457 3.852256 4.085738 4.290580 4.630932 5.465486 4.357810 3.194364 3.919209 2.274377 2.276878 3.823632 5.152241 3.769147 4.021848 4.344262 0.000000 2.211443 2.907774 2.740052 3.499823 3.466012 4.135154 3.793288 4.448488 1.105643 4.801373 4.503918 2.758722 4.521662 4.471858 5.804924 3.812604 2.455432 3.730218 3.019761 3.891351 5.178030 4.540433 3.472295 5.208748 5.126249 1.782113 0.000000 2.211082 2.777426 3.525687 2.869906 4.224456 3.731058 2.888671 4.640737 1.104683 3.704077 3.492200 3.193893 5.597702 5.910619 6.745968 3.827337 3.723807 4.358995 3.842966 3.434696 4.551980 3.771016 2.207618 5.424734 5.297196 1.776888 1.791329 0.000000 3.680600 2.940021 4.667941 3.192741 5.714984 4.512982 2.187479 5.322244 4.834612 1.111709 2.159072 4.246991 6.896134 7.867065 7.352761 2.653205 5.367380 4.333384 6.259137 5.273847 4.589490 2.438963 3.084912 6.322096 5.015409 5.510968 5.561333 4.680571 0.000000 3.983120 3.504906 5.346088 3.337240 6.245565 4.592413 2.191670 5.797441 4.637636 1.108923 2.158917 4.725077 7.631635 8.535635 8.256849 3.758912 6.033008 5.352538 6.513199 5.048629 4.597964 2.611796 2.439356 6.699768 5.782422 5.215005 5.492079 4.125639 1.769644 0.000000 3.545223 3.957368 4.515424 2.120726 4.852931 2.684062 3.519424 3.903333 4.427721 2.237916 1.100901 5.480021 6.209734 7.396861 6.606129 3.995095 5.509926 4.487866 5.222367 3.368191 2.292139 4.385935 3.840518 4.621885 3.842686 4.561988 5.461139 4.371340 2.664194 2.501771 0.000000 2.854930 2.219319 2.852900 4.325323 4.292650 5.379093 3.523606 5.346357 3.237210 4.751739 4.993005 1.105067 4.904357 4.838072 5.925813 2.567240 2.202063 3.117284 4.516075 5.668186 6.333095 3.735472 3.853354 6.330776 5.506924 4.186457 2.724927 3.718977 5.024658 5.659188 6.071975 0.000000 3.564613 2.186710 4.087997 4.739904 5.626509 6.095679 2.798762 6.369490 4.076004 4.156792 4.928738 1.106194 6.414076 6.544828 7.316764 2.456837 3.775104 4.111085 5.917354 6.481604 6.880604 2.484714 3.269049 7.437626 6.391692 5.160612 3.842087 4.123313 4.288477 4.908990 5.999187 1.782103 0.000000 2.969106 2.205346 3.760048 4.291957 5.095931 5.507925 2.781982 5.940530 2.781192 4.264233 4.739283 1.105877 6.057768 6.052156 7.182623 3.096242 3.384737 4.253175 5.054407 5.596086 6.401472 2.951066 2.653335 6.915515 6.270297 3.855831 2.388354 2.710034 4.814095 4.904895 5.828155 1.788113 1.781910 0.000000 5.650832 6.563897 4.188850 6.433507 3.536342 6.045066 8.038108 4.756971 5.906756 8.508063 7.694597 6.557261 2.184040 1.103386 2.631070 6.498083 3.799373 4.445872 3.719357 6.166474 6.920724 8.731472 8.324627 4.834519 5.020274 5.729989 5.532309 7.005139 8.744283 9.520370 8.323281 5.651116 7.354681 6.993799 0.000000 4.288268 5.048547 2.948781 5.367880 2.868571 5.342672 6.540397 4.368741 4.463007 7.221279 6.607095 4.856203 2.187719 1.107441 3.252409 5.122093 2.240998 3.401419 2.983334 5.452204 6.355172 7.176008 6.780604 4.800494 4.718310 4.518082 3.942098 5.526325 7.523943 8.222631 7.398963 3.930925 5.677879 5.241388 1.787074 0.000000 4.851741 6.000751 3.689721 5.642746 2.858351 5.179607 7.348003 4.178510 4.702752 7.873110 6.989466 6.028697 2.176672 1.108234 3.237986 6.222500 3.337310 4.363366 2.504447 5.014785 6.140283 8.152088 7.415608 4.227365 4.812582 4.331845 4.333065 5.767867 8.325295 8.783761 7.631461 5.263792 6.990816 6.223344 1.790572 1.776799 0.000000 5.921515 6.862207 4.436820 6.207436 3.550678 5.591472 8.222988 4.058290 6.633336 8.278264 7.297887 7.309839 2.145051 2.735667 1.096760 6.507051 4.585890 4.257557 4.207702 6.014058 6.169100 8.959773 8.704376 3.961173 3.897510 6.413183 6.626609 7.707158 8.321489 9.296463 7.680800 6.582043 8.031692 7.962406 2.388684 3.516058 3.507112 0.000000 5.008205 6.020109 3.768038 4.887766 2.816023 4.157244 7.180330 2.642849 5.931914 6.949965 5.841848 6.831607 2.156337 3.524708 1.094928 5.615716 4.355130 3.466308 3.692270 4.771501 4.541294 7.989992 7.703028 2.584091 2.224456 5.691085 6.226342 6.908861 6.970466 7.909479 6.063143 6.352103 7.562100 7.516867 3.725660 4.202472 4.180345 1.861980 0.000000 1.0016024 0.4013512 0.3321019 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= 196 197 197 197 197 MxSgAt= 39 MxSgA2= 39. 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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 39 39 39 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= 9591 NPrTT= 47358 LenC2= 9069 LenP2D= 30277. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 198 RedAO= T EigKep= 9.04D-04 NBF= 198 NBsUse= 198 1.00D-06 EigRej= -1.00D+00 NBFU= 198 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= 196 196 196 196 196 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 0 1 -584.728619814778 -584.854753989361 -0.126134174584 -585.120840506707 -0.266086517346 -585.119895547587 0.000944959120 -585.129153004050 -0.009257456463 -585.130015470073 -0.000862466022 -585.130030901333 -0.000015431261 -585.130033587041 -0.000002685708 -585.130166636224 -0.000133049183 -585.130166874811 -0.000000238587 -585.130166874800 0.000000000010 -585.130166954405 -0.000000079605 -585.130166964175 -0.000000009770 -585.130166964314 -0.000000000140 -585.130166964347 -0.000000000033 -585.130166964383 -0.000000000035 -585.130166964 16 5.824372019232e+02 -3.486669213077e+03 1.254111079936e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=198153367. IVT= 138616 IEndB= 138616 NGot= 939524096 MDV= 745310930 LenX= 745310930 LenY= 745271285 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= 19701 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 6.78201823e-02 -6.20376788e-02 2.04658883e-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 38 39 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.004801887 -0.003990052 -0.007583851 0.002901641 -0.000051952 -0.000963928 0.001451001 -0.000625930 0.001333763 -0.012640438 0.001293631 0.003101803 -0.002355930 0.000246853 -0.000883122 -0.000408155 0.009891331 0.003457887 0.002157390 -0.000184251 -0.002415763 -0.002130093 0.003756630 0.002027548 -0.000084561 -0.001247928 0.003294933 0.011096850 -0.001726923 -0.002608791 0.015876391 0.002514890 -0.006528466 -0.002873989 -0.002178269 -0.001549879 0.001061326 -0.001803652 0.020189299 -0.009184021 -0.003854521 0.000632737 -0.002283025 0.001126195 -0.019224738 0.000840265 0.000486919 0.004773952 -0.000958933 -0.000497762 0.001307331 -0.000422041 0.001840407 -0.000237232 -0.001993224 0.000741635 -0.006407407 -0.003745635 -0.000356277 0.000904610 0.002478906 -0.001294826 -0.000125477 0.000933222 -0.001486498 -0.001317970 -0.000459025 0.000104310 0.000685170 -0.001563525 0.000548943 0.001181292 0.000764747 -0.001766275 -0.000243205 -0.002752298 0.003104186 0.003745118 -0.002492509 -0.007035034 0.001356287 0.004232817 0.001632184 0.002601165 0.001414895 -0.000406509 -0.000868913 0.000641710 0.001080223 -0.000723569 -0.004272301 0.008170176 0.000530371 -0.004789601 -0.003792603 -0.001060789 0.004475104 -0.002526232 -0.004328843 0.002833456 -0.000812692 0.005929395 -0.003822902 -0.001233075 -0.003006646 0.003182306 -0.003572667 0.004518379 0.000198336 0.003942574 0.005317633 -0.013293338 -0.005216342 -0.000436120 0.011183289 0.005179181 -0.006373962 0.020189299 0.004835011 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -585.137527512858 -585.137626247652 -0.000098734795 -585.137905684024 -0.000279436372 -585.137905103688 0.000000580336 -585.137906203278 -0.000001099590 -585.137906323566 -0.000000120288 -585.137906351833 -0.000000028266 -585.137906351979 -0.000000000146 -585.137906352024 -0.000000000045 -585.137906352000 0.000000000024 -585.137906352 10 5.817955659070e+02 -3.465096921967e+03 1.243676549129e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=198153367. IVT= 138616 IEndB= 138616 NGot= 939524096 MDV= 745310930 LenX= 745310930 LenY= 745271285 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= 19701 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -9.907378 -9.904867 -9.897754 -9.892947 -9.890948 -9.888250 -9.886972 -9.885761 -9.884809 -9.884096 -9.883123 -9.882668 -9.877017 -9.876204 -9.875778 -0.771946 -0.737576 -0.703691 -0.694436 -0.661398 -0.645452 -0.615219 -0.608362 -0.587376 -0.555142 -0.542917 -0.501612 -0.498998 -0.457601 -0.442297 -0.417137 -0.408537 -0.405561 -0.388834 -0.384159 -0.374017 -0.367692 -0.364763 -0.354553 -0.352967 -0.342861 -0.332834 -0.329646 -0.321809 -0.316714 -0.310538 -0.303784 -0.296055 -0.294494 -0.292757 -0.277821 -0.269046 -0.264741 -0.244887 -0.241312 -0.205940 -0.193226 -0.010181 -0.002653 0.076468 0.088839 0.093662 0.099454 0.105170 0.108650 0.117668 0.122925 0.124404 0.133809 0.135032 0.139212 0.143696 0.148369 0.153759 0.159077 0.160183 0.161648 0.168503 0.171432 0.174448 0.180308 0.188756 0.192090 0.193285 0.200865 0.202110 0.213911 0.215199 0.222723 0.225969 0.234555 0.236188 0.243677 0.249492 0.255360 0.262170 0.278110 0.285614 0.287402 0.290068 0.306111 0.316521 0.322603 0.329213 0.331542 0.338630 0.345835 0.351217 0.355948 0.365968 0.373156 0.387084 0.396006 0.403485 0.412213 0.419518 0.423969 0.428981 0.439826 0.445371 0.450555 0.468878 0.476271 0.490606 0.509599 0.516410 0.529943 0.537700 0.542655 0.553523 0.567845 0.573431 0.579422 0.598890 0.616785 0.636104 0.660956 0.668166 0.679334 0.693339 0.708862 0.778266 0.797459 0.825039 0.875012 0.887572 0.904443 0.927387 0.937599 0.951468 0.975356 0.982799 0.990170 0.996801 1.009589 1.038396 1.059807 1.076211 1.083596 1.093338 1.099173 1.108700 1.115942 1.129194 1.135592 1.150386 1.155565 1.169817 1.178817 1.203665 1.227438 1.255082 1.262188 1.282014 1.303813 1.319859 1.337839 1.351517 1.380248 1.455113 1.478978 1.490617 1.543609 22.399859 22.480829 22.581161 22.607977 22.616873 22.633660 22.646520 22.665559 22.682666 22.690083 22.707347 22.723850 22.735542 22.774535 22.781746 15.958847 15.957007 15.957424 15.958662 15.955303 15.957556 15.956552 15.956360 15.956022 15.957292 15.957391 15.955502 15.955871 15.956486 15.955581 1.308766 1.375467 1.407490 1.416049 1.453368 1.439307 1.388687 1.429260 1.398855 1.410674 1.352576 1.345649 1.327221 1.246336 1.055974 1.047677 1.032539 1.003388 1.018882 1.050244 1.040836 1.039441 1.035817 1.137294 1.064184 1.042253 1.128163 1.087693 1.247331 1.182583 1.158066 1.254387 1.249940 1.234859 1.179028 1.236581 1.279989 1.217995 1.438482 1.409582 1.158895 1.214116 1.363454 1.403035 1.122137 1.050946 1.027777 1.099842 1.089893 1.041579 0.989658 1.072558 1.108346 1.159789 1.024892 1.045644 1.252125 1.097094 1.127094 1.185461 1.115566 1.135753 1.041765 1.016793 1.251895 1.177285 1.132909 1.179913 1.293937 1.303367 1.246612 1.119105 1.115519 1.289438 1.267504 1.414421 1.291873 1.246692 1.383186 1.229933 1.342540 1.368493 1.482044 1.642927 1.377000 1.683434 1.561124 1.657613 1.493786 1.545393 1.295207 1.652954 2.154278 1.636673 1.711934 1.599759 1.780804 1.789510 1.833262 2.044587 2.075387 2.155902 1.959156 2.067181 1.902057 2.164838 2.183531 2.026346 2.334134 1.781393 2.070241 2.067861 2.261718 2.209180 2.188165 2.157596 1.885499 2.517059 2.150729 2.344046 2.433559 2.193323 1.859379 2.155552 1.971968 1.760717 2.120746 2.088854 2.196617 2.632767 3.038836 2.913683 2.931429 3.014729 3.127709 3.071575 2.914782 2.902410 3.024040 3.036638 3.029724 2.769031 2.726792 2.688259 2.748951 2.643030 2.670299 2.684449 2.648204 2.751290 2.671680 2.782850 2.712940 2.742203 2.733834 2.677720 2.668305 2.765223 2.681535 2.852436 2.753806 2.790037 2.750363 2.815219 3.125474 2.953553 3.059043 3.150566 57.412200 57.405608 57.413107 57.409251 57.400107 57.399303 57.390945 57.391157 57.394237 57.386351 57.394654 57.390786 57.398122 57.393543 57.405141 5.817955659070D+02 PT5846.700S 2018-04-14T18:40:24.000+02:00 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 38 39 C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H 0.275104 -0.045053 -0.600678 0.527494 -0.158050 -0.651033 -0.486472 -0.462846 -0.832055 -0.436759 -0.481119 -0.806993 0.549460 -0.859450 -0.778331 0.204733 0.217988 0.225009 0.205761 0.210856 0.222768 0.202416 0.203951 0.217672 0.217652 0.217938 0.232569 0.229905 0.210369 0.206239 0.222589 0.227616 0.219587 0.223266 0.228986 0.226594 0.227816 0.223330 0.221173 0.00000 -9.88825 -9.88697 -9.88576 -9.88481 -9.88410 -9.88312 -9.88267 -9.87702 -9.87620 -9.87578 -0.77195 -0.73758 -0.70369 -0.69444 -0.66140 -0.64545 -0.61522 -0.60836 -0.58738 -0.55514 -0.54292 -0.50161 -0.49900 -0.45760 -0.44230 -0.41714 -0.40854 -0.40556 -0.38883 -0.38416 -0.37402 -0.36769 -0.36476 -0.35455 -0.35297 -0.34286 -0.33283 -0.32965 -0.32181 -0.31671 -0.31054 -0.30378 -0.29606 -0.29449 -0.29276 -0.27782 -0.26905 -0.26474 -0.24489 -0.24131 -0.20594 -0.19323 -0.01018 -0.00265 0.07647 0.08884 0.09366 0.09945 0.10517 0.10865 0.11767 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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|38 H 1S|2S|39 H 1S|2S 1.17438 0.81378 0.71688 0.60727 0.85920 0.85886 0.84874 -0.01974 -0.03526 -0.08636 1.17435 0.81406 0.72108 0.58019 0.85829 0.85197 0.89388 0.01031 0.00968 0.13147 1.17433 0.81401 0.72039 0.68497 0.84777 0.89318 0.90410 0.08345 0.20428 0.25862 1.17444 0.81390 0.74983 0.39209 0.89623 0.87863 0.78207 -0.07151 -0.24419 0.13060 1.17431 0.81399 0.71938 0.63425 0.86020 0.86429 0.90160 0.01285 -0.01572 0.14890 1.17425 0.81412 0.71817 0.69853 0.87082 0.89694 0.90660 0.13689 0.19224 0.23798 1.17429 0.81417 0.72131 0.64361 0.87699 0.87353 0.90647 0.14393 0.11126 0.20610 1.17429 0.81418 0.72172 0.64958 0.87871 0.87355 0.90473 0.12543 0.11932 0.18422 1.17424 0.81421 0.72100 0.74169 0.92248 0.91844 0.86506 0.26574 0.24115 0.15669 1.17427 0.81422 0.72376 0.64003 0.89346 0.87281 0.90571 0.16617 0.06600 0.18118 1.17442 0.81404 0.74263 0.59127 0.88862 0.90904 0.79415 0.12072 0.16835 0.25595 1.17424 0.81427 0.72208 0.72142 0.91761 0.87483 0.91534 0.25179 0.16215 0.23244 1.17451 0.81396 0.75876 0.37966 0.85723 0.83287 0.84198 -0.09951 -0.04660 -0.00230 1.17422 0.81428 0.72404 0.73628 0.91686 0.89353 0.91312 0.23186 0.18793 0.24176 1.17440 0.81419 0.74491 0.63441 0.88874 0.87738 0.86040 0.25619 0.27505 0.21202 0.51639 0.28323 0.51772 0.27289 0.51271 0.26473 0.51475 0.29028 0.51261 0.28063 0.51470 0.26659 0.51460 0.28677 0.51464 0.28408 0.51455 0.26498 0.51355 0.28843 0.51370 0.26964 0.51268 0.26124 0.51230 0.26278 0.51057 0.27943 0.51262 0.27903 0.51668 0.27311 0.51313 0.26765 0.51121 0.27445 0.51238 0.26491 0.51075 0.26265 0.50957 0.26574 0.50833 0.26813 0.51347 0.27463 0.51532 0.26108 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 38 39 C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H 0.262244 -0.045285 -0.585095 0.497895 -0.114029 -0.646540 -0.471675 -0.445735 -0.820705 -0.437606 -0.459188 -0.786176 0.489434 -0.833876 -0.737673 0.200382 0.209397 0.222558 0.194967 0.206767 0.218709 0.198637 0.201275 0.220462 0.198018 0.216654 0.226084 0.224916 0.210009 0.208355 0.210213 0.219221 0.214345 0.222710 0.226596 0.224695 0.223540 0.211900 0.223599 0.00000 1.60020386e-01 -1.62201038e-01 1.56366649e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.4067 -0.4123 0.3974 0.7024 -94.3052 -93.3080 -94.6652 1.1790 -2.1431 -0.8986 -0.2124 0.7848 -0.5724 1.1790 -2.1431 -0.8986 15.5285 14.8123 -2.3923 0.8848 -6.8089 -5.0940 1.3700 4.1502 -3.6636 1.3453 -3305.6118 -1219.6380 -512.9078 73.1221 -34.6506 21.9999 54.2455 -55.1928 56.9482 -757.2573 -629.4170 -291.8826 16.7940 -22.6061 -9.4584 0 -585.1379064 7.301E-9 5.909E-5 -0.1579319,0.5834948,-0.4255628,0.876578,-1.5933389,-0.6680779 C01 [X(C15H24)] 0.1600204 -0.162201 0.1563666 @ 0.000003935 -0.000103293 0.000061064 0.000022714 -0.000028239 0.000023514 0.000178475 -0.000191162 -0.000088086 0.000018843 0.000015932 -0.000008685 -0.000156929 0.000414088 0.000067164 0.000021012 0.000054928 0.000043203 -0.000004738 0.000025898 -0.000033417 -0.000007971 -0.000212912 0.000020766 -0.000004867 0.000033888 -0.000039922 0.000011819 -0.000039614 0.000002313 -0.000022298 0.000015799 0.000008038 -0.000024471 0.000025780 0.000001369 -0.000034348 -0.000123703 -0.000066422 0.000020048 -0.000002991 0.000041458 0.000010875 -0.000012569 -0.000010535 0.000003102 -0.000005153 -0.000004488 -0.000013692 0.000048003 0.000031953 -0.000054837 0.000041461 0.000010293 0.000043340 -0.000007742 -0.000002148 0.000012903 -0.000016699 -0.000033997 -0.000001433 -0.000004281 -0.000007041 0.000008769 0.000005324 0.000004949 0.000008979 -0.000003487 -0.000022341 -0.000005345 0.000019113 -0.000013492 0.000027869 0.000018472 0.000030715 -0.000009505 -0.000011367 -0.000010352 -0.000017893 0.000027948 0.000014103 -0.000031144 0.000002754 -0.000002351 -0.000009718 -0.000013145 0.000000458 -0.000017861 -0.000005240 -0.000004032 -0.000004541 -0.000022968 0.000009226 0.000033161 0.000024660 -0.000015700 0.000003053 -0.000010222 0.000023928 -0.000000448 0.000001449 -0.000036095 0.000012065 0.000012009 0.000012997 -0.000024728 0.000033544 -0.000018821 0.000009206 0.000012977 -0.000030506 0.000030409 0.000013476 0.000001038 -0.000033811 -0.000032716 0.000039882 180.16049999999996 AuxInfo=1/0/N:15,14,12,9,10,7,11,8,6,3,13,2,5,4,1/CRV:1.3,7.3,11.3,14.3/rA:39CCCC3CCCCCCC3CC3CC3HHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s3;s4;s2;s5s6;s1;s7;s4s10;s2;s5;s13;s13;s2;s3;s3;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s11;s12;s12;s12;s14;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2025 CBGUSER 000288227 EM64L-G09RevD.01 14-Apr-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 111 C1[X(C15H24)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 180.16049999999996 0 1 AuxInfo=1/0/N:15,14,12,9,10,7,11,8,6,3,13,2,5,4,1/CRV:1.3,7.3,11.3,14.3/rA:39CCCC3CCCCCCC3CC3CC3HHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s3;s4;s2;s5s6;s1;s7;s4s10;s2;s5;s13;s13;s2;s3;s3;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s11;s12;s12;s12;s14;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-28460.inp" -scrdir="/scratch/" chk=000288227-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 000288227 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 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 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 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 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| 0.000610 0.000107 0.038309 0.011396 0.000450 0.000300 0.001800 0.001200 NO YES NO NO -8.719333e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1054.4868927155 198 456 198 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 39 39 39 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 0 0 180.16049999999996 AuxInfo=1/0/N:15,14,12,9,10,7,11,8,6,3,13,2,5,4,1/CRV:1.3,7.3,11.3,14.3/rA:39CCCC3CCCCCCC3CC3CC3HHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s3;s4;s2;s5s6;s1;s7;s4s10;s2;s5;s13;s13;s2;s3;s3;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s11;s12;s12;s12;s14;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.575882 0.000000 1.568693 2.548243 0.000000 1.543674 2.555715 2.524024 0.000000 2.634263 3.974437 1.558977 2.980963 0.000000 2.606017 3.948778 2.949796 1.524678 2.544129 0.000000 2.580934 1.549547 3.916678 2.887285 5.164944 4.401814 0.000000 3.052465 4.401649 2.525007 2.553724 1.545308 1.549193 5.268145 0.000000 1.559807 2.583448 2.557644 2.534579 3.188724 3.208570 3.240170 3.814357 0.000000 3.073769 2.549690 4.333214 2.551716 5.319272 3.943773 1.542188 4.970181 3.989932 0.000000 2.557506 2.866013 3.678471 1.362171 4.282491 2.508022 2.524819 3.657415 3.524765 1.515666 0.000000 2.620947 1.546425 3.184410 3.952832 4.672968 5.216462 2.541811 5.485688 3.014115 3.906658 4.381319 0.000000 3.971863 5.089859 2.546813 4.435835 1.532178 3.942155 6.436211 2.593324 4.513054 6.645196 5.674519 5.544181 0.000000 4.621927 5.619513 3.230164 5.441577 2.584223 5.106006 7.057977 3.946563 4.811262 7.550557 6.732694 5.670413 1.521677 0.000000 4.937811 5.960658 3.522549 5.131665 2.549419 4.498841 7.260821 2.969433 5.695658 7.259679 6.230040 6.547065 1.360751 2.508929 0.000000 2.165800 1.112586 2.615673 2.837941 4.056452 4.149528 2.153435 4.369742 3.502541 2.691560 3.007593 2.161983 4.990091 5.660270 5.648860 0.000000 2.190578 2.812180 1.106602 3.480164 2.197034 3.964634 4.304364 3.491650 2.737190 5.030340 4.592800 2.863081 2.732326 2.862871 3.854035 2.983083 0.000000 2.193489 2.679307 1.109628 2.824239 2.168541 3.335143 4.034000 2.755659 3.509642 4.268158 3.715221 3.435979 2.791877 3.669839 3.388280 2.266656 1.781274 0.000000 2.845621 4.316543 2.172876 3.282101 1.113093 2.744395 5.408532 2.159933 2.809334 5.687670 4.642644 4.869107 2.136551 2.679842 3.309944 4.657076 2.532259 3.076320 0.000000 2.946970 4.412493 3.400923 2.172598 2.820025 1.111182 4.807530 2.170544 2.971462 4.531097 3.178149 5.512424 4.227581 5.179845 4.958412 4.840078 4.246033 4.054609 2.559581 0.000000 3.538967 4.697422 3.941531 2.163349 3.505991 1.106414 4.904361 2.191553 4.192917 4.108306 2.592984 6.084286 4.771110 6.046896 5.093259 4.789400 4.999680 4.136532 3.766547 1.775007 0.000000 3.538308 2.186261 4.718581 3.949693 6.084458 5.473010 1.107740 6.260111 4.168008 2.188393 3.472995 2.682571 7.253767 7.797745 8.050073 2.543335 4.962585 4.708370 6.374527 5.912133 5.944054 0.000000 2.806322 2.186357 4.302548 3.141596 5.415345 4.537461 1.108359 5.566378 2.898640 2.180235 2.910246 2.856509 6.772784 7.287163 7.722468 3.077019 4.616684 4.670639 5.433407 4.689519 5.076078 1.776650 0.000000 4.070300 5.481624 3.497815 3.507413 2.190012 2.193270 6.308460 1.107129 4.605369 5.948727 4.552225 6.521790 2.826372 4.145528 2.969663 5.476351 4.351737 3.766304 2.516531 2.478608 2.537287 7.325489 6.530694 0.000000 3.417291 4.480004 2.776508 2.836338 2.182563 2.177032 5.347458 1.108582 4.509665 4.896391 3.672665 5.643497 2.869447 4.347109 2.845766 4.173321 3.782622 2.543245 3.083344 3.081774 2.495998 6.245516 5.845914 1.784936 0.000000 2.219838 3.551929 2.893278 2.724754 2.944852 2.843667 4.152650 3.447216 1.103954 4.635457 3.852256 4.085738 4.290580 4.630932 5.465486 4.357809 3.194364 3.919209 2.274377 2.276879 3.823632 5.152241 3.769147 4.021848 4.344262 0.000000 2.211443 2.907774 2.740051 3.499823 3.466013 4.135155 3.793289 4.448489 1.105644 4.801373 4.503918 2.758721 4.521662 4.471858 5.804925 3.812604 2.455433 3.730218 3.019761 3.891352 5.178031 4.540433 3.472296 5.208748 5.126249 1.782113 0.000000 2.211082 2.777426 3.525686 2.869906 4.224456 3.731059 2.888671 4.640737 1.104683 3.704077 3.492200 3.193893 5.597701 5.910618 6.745968 3.827337 3.723807 4.358994 3.842965 3.434697 4.551980 3.771016 2.207618 5.424734 5.297195 1.776888 1.791329 0.000000 3.680601 2.940021 4.667941 3.192740 5.714984 4.512982 2.187479 5.322244 4.834612 1.111709 2.159073 4.246991 6.896134 7.867065 7.352761 2.653205 5.367380 4.333384 6.259137 5.273847 4.589490 2.438963 3.084912 6.322096 5.015409 5.510968 5.561333 4.680571 0.000000 3.983120 3.504906 5.346088 3.337239 6.245565 4.592413 2.191669 5.797441 4.637636 1.108922 2.158917 4.725077 7.631635 8.535634 8.256849 3.758911 6.033008 5.352538 6.513199 5.048630 4.597964 2.611796 2.439355 6.699768 5.782421 5.215005 5.492079 4.125639 1.769644 0.000000 3.545223 3.957367 4.515423 2.120725 4.852931 2.684061 3.519424 3.903333 4.427721 2.237915 1.100900 5.480021 6.209733 7.396860 6.606128 3.995094 5.509925 4.487866 5.222366 3.368191 2.292138 4.385934 3.840517 4.621884 3.842685 4.561987 5.461138 4.371339 2.664194 2.501771 0.000000 2.854930 2.219320 2.852900 4.325323 4.292650 5.379094 3.523606 5.346358 3.237210 4.751740 4.993005 1.105066 4.904358 4.838073 5.925814 2.567241 2.202064 3.117285 4.516075 5.668187 6.333095 3.735472 3.853354 6.330777 5.506925 4.186457 2.724927 3.718976 5.024659 5.659188 6.071975 0.000000 3.564613 2.186711 4.087997 4.739904 5.626509 6.095679 2.798762 6.369491 4.076004 4.156793 4.928738 1.106195 6.414076 6.544828 7.316765 2.456837 3.775104 4.111085 5.917354 6.481605 6.880604 2.484714 3.269049 7.437626 6.391692 5.160612 3.842087 4.123313 4.288476 4.908989 5.999186 1.782103 0.000000 2.969107 2.205346 3.760047 4.291956 5.095932 5.507925 2.781982 5.940530 2.781192 4.264233 4.739283 1.105877 6.057769 6.052156 7.182623 3.096242 3.384738 4.253175 5.054407 5.596086 6.401472 2.951066 2.653336 6.915515 6.270296 3.855831 2.388354 2.710033 4.814095 4.904895 5.828154 1.788113 1.781910 0.000000 5.650831 6.563896 4.188850 6.433507 3.536342 6.045066 8.038108 4.756971 5.906756 8.508063 7.694597 6.557260 2.184040 1.103386 2.631070 6.498082 3.799373 4.445871 3.719358 6.166474 6.920724 8.731472 8.324627 4.834519 5.020275 5.729990 5.532309 7.005139 8.744282 9.520369 8.323280 5.651116 7.354680 6.993799 0.000000 4.288267 5.048547 2.948782 5.367881 2.868571 5.342673 6.540397 4.368742 4.463008 7.221280 6.607095 4.856203 2.187720 1.107441 3.252409 5.122093 2.240998 3.401419 2.983334 5.452205 6.355173 7.176008 6.780604 4.800494 4.718311 4.518082 3.942098 5.526325 7.523943 8.222631 7.398963 3.930925 5.677879 5.241388 1.787074 0.000000 4.851740 6.000750 3.689721 5.642745 2.858351 5.179607 7.348002 4.178509 4.702752 7.873110 6.989466 6.028697 2.176672 1.108234 3.237986 6.222499 3.337309 4.363365 2.504447 5.014785 6.140283 8.152088 7.415608 4.227365 4.812582 4.331845 4.333065 5.767866 8.325294 8.783761 7.631460 5.263792 6.990816 6.223344 1.790573 1.776799 0.000000 5.921515 6.862207 4.436821 6.207437 3.550678 5.591472 8.222989 4.058291 6.633337 8.278264 7.297888 7.309839 2.145052 2.735667 1.096760 6.507051 4.585890 4.257557 4.207703 6.014058 6.169101 8.959773 8.704377 3.961173 3.897510 6.413184 6.626610 7.707159 8.321490 9.296463 7.680800 6.582044 8.031692 7.962407 2.388685 3.516058 3.507113 0.000000 5.008205 6.020109 3.768039 4.887767 2.816023 4.157244 7.180330 2.642849 5.931915 6.949965 5.841848 6.831607 2.156337 3.524708 1.094928 5.615715 4.355130 3.466308 3.692271 4.771501 4.541295 7.989992 7.703029 2.584091 2.224456 5.691086 6.226342 6.908862 6.970467 7.909479 6.063143 6.352104 7.562100 7.516867 3.725660 4.202472 4.180345 1.861981 0.000000 C15H24 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 0 0 180.16049999999996 AuxInfo=1/0/N:15,14,12,9,10,7,11,8,6,3,13,2,5,4,1/CRV:1.3,7.3,11.3,14.3/rA:39CCCC3CCCCCCC3CC3CC3HHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s1;s1;s3;s4;s2;s5s6;s1;s7;s4s10;s2;s5;s13;s13;s2;s3;s3;s5;s6;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s11;s12;s12;s12;s14;s14;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1.0016023 0.4013512 0.3321019 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= 9591 NPrTT= 47358 LenC2= 9069 LenP2D= 30277. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 198 RedAO= T EigKep= 9.04D-04 NBF= 198 NBsUse= 198 1.00D-06 EigRej= -1.00D+00 NBFU= 198 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= 197 197 197 197 197 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 0 1 -584.760737543789 -584.879986345607 -0.119248801818 -585.129964770220 -0.249978424613 -585.127773852505 0.002190917715 -585.136738916424 -0.008965063918 -585.137427622116 -0.000688705692 -585.137441138507 -0.000013516391 -585.137445201546 -0.000004063039 -585.137835334315 -0.000390132769 -585.137835910262 -0.000000575947 -585.137835864962 0.000000045300 -585.137835982260 -0.000000117298 -585.137835997193 -0.000000014933 -585.137835997416 -0.000000000223 -585.137835997450 -0.000000000034 -585.137835997469 -0.000000000019 -585.137835997 16 5.817958429102e+02 -3.465097061573e+03 1.243676489950e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=198153703. IVT= 138952 IEndB= 138952 NGot= 939524096 MDV= 745310594 LenX= 745310594 LenY= 745270949 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= 19701 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= 39. Will process 40 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111 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= 939523504 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=198025980. 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= 19701 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 8.04D-15 1.00D-09 XBig12= 2.04D+02 7.66D+00. AX will form 117 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 8.04D-15 1.00D-09 XBig12= 4.18D+01 2.69D+00. 117 vectors produced by pass 2 Test12= 8.04D-15 1.00D-09 XBig12= 9.18D-02 3.12D-02. 117 vectors produced by pass 3 Test12= 8.04D-15 1.00D-09 XBig12= 1.33D-05 2.92D-04. 47 vectors produced by pass 4 Test12= 8.04D-15 1.00D-09 XBig12= 7.66D-10 2.32D-06. 3 vectors produced by pass 5 Test12= 8.04D-15 1.00D-09 XBig12= 3.51D-14 1.16D-08. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 518 with 120 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 155.97 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 186.954 1.804 152.377 -0.191 7.855 128.588 284.043 4.577 248.047 0.739 26.397 240.629 (Enter /mnt/data/applications/G09/g09/l716.exe) PT2904S 2018-04-14T18:52:38.000+02:00 -9.90738 -9.90486 -9.89775 -9.89294 -9.89096 -9.88826 -9.88696 -9.88577 -9.88480 -9.88409 -9.88312 -9.88269 -9.87702 -9.87620 -9.87576 -0.77195 -0.73758 -0.70369 -0.69444 -0.66140 -0.64546 -0.61522 -0.60836 -0.58738 -0.55514 -0.54292 -0.50161 -0.49900 -0.45760 -0.44230 -0.41714 -0.40853 -0.40556 -0.38883 -0.38416 -0.37401 -0.36769 -0.36477 -0.35455 -0.35296 -0.34286 -0.33283 -0.32965 -0.32181 -0.31671 -0.31054 -0.30379 -0.29606 -0.29450 -0.29276 -0.27782 -0.26905 -0.26474 -0.24489 -0.24131 -0.20593 -0.19324 -0.01018 -0.00266 0.07647 0.08885 0.09367 0.09946 0.10517 0.10865 0.11767 0.12292 0.12440 0.13381 0.13503 0.13922 0.14370 0.14837 0.15376 0.15908 0.16019 0.16165 0.16851 0.17144 0.17445 0.18031 0.18876 0.19210 0.19328 0.20087 0.20211 0.21391 0.21521 0.22273 0.22596 0.23456 0.23618 0.24368 0.24950 0.25535 0.26217 0.27811 0.28562 0.28740 0.29007 0.30611 0.31655 0.32260 0.32922 0.33154 0.33865 0.34584 0.35121 0.35594 0.36597 0.37315 0.38708 0.39601 0.40347 0.41221 0.41951 0.42397 0.42899 0.43983 0.44537 0.45056 0.46887 0.47627 0.49062 0.50960 0.51646 0.52994 0.53770 0.54267 0.55354 0.56784 0.57342 0.57943 0.59891 0.61676 0.63613 0.66097 0.66816 0.67935 0.69332 0.70896 0.77828 0.79742 0.82507 0.87501 0.88758 0.90446 0.92739 0.93761 0.95147 0.97536 0.98280 0.99015 0.99680 1.00961 1.03839 1.05981 1.07621 1.08359 1.09334 1.09917 1.10869 1.11594 1.12920 1.13559 1.15038 1.15556 1.16982 1.17882 1.20367 1.22744 1.25508 1.26219 1.28200 1.30381 1.31985 1.33784 1.35153 1.38025 1.45512 1.47897 1.49061 1.54362 22.39986 22.48083 22.58116 22.60797 22.61688 22.63367 22.64652 22.66556 22.68267 22.69008 22.70735 22.72385 22.73554 22.77453 22.78174 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 38 39 C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H 0.262020 -0.044718 -0.584806 0.497754 -0.114365 -0.646221 -0.472003 -0.445702 -0.820795 -0.437521 -0.459175 -0.786195 0.489622 -0.833749 -0.737658 0.200292 0.209369 0.222481 0.194964 0.206663 0.218663 0.198648 0.201317 0.220445 0.197965 0.216652 0.226108 0.224922 0.210026 0.208365 0.210235 0.219194 0.214323 0.222671 0.226564 0.224670 0.223511 0.211884 0.223580 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 C C C C C C C C C C C C C C C 0.262020 0.155574 -0.152956 0.497754 0.080599 -0.220895 -0.072037 -0.027292 -0.153113 -0.019130 -0.248940 -0.130008 0.489622 -0.159004 -0.302195 0.00000 -1.67065698e-01 1.81638412e-01 1.24994685e-01 1.86953784e+02 1.80443561e+00 1.52377147e+02 -1.91321292e-01 7.85463317e+00 1.28587983e+02 -8.4848 -0.0003 -0.0003 0.0005 2.4273 11.4786 31.0522 60.3462 100.3108 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 30.9080 60.3380 100.2217 127.5905 150.9599 163.8966 175.7977 189.5747 226.5692 256.1899 271.0448 284.6291 296.9550 307.7653 317.6639 348.9628 401.0741 424.0637 429.4714 449.4196 472.2364 506.5027 525.6262 552.2839 598.9880 649.1213 684.5169 717.6545 795.3445 805.8729 812.9798 842.0905 870.1468 891.6581 892.4640 925.1017 930.1568 936.2656 943.7061 968.8241 982.0355 985.5538 1000.3270 1006.7930 1047.0605 1054.4944 1066.7825 1072.3435 1096.6399 1108.1537 1129.4654 1135.6275 1152.0012 1169.8766 1183.7454 1200.5344 1216.2485 1234.9058 1244.6279 1262.5972 1284.6160 1296.8278 1308.1365 1310.2365 1326.7672 1333.0459 1339.4668 1349.0634 1354.2596 1368.7282 1378.7624 1387.2347 1393.3023 1425.5789 1452.3476 1457.5697 1461.6573 1462.9870 1466.1403 1467.4819 1472.2740 1475.6636 1478.3775 1485.0142 1491.3777 1663.3899 1678.4339 2936.2790 2945.0675 2946.4891 2953.2946 2964.1057 2964.8026 2971.9995 2974.6465 2975.2578 2981.9456 2999.6943 3026.5606 3030.3837 3030.8783 3037.2167 3040.5985 3062.8924 3070.8724 3073.0316 3079.8336 3080.7607 3083.4160 3094.1761 3194.0611 2.5426 3.0471 2.5404 2.7619 1.7747 1.4271 1.5897 1.3401 1.2789 2.2345 2.5505 2.8608 2.2715 2.3899 2.4881 2.0943 2.8288 2.8269 2.6124 3.4483 2.7399 2.5483 2.4356 2.2734 2.9079 3.2020 1.6373 1.4749 2.5888 1.7384 1.6137 1.4528 1.9633 2.1685 2.3827 1.3643 1.8089 1.6456 1.5517 1.9254 1.8036 1.6998 1.8364 1.5510 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