Gaussian 09 GINC-KIMIK2070 CBGUSER 000282178 EM64L-G09RevD.01 25-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 240.17269999999985 0 1 AuxInfo=1/0/N:19,17,18,5,6,7,8,9,10,14,15,16,11,13,12,3,4,2,1/E:(6,7)(8,9)/CRV:10.3,11.3,12.3,14.3,15.3,18.1/rA:43OO1NNCCCCCCCC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s3;s4s5;s3;s3;s1s7;s1s8;;s2s4s11;s4;s11;s13;s14s15;s11;s13;s16;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s14;s15;s17;s17;s17;s18;s18;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-14738.inp" -scrdir="/scratch/" chk=000282178.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 000282178 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 16 16 14 14 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 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 2 2 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 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 11 13 13 14 14 15 15 16 17 17 17 18 18 18 19 19 19 9 10 12 5 7 8 6 12 13 6 20 21 22 23 9 24 25 10 26 27 28 29 30 31 12 14 17 32 15 18 16 33 16 34 19 35 36 37 38 39 40 41 42 43 1.4415 1.4432 1.2209 1.4984 1.5009 1.5013 1.4959 1.4197 1.4308 1.5442 1.111 1.1118 1.1187 1.1097 1.5377 1.1113 1.1102 1.5359 1.1116 1.1118 1.1043 1.1038 1.1039 1.1041 1.5295 1.4977 1.5288 1.1279 1.3523 1.5023 1.3455 1.0881 1.46 1.0936 1.5004 1.0974 1.0966 1.096 1.1006 1.0987 1.1002 1.0989 1.0987 1.0975 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A79 A80 A81 A82 9 5 5 7 6 6 12 3 3 3 6 6 20 4 4 4 5 5 22 3 3 3 9 9 24 3 3 3 10 10 26 1 1 1 7 7 28 1 1 1 8 8 30 12 12 12 14 14 17 2 2 4 4 4 15 11 11 16 13 13 16 14 14 15 11 11 11 35 35 36 13 13 13 38 38 39 16 16 16 41 41 42 1 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 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 10 7 8 8 12 13 13 6 20 21 20 21 21 5 22 23 22 23 23 9 24 25 24 25 25 10 26 27 26 27 27 7 28 29 28 29 29 8 30 31 30 31 31 14 17 32 17 32 32 4 11 11 15 18 18 16 33 33 16 34 34 15 19 19 35 36 37 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 112.3106 110.8539 110.9332 109.5806 116.222 117.9928 125.5772 107.4238 109.6427 113.7644 109.7715 109.9802 106.2392 110.204 108.6358 110.7857 110.0804 110.8348 106.2023 108.4061 112.9508 108.5329 109.7279 109.7351 107.4524 108.6101 108.5234 112.8903 110.0168 109.8596 106.9088 110.6524 108.9644 102.4326 111.6945 112.2182 110.469 110.5818 102.3653 108.9155 112.254 111.8445 110.4464 109.4641 111.804 105.2131 113.7863 108.5503 107.5995 118.0675 121.1869 120.7335 124.7077 115.3836 119.901 124.4234 114.4366 121.1395 127.437 118.6051 113.9574 123.9411 121.0754 114.967 110.3209 112.3344 111.4546 106.8169 107.7312 107.9599 111.7489 111.9984 111.8559 106.8577 107.3789 106.6797 110.9775 111.3032 112.6918 107.3752 107.1277 107.0923 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 10 10 10 9 9 9 7 7 7 8 8 8 5 5 5 8 8 8 5 5 5 7 7 7 12 12 12 13 13 13 6 6 13 13 6 6 12 12 3 3 3 20 20 20 21 21 21 3 3 3 24 24 24 25 25 25 3 3 3 26 26 26 27 27 27 14 14 17 17 32 32 12 12 17 17 32 32 12 12 12 14 14 14 32 32 32 4 4 18 18 4 4 4 15 15 15 11 11 33 33 13 13 34 34 14 14 14 15 15 15 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 16 9 9 9 10 10 10 5 5 5 5 5 5 7 7 7 7 7 7 8 8 8 8 8 8 6 6 6 6 6 6 12 12 12 12 13 13 13 13 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 15 15 15 15 18 18 18 18 18 18 16 16 16 16 16 16 16 16 19 19 19 19 19 19 7 28 29 8 30 31 6 20 21 6 20 21 9 24 25 9 24 25 10 26 27 10 26 27 5 22 23 5 22 23 2 11 2 11 15 18 15 18 4 22 23 4 22 23 4 22 23 1 28 29 1 28 29 1 28 29 1 30 31 1 30 31 1 30 31 2 4 2 4 2 4 16 33 16 33 16 33 35 36 37 35 36 37 35 36 37 16 34 16 34 38 39 40 38 39 40 15 19 15 19 14 19 14 19 41 42 43 41 42 43 58.3805 -64.7973 178.1759 -58.2197 -177.9861 65.0669 156.4287 37.1893 -81.6002 -81.5869 159.1738 40.3842 -177.7811 60.3989 -58.6442 59.4471 -62.3728 178.5841 177.8216 58.2351 -60.0867 -59.4537 -179.0403 62.6379 -99.8183 20.8586 137.1524 75.2365 -164.0866 -47.7928 0.3778 -178.3701 -174.2522 6.9999 -141.7994 37.1858 32.7447 -148.2701 -173.7478 66.446 -50.7472 -54.5909 -174.3972 68.4096 61.9534 -57.8529 -175.0461 -58.1778 63.4048 -171.9116 65.5964 -172.821 -48.1373 -176.5546 -54.9721 69.7116 57.956 171.5848 -63.6177 176.6052 -69.766 55.0314 -65.9621 47.6667 172.4642 117.5103 -63.7813 -115.468 63.2404 1.037 179.7454 59.8223 -120.4446 -66.0718 113.6613 174.1631 -6.1039 173.9411 -67.002 54.3056 -61.4107 57.6462 178.9538 58.8912 177.9481 -60.7443 -0.7906 178.9402 -179.733 -0.0023 -74.4537 165.6849 45.9772 104.584 -15.2774 -134.9851 0.2069 178.6533 -179.5091 -1.0627 -36.2271 145.2407 144.0316 -34.5006 -108.4741 132.0016 11.671 70.1042 -49.4201 -169.7508 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 246 258 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 43 43 43 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= 13203 NPrTT= 66174 LenC2= 11703 LenP2D= 37097. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 238 RedAO= T EigKep= 1.41D-03 NBF= 238 NBsUse= 238 1.00D-06 EigRej= -1.00D+00 NBFU= 238 Using GEDIIS/GDIIS optimizer. local minimum Step number 13 out of a maximum of 246 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00094 0.00226 0.00374 0.00397 0.00573 0.00633 0.00663 0.00786 0.00930 0.01163 0.01214 0.01315 0.01499 0.01644 0.01694 0.01722 0.01940 0.02270 0.02312 0.03066 0.03779 0.04262 0.04375 0.04681 0.04928 0.05013 0.05053 0.05260 0.05428 0.05445 0.05448 0.05716 0.05762 0.05975 0.06223 0.06287 0.06909 0.07046 0.07081 0.07246 0.07329 0.08487 0.08753 0.08838 0.08963 0.09035 0.09294 0.10846 0.11609 0.11745 0.12560 0.13161 0.13321 0.14975 0.15182 0.15591 0.15859 0.15986 0.15998 0.16001 0.16002 0.16012 0.16025 0.16050 0.16068 0.16126 0.16399 0.17485 0.18323 0.21226 0.21449 0.21870 0.22658 0.23488 0.24602 0.24840 0.25170 0.26047 0.27370 0.27575 0.28646 0.28893 0.29416 0.29910 0.30940 0.31451 0.31706 0.31907 0.32005 0.32130 0.32311 0.32369 0.32436 0.32486 0.32532 0.32597 0.32765 0.32872 0.33092 0.33199 0.33233 0.33258 0.33317 0.33590 0.33677 0.33799 0.33845 0.33881 0.33966 0.34043 0.34156 0.34372 0.34467 0.35051 0.35874 0.36136 0.37773 0.38217 0.41682 0.50971 0.52907 0.54735 0.87568 RFO step: Lambda=-2.77497189D-08. 1 2 0.00044817 0.00000012 0.00000011 0.00000007 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 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 A79 A80 A81 A82 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 2.78164 2.78550 2.39998 2.79831 2.80803 2.81373 2.82245 2.68188 2.69713 2.92326 2.09232 2.10835 2.07948 2.07845 2.90694 2.11492 2.09144 2.90311 2.08742 2.11380 2.10108 2.08390 2.08331 2.10035 2.90328 2.87417 2.93756 2.08562 2.60853 2.87812 2.59240 2.07445 2.76636 2.07548 2.87684 2.08719 2.08235 2.08884 2.09064 2.08185 2.09072 2.09335 2.09122 2.08483 1.91377 1.98052 1.96805 1.91769 1.99768 2.06616 2.21563 1.93103 1.89268 1.96013 1.90711 1.89905 1.87242 1.94425 1.86680 1.92762 1.91342 1.91655 1.89394 1.91322 1.95041 1.90383 1.90123 1.90839 1.88625 1.91731 1.91551 1.93544 1.91298 1.90625 1.87583 1.94205 1.91443 1.84153 1.90817 1.94149 1.91528 1.94015 1.84004 1.91380 1.94065 1.91248 1.91559 1.91344 1.97897 1.80135 1.99473 1.88554 1.87690 2.09615 2.10962 2.07694 2.18360 2.02325 2.07594 2.16685 2.03726 2.07888 2.25393 2.00804 2.01991 2.14064 2.11408 2.02826 1.90772 1.96006 1.92542 1.88392 1.88842 1.89654 1.96939 1.91175 1.94424 1.87423 1.87620 1.88481 1.93350 1.94342 1.94672 1.86573 1.88305 1.88829 1.00874 -1.10489 3.11645 -1.00502 -3.10975 1.11237 2.66747 0.57614 -1.48997 -1.42105 2.77080 0.70470 -3.04670 1.12693 -0.95763 1.01526 -1.09429 3.10434 3.03984 0.93537 -1.13449 -1.01518 -3.11965 1.09367 -1.64070 0.44993 2.50774 1.41479 -2.77777 -0.71996 0.09322 -3.01568 -2.95355 0.22073 -2.55714 0.55347 0.48635 -2.68623 3.04612 0.98333 -1.09594 -1.15441 3.06597 0.98671 0.88484 -1.17795 3.02597 -1.02139 1.09590 -3.06929 1.11767 -3.04822 -0.93023 -3.10767 -0.99038 1.12761 1.01545 3.05975 -1.10271 3.12145 -1.11743 1.00330 -1.11090 0.93340 3.05413 1.99828 -1.17627 -2.03245 1.07620 -0.00744 3.10120 1.10552 -2.05768 -1.13828 1.98170 3.05671 -0.10649 3.01547 -1.17741 0.94109 -1.05745 1.03285 -3.13184 1.03558 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-0.00007 0.00009 0.00009 0.00010 -0.00002 -0.00012 0.00015 0.00006 0.00003 0.00012 -0.00003 0.00006 0.00045 0.00043 0.00046 0.00037 0.00035 0.00037 0.00006 0.00000 -0.00006 -0.00012 -0.00005 -0.00011 0.00010 0.00006 0.00001 0.00004 0.00001 0.00003 -0.00002 0.00000 -0.00004 0.00001 0.00002 -0.00001 0.00003 -0.00001 -0.00003 -0.00001 0.00000 -0.00002 -0.00003 -0.00003 0.00000 0.00001 0.00001 -0.00007 -0.00002 -0.00002 -0.00006 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00002 -0.00001 0.00003 0.00002 -0.00002 -0.00001 0.00005 -0.00003 -0.00002 0.00013 -0.00001 -0.00001 0.00001 0.00018 0.00003 0.00005 -0.00009 -0.00011 -0.00007 -0.00014 -0.00013 0.00001 0.00006 0.00022 -0.00002 0.00003 0.00007 -0.00003 -0.00006 0.00008 -0.00009 0.00002 0.00000 0.00010 -0.00003 -0.00001 -0.00008 -0.00009 -0.00002 -0.00008 0.00013 0.00001 0.00004 -0.00005 -0.00006 0.00002 -0.00004 0.00009 0.00003 0.00005 -0.00009 0.00006 -0.00008 0.00007 0.00001 0.00005 -0.00004 -0.00001 0.00004 0.00002 -0.00005 -0.00006 -0.00002 0.00007 0.00005 -0.00001 -0.00003 0.00009 -0.00007 -0.00003 0.00005 0.00000 0.00004 -0.00007 0.00001 -0.00003 0.00004 0.00007 0.00002 -0.00002 -0.00003 -0.00008 0.00000 0.00006 0.00002 0.00000 -0.00007 -0.00002 0.00008 -0.00001 -0.00001 -0.00006 0.00004 0.00003 -0.00014 -0.00016 -0.00013 0.00000 -0.00002 0.00001 -0.00002 -0.00002 0.00007 -0.00009 -0.00008 0.00001 0.00008 0.00011 0.00015 0.00013 0.00016 0.00020 0.00002 -0.00007 -0.00018 0.00001 -0.00008 -0.00018 0.00041 0.00050 0.00042 0.00051 -0.00056 -0.00021 -0.00056 -0.00022 0.00016 0.00037 0.00023 0.00025 0.00046 0.00032 0.00006 0.00027 0.00013 0.00006 0.00007 0.00022 0.00013 0.00014 0.00028 0.00003 0.00004 0.00018 -0.00011 -0.00023 -0.00016 -0.00012 -0.00024 -0.00017 -0.00024 -0.00036 -0.00029 -0.00009 -0.00018 -0.00023 -0.00032 -0.00022 -0.00031 -0.00005 -0.00017 0.00009 -0.00003 0.00008 -0.00004 0.00040 0.00034 0.00033 0.00032 0.00027 0.00025 0.00037 0.00031 0.00030 0.00014 0.00023 -0.00021 -0.00012 0.00027 0.00022 0.00027 0.00059 0.00054 0.00059 -0.00006 -0.00022 0.00006 -0.00009 0.00014 0.00029 0.00005 0.00020 0.00096 0.00092 0.00089 0.00081 0.00078 0.00074 2.78171 2.78550 2.39993 2.79819 2.80798 2.81361 2.82255 2.68193 2.69713 2.92330 2.09233 2.10839 2.07946 2.07845 2.90690 2.11493 2.09146 2.90310 2.08745 2.11378 2.10105 2.08389 2.08332 2.10033 2.90325 2.87414 2.93756 2.08563 2.60853 2.87805 2.59238 2.07442 2.76630 2.07546 2.87684 2.08719 2.08236 2.08882 2.09062 2.08184 2.09075 2.09337 2.09120 2.08482 1.91382 1.98049 1.96803 1.91782 1.99767 2.06615 2.21564 1.93121 1.89271 1.96018 1.90702 1.89893 1.87236 1.94412 1.86666 1.92762 1.91348 1.91677 1.89392 1.91325 1.95048 1.90381 1.90117 1.90847 1.88615 1.91734 1.91551 1.93554 1.91296 1.90624 1.87575 1.94195 1.91441 1.84145 1.90830 1.94150 1.91532 1.94010 1.83998 1.91382 1.94061 1.91256 1.91562 1.91349 1.97888 1.80141 1.99465 1.88561 1.87691 2.09620 2.10958 2.07694 2.18363 2.02326 2.07589 2.16679 2.03724 2.07895 2.25398 2.00802 2.01987 2.14074 2.11401 2.02823 1.90777 1.96006 1.92546 1.88385 1.88843 1.89651 1.96942 1.91181 1.94426 1.87422 1.87617 1.88472 1.93350 1.94348 1.94674 1.86573 1.88298 1.88828 1.00883 -1.10490 3.11645 -1.00508 -3.10970 1.11239 2.66733 0.57598 -1.49010 -1.42105 2.77078 0.70471 -3.04673 1.12691 -0.95756 1.01518 -1.09437 3.10435 3.03993 0.93548 -1.13435 -1.01504 -3.11949 1.09387 -1.64068 0.44985 2.50756 1.41480 -2.77785 -0.72014 0.09364 -3.01518 -2.95314 0.22123 -2.55769 0.55326 0.48579 -2.68645 3.04628 0.98370 -1.09571 -1.15416 3.06643 0.98703 0.88490 -1.17769 3.02609 -1.02133 1.09597 -3.06908 1.11780 -3.04808 -0.92994 -3.10764 -0.99035 1.12780 1.01534 3.05952 -1.10287 3.12134 -1.11768 1.00313 -1.11114 0.93303 3.05384 1.99818 -1.17645 -2.03267 1.07588 -0.00766 3.10089 1.10547 -2.05785 -1.13819 1.98167 3.05679 -0.10653 3.01587 -1.17707 0.94142 -1.05713 1.03311 -3.13158 1.03595 3.12619 -1.03851 -0.01287 3.07078 -3.12297 -0.03932 -1.18817 3.00814 0.92412 1.92479 -0.16210 -2.24611 -0.08587 3.03325 3.07794 -0.08613 -0.53954 2.62350 2.66032 -0.45982 -2.13986 2.06938 -0.04203 0.98064 -1.09330 3.07847 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000052 0.000007 0.002445 0.000448 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -6.277895e-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 R39 R40 R41 R42 R43 R44 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 11 13 13 14 14 15 15 16 17 17 17 18 18 18 19 19 19 9 10 12 5 7 8 6 12 13 6 20 21 22 23 9 24 25 10 26 27 28 29 30 31 12 14 17 32 15 18 16 33 16 34 19 35 36 37 38 39 40 41 42 43 1.472 1.474 1.27 1.4808 1.4859 1.489 1.4936 1.4192 1.4273 1.5469 1.1072 1.1157 1.1004 1.0999 1.5383 1.1192 1.1067 1.5363 1.1046 1.1186 1.1118 1.1028 1.1024 1.1115 1.5363 1.5209 1.5545 1.1037 1.3804 1.523 1.3718 1.0977 1.4639 1.0983 1.5224 1.1045 1.1019 1.1054 1.1063 1.1017 1.1064 1.1078 1.1066 1.1032 -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 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 A79 A80 A81 A82 9 5 5 7 6 6 12 3 3 3 6 6 20 4 4 4 5 5 22 3 3 3 9 9 24 3 3 3 10 10 26 1 1 1 7 7 28 1 1 1 8 8 30 12 12 12 14 14 17 2 2 4 4 4 15 11 11 16 13 13 16 14 14 15 11 11 11 35 35 36 13 13 13 38 38 39 16 16 16 41 41 42 1 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 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 10 7 8 8 12 13 13 6 20 21 20 21 21 5 22 23 22 23 23 9 24 25 24 25 25 10 26 27 26 27 27 7 28 29 28 29 29 8 30 31 30 31 31 14 17 32 17 32 32 4 11 11 15 18 18 16 33 33 16 34 34 15 19 19 35 36 37 36 37 37 38 39 40 39 40 40 41 42 43 42 43 43 109.6508 113.4754 112.761 109.8757 114.4587 118.3821 126.9463 110.6399 108.4426 112.307 109.2691 108.8073 107.2819 111.3975 106.9595 110.4444 109.6308 109.8101 108.5148 109.6194 111.7504 109.0816 108.9324 109.3427 108.0739 109.8539 109.7508 110.8924 109.6059 109.2202 107.477 111.271 109.6885 105.5119 109.33 111.2389 109.7373 111.1622 105.4266 109.6528 111.1908 109.577 109.7551 109.6319 113.3864 103.2099 114.2896 108.0334 107.5384 120.1005 120.8724 119.0002 125.111 115.9235 118.9424 124.1512 116.7263 119.1112 129.1406 115.052 115.7321 122.6498 121.1279 116.2108 109.3042 112.3032 110.3185 107.9406 108.1984 108.6637 112.8375 109.535 111.3969 107.3856 107.4981 107.9914 110.7814 111.35 111.5388 106.8986 107.8906 108.1913 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 10 10 10 9 9 9 7 7 7 8 8 8 5 5 5 8 8 8 5 5 5 7 7 7 12 12 12 13 13 13 6 6 13 13 6 6 12 12 3 3 3 20 20 20 21 21 21 3 3 3 24 24 24 25 25 25 3 3 3 26 26 26 27 27 27 14 14 17 17 32 32 12 12 17 17 32 32 12 12 12 14 14 14 32 32 32 4 4 18 18 4 4 4 15 15 15 11 11 33 33 13 13 34 34 14 14 14 15 15 1 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 16 9 9 9 10 10 10 5 5 5 5 5 5 7 7 7 7 7 7 8 8 8 8 8 8 6 6 6 6 6 6 12 12 12 12 13 13 13 13 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 14 14 14 14 14 14 17 17 17 17 17 17 17 17 17 15 15 15 15 18 18 18 18 18 18 16 16 16 16 16 16 16 16 19 19 19 19 19 7 28 29 8 30 31 6 20 21 6 20 21 9 24 25 9 24 25 10 26 27 10 26 27 5 22 23 5 22 23 2 11 2 11 15 18 15 18 4 22 23 4 22 23 4 22 23 1 28 29 1 28 29 1 28 29 1 30 31 1 30 31 1 30 31 2 4 2 4 2 4 16 33 16 33 16 33 35 36 37 35 36 37 35 36 37 16 34 16 34 38 39 40 38 39 40 15 19 15 19 14 19 14 19 41 42 43 41 42 57.7968 -63.3054 178.5596 -57.5832 -178.1755 63.7339 152.8348 33.0104 -85.3689 -81.4203 158.7553 40.3761 -174.5631 64.5684 -54.868 58.1703 -62.6982 177.8655 174.1702 53.5928 -65.0017 -58.1653 -178.7427 62.6628 -94.005 25.779 143.6827 81.0614 -159.1546 -41.2509 5.3413 -172.7858 -169.2262 12.6468 -146.5131 31.7116 27.8657 -153.9096 174.53 56.3404 -62.7927 -66.143 175.6674 56.5343 50.6978 -67.4918 173.3751 -58.5215 62.7903 -175.8575 64.038 -174.6502 -53.298 -178.0566 -56.7448 64.6074 58.1812 175.3109 -63.1804 178.8461 -64.0242 57.4846 -63.6499 53.4798 174.9885 114.4928 -67.3951 -116.4506 61.6615 -0.4265 177.6856 63.3417 -117.8964 -65.2187 113.5432 175.1368 -6.1013 172.7738 -67.4606 53.9204 -60.5877 59.1779 -179.4411 59.3343 179.0999 -59.5191 -0.7455 175.9295 -178.921 -2.2459 -68.0922 172.341 52.9329 110.2483 -9.3185 -128.7266 -4.9161 173.8049 176.3497 -4.9294 -30.9215 150.2988 152.4223 -26.3574 -122.6596 118.5142 -2.4591 56.14 -62.6861 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 0 0 0 240.17269999999985 AuxInfo=1/0/N:19,17,18,5,6,7,8,9,10,14,15,16,11,13,12,3,4,2,1/E:(6,7)(8,9)/CRV:10.3,11.3,12.3,14.3,15.3,18.1/rA:43OO1NNCCCCCCCC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s3;s4s5;s3;s3;s1s7;s1s8;;s2s4s11;s4;s11;s13;s14s15;s11;s13;s16;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s14;s15;s17;s17;s17;s18;s18;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.910479 0.000000 2.858757 4.536646 0.000000 6.597708 2.266613 3.781826 0.000000 4.263048 3.479696 1.498367 2.493550 0.000000 5.213419 2.668339 2.452606 1.495900 1.544191 0.000000 2.450755 5.810028 1.500920 4.903880 2.469624 3.761846 0.000000 2.449615 4.484986 1.501286 4.476897 2.471103 3.125385 2.452944 0.000000 1.441541 6.954336 2.464706 6.179881 3.810758 4.873522 1.537704 2.868685 0.000000 1.443237 5.919239 2.466725 5.855247 3.812258 4.413469 2.872032 1.535945 2.395952 0.000000 8.781555 2.400839 6.099013 2.564081 4.724428 3.905044 7.177993 6.484002 8.522354 7.960254 0.000000 7.310333 1.220930 4.660628 1.419748 3.377702 2.475926 5.842228 4.986855 7.112283 6.444919 1.529495 0.000000 7.303313 3.605481 4.450335 1.430775 3.171310 2.508779 5.296655 5.462255 6.623945 6.754534 3.041322 2.535048 0.000000 9.038900 3.395174 6.360544 3.089604 4.877319 4.466727 7.181450 6.914663 8.643022 8.427276 1.497675 2.471633 3.109005 0.000000 8.263506 4.261946 5.455001 2.465591 4.069462 3.703391 6.103272 6.475522 7.530230 7.828103 3.007389 3.093725 1.352289 2.476988 0.000000 8.814642 4.133553 6.091001 3.054561 4.605284 4.387350 6.720716 6.908612 8.217723 8.368102 2.516268 3.060020 2.522025 1.345476 1.459991 0.000000 9.663811 3.439649 6.901704 3.148466 5.605968 4.509329 8.042920 7.393684 9.322772 8.782225 1.528770 2.532488 3.260991 2.535168 3.269851 3.192832 0.000000 7.242672 4.709046 4.511860 2.479247 3.607328 2.905397 5.272993 5.702469 6.404455 6.755475 4.391990 3.775691 1.502254 4.571333 2.472014 3.871874 4.271898 0.000000 9.489811 5.438560 6.918147 4.397089 5.475106 5.582660 7.272006 7.803560 8.802010 9.235223 3.892600 4.462390 3.728525 2.478997 2.496385 1.500377 4.569857 4.895845 0.000000 4.777066 4.182998 2.144442 2.701900 1.111008 2.186216 2.552124 3.406345 4.015012 4.593022 4.914652 3.784683 2.847207 4.793495 3.556039 4.223337 5.720454 3.176198 4.902351 0.000000 4.556253 3.141277 2.196348 2.764120 1.111834 2.189521 2.956297 2.644270 4.321043 4.118536 4.482216 3.214256 3.598774 4.524830 4.253623 4.426710 5.612432 4.380451 5.207600 1.778029 0.000000 5.178110 2.213169 2.756291 2.135116 2.195960 1.118701 4.215933 2.858243 5.144432 4.134338 4.039601 2.525164 3.416277 4.853847 4.566380 5.055990 4.689180 3.881887 6.318943 3.113277 2.520951 0.000000 5.269582 3.594218 2.635066 2.155794 2.198873 1.109736 3.887100 3.484874 4.797275 4.487005 4.628392 3.312350 2.733395 5.237027 4.057743 5.017304 4.926377 2.518706 6.209133 2.593974 3.115097 1.782082 0.000000 2.758677 5.906397 2.188278 5.227883 2.771564 4.250645 1.111297 2.765205 2.180176 3.319015 7.254562 5.993752 5.661145 7.111196 6.291108 6.688121 8.284154 5.881500 7.087568 2.829957 2.841112 4.650791 4.615820 0.000000 3.403928 6.168914 2.131775 4.872100 2.689487 3.909812 1.110163 3.411820 2.179421 3.863244 7.205601 5.980005 4.957537 7.084868 5.678700 6.432669 7.961760 4.762845 6.884642 2.312433 3.343887 4.608761 3.887919 1.790939 0.000000 3.407128 3.795463 2.133030 4.095219 2.688378 2.772479 3.413020 1.111586 3.863445 2.182562 5.953383 4.436413 5.255502 6.603070 6.347402 6.762268 6.780987 5.551754 7.820828 3.759124 2.850414 2.147018 3.159925 3.780564 4.244120 0.000000 2.762087 4.506289 2.188225 4.798388 2.770238 3.656861 2.766779 1.111769 3.320389 2.180680 6.516454 5.099770 5.822904 6.819084 6.672236 6.885026 7.607839 6.291335 7.662582 3.662861 2.488250 3.372067 4.257386 2.615313 3.782157 1.786206 0.000000 2.081397 7.232606 2.761925 6.285419 4.139823 4.933431 2.199878 3.308106 1.104308 2.683365 8.750065 7.328146 6.651092 8.970047 7.658242 8.507741 9.387470 6.197494 9.180034 4.311443 4.861135 5.230761 4.608901 3.108738 2.509982 4.111479 4.023970 0.000000 1.995349 7.883906 3.442912 7.076931 4.657817 5.847823 2.205989 3.827053 1.103755 3.283479 9.375390 8.012839 7.423943 9.369494 8.221549 8.869235 10.224074 7.204544 9.302538 4.708209 5.067930 6.173294 5.801988 2.478210 2.612314 4.876099 4.073463 1.813908 0.000000 1.995985 6.320529 3.444459 6.600636 4.658672 5.203638 3.828300 2.205008 3.282488 1.103931 8.511779 7.008867 7.616961 9.034831 8.671749 9.099079 9.392767 7.720258 9.975887 5.517376 4.776879 4.743136 5.373090 4.068538 4.874551 2.616587 2.476927 3.640820 3.989862 0.000000 2.082074 6.202630 2.768308 5.957562 4.145857 4.464308 3.315532 2.200022 2.685149 1.104080 8.184197 6.658221 6.791606 8.757991 7.968365 8.663843 8.832173 6.579515 9.617890 4.880439 4.678354 4.198929 4.275941 4.026320 4.114950 2.516006 3.109875 2.498382 3.641462 1.813616 0.000000 9.222390 2.458174 6.692263 3.440637 5.382445 4.597763 7.814072 6.850371 9.119012 8.327364 1.127913 2.125307 4.125648 2.142439 4.098842 3.403783 2.156864 5.465610 4.615383 5.717606 4.978172 4.490580 5.400778 7.810509 7.966785 6.239859 6.773409 9.407455 9.979799 8.750599 8.612642 0.000000 9.658880 3.926815 7.102439 4.059748 5.632301 5.351547 7.865837 7.535322 9.339044 9.068064 2.185240 3.247730 4.174481 1.088093 3.465095 2.123297 3.259867 5.645828 2.705896 5.585823 5.106410 5.634658 6.202996 7.666499 7.829520 7.238041 7.299567 9.755133 10.020417 9.595217 9.489228 2.310578 0.000000 8.889228 5.341437 6.129685 3.435474 4.837990 4.549182 6.623700 7.281833 8.018310 8.557761 3.972007 4.163954 2.107307 3.331818 1.093607 2.150399 3.980703 2.646962 2.654528 4.148527 5.125964 5.491241 4.720360 6.850977 6.037154 7.226433 7.525799 8.081403 8.639870 9.461900 8.643714 5.059054 4.224009 0.000000 10.704782 4.323434 7.941552 4.179895 6.603357 5.578548 9.039137 8.426455 10.356220 9.838627 2.169476 3.481729 4.152747 2.811977 3.874579 3.544469 1.097389 5.161420 4.712267 6.660352 6.535620 5.755146 6.010831 9.224937 8.930544 7.820274 8.580069 10.446264 11.232695 10.428483 9.915760 2.477542 3.261134 4.433562 0.000000 9.533290 3.953098 6.704384 2.967545 5.426629 4.340488 7.766750 7.397746 9.043477 8.736421 2.194039 2.870209 2.641994 2.814139 2.640211 2.984561 1.096600 3.441645 4.333602 5.374002 5.610428 4.743869 4.574393 8.092655 7.548330 6.872850 7.711245 9.029633 9.921583 9.452033 8.713737 3.097198 3.722285 3.169163 1.761566 0.000000 9.662845 3.388703 6.989315 3.416519 5.836255 4.550855 8.256660 7.345904 9.424086 8.656792 2.182686 2.757822 3.787111 3.483367 4.109872 4.191526 1.096021 4.593527 5.616092 6.109892 5.907483 4.524678 4.870012 8.579572 8.260451 6.602421 7.641926 9.419603 10.390179 9.211294 8.622522 2.506101 4.161446 4.836838 1.771478 1.773416 0.000000 6.413328 5.083496 3.817466 2.894007 3.148554 2.823585 4.391056 5.151905 5.462113 6.078052 5.140182 4.302905 2.166436 5.229397 3.114625 4.455320 5.232281 1.100623 5.319680 2.586861 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0.000000 1.474021 5.540554 2.476048 5.839926 3.814865 4.458046 2.870591 1.536258 2.408065 0.000000 8.680220 2.444527 6.025437 2.547272 4.717052 3.875637 7.178769 6.282189 8.480425 7.744724 0.000000 7.174706 1.270015 4.539252 1.419188 3.316940 2.449510 5.767083 4.772211 7.005014 6.221258 1.536347 0.000000 7.502069 3.669085 4.596281 1.427258 3.252240 2.508874 5.491187 5.531841 6.831746 6.864806 3.040971 2.546789 0.000000 9.080390 3.438013 6.403812 3.115808 4.971838 4.508694 7.320549 6.825540 8.752587 8.347049 1.520944 2.498756 3.133099 0.000000 8.525914 4.331719 5.656463 2.491747 4.222230 3.750809 6.394445 6.572483 7.831851 7.976412 3.017442 3.122159 1.380372 2.488335 0.000000 9.055720 4.230900 6.289627 3.125527 4.808930 4.491562 7.026206 6.989655 8.514534 8.484276 2.556917 3.128775 2.568945 1.371837 1.463895 0.000000 9.616045 3.532393 6.881864 3.157326 5.625605 4.477803 8.098854 7.238292 9.337627 8.610754 1.554488 2.583160 3.304485 2.583564 3.323673 3.245886 0.000000 7.522271 4.813645 4.710198 2.501460 3.663210 2.897872 5.480395 5.859831 6.660924 6.974419 4.432184 3.825302 1.523033 4.619665 2.501967 3.916890 4.363142 0.000000 9.928210 5.576532 7.275219 4.526039 5.819342 5.778588 7.777303 8.039857 9.308290 9.525504 3.952197 4.571283 3.820696 2.521653 2.535581 1.522357 4.613289 4.968133 0.000000 4.803603 4.181395 2.110939 2.808638 1.107211 2.179296 2.535920 3.386878 3.993941 4.576365 5.067267 3.850702 3.039466 5.059972 3.863281 4.595884 5.903941 3.257501 5.421104 0.000000 4.624920 2.936432 2.166043 2.683025 1.115693 2.179575 2.987813 2.635036 4.353196 4.121731 4.368350 3.051475 3.549731 4.494787 4.260752 4.498556 5.527537 4.333715 5.432516 1.790150 0.000000 5.182627 2.235666 2.710930 2.097738 2.178911 1.100413 4.169922 2.875940 5.075649 4.094023 3.962607 2.469464 3.371957 4.864933 4.569310 5.129351 4.569810 3.836813 6.490914 3.087807 2.555992 0.000000 5.466914 3.669576 2.764324 2.141981 2.180804 1.099867 3.936429 3.678130 4.888903 4.688054 4.598642 3.309738 2.688339 5.246889 4.047953 5.059555 4.898519 2.457872 6.323418 2.488346 3.090751 1.785856 0.000000 2.768042 5.697009 2.166353 5.287146 2.813469 4.300270 1.119167 2.738453 2.176238 3.303848 7.260679 5.922970 5.834236 7.246050 6.558516 6.984231 8.345890 6.052277 7.592573 2.848247 2.908124 4.666366 4.673759 0.000000 3.432686 6.036604 2.123245 4.966977 2.691812 3.912413 1.106741 3.394559 2.172322 3.862031 7.299026 5.973575 5.207734 7.323974 6.055229 6.830786 8.115271 4.992165 7.489498 2.291539 3.367237 4.538967 3.870265 1.801655 0.000000 3.432417 3.406166 2.132785 4.045608 2.681456 2.850096 3.397546 1.104613 3.862085 2.172347 5.681431 4.177790 5.286014 6.435542 6.379003 6.762549 6.553107 5.700398 7.952353 3.745146 2.803632 2.190645 3.412555 3.751447 4.234312 0.000000 2.766489 4.171236 2.157799 4.777607 2.793913 3.748604 2.725863 1.118574 3.294134 2.177773 6.319599 4.897399 5.864132 6.710016 6.730202 6.935194 7.461662 6.405026 7.863916 3.649336 2.511078 3.485178 4.438761 2.551443 3.740727 1.792633 0.000000 2.122661 6.944399 2.739007 6.295975 4.089179 4.887858 2.175957 3.277834 1.111841 2.683923 8.670834 7.184106 6.836044 9.051785 7.942949 8.778988 9.362294 6.447495 9.658194 4.239260 4.836328 5.065704 4.643991 3.095708 2.481061 4.083696 3.983583 0.000000 2.061801 7.639892 3.438446 7.118686 4.658312 5.853123 2.193495 3.849230 1.102753 3.335359 9.353509 7.915452 7.611323 9.501544 8.518487 9.180344 10.254906 7.410415 9.840020 4.661738 5.114401 6.110681 5.841070 2.484070 2.556640 4.893743 4.080641 1.811180 0.000000 2.062193 5.849182 3.441374 6.524161 4.649832 5.219270 3.850155 2.190863 3.333753 1.102442 8.188317 6.701396 7.660003 8.852516 8.741954 9.128789 9.101780 7.886939 10.184828 5.497931 4.771138 4.685360 5.552450 4.085223 4.892199 2.552910 2.486719 3.671699 4.112664 0.000000 2.123693 5.809813 2.750216 5.903730 4.092698 4.442747 3.289082 2.177083 2.687363 1.111458 7.936973 6.404844 6.877713 8.655049 8.097227 8.755871 8.621775 6.788054 9.880839 4.814672 4.629184 4.055820 4.433487 3.997520 4.086783 2.490641 3.098434 2.482051 3.673361 1.810810 0.000000 8.978479 2.440297 6.512435 3.390258 5.307004 4.529298 7.705370 6.528675 8.948967 7.969621 1.103664 2.086478 4.094245 2.137906 4.081809 3.419895 2.160671 5.477103 4.655993 5.802346 4.811529 4.384901 5.345401 7.712047 7.957877 5.845659 6.464705 9.198437 9.838290 8.272477 8.224799 0.000000 9.653123 3.962972 7.117109 4.094440 5.721412 5.404780 7.978498 7.408936 9.414481 8.941367 2.240551 3.284489 4.201374 1.097749 3.473501 2.133607 3.335084 5.695406 2.716478 5.845332 5.078534 5.671759 6.225530 7.773795 8.048623 7.032417 7.148384 9.806330 10.125404 9.359903 9.345545 2.359776 0.000000 9.162910 5.410768 6.317050 3.432203 4.945534 4.544524 6.907310 7.374118 8.329007 8.716027 4.027421 4.197287 2.096568 3.394980 1.098294 2.178377 4.094338 2.604873 2.692783 4.390854 5.100341 5.449677 4.642267 7.107334 6.407695 7.257780 7.573215 8.383544 8.942023 9.548965 8.786941 5.093544 4.287374 0.000000 10.650583 4.392220 7.926383 4.191233 6.634469 5.554550 9.113423 8.254199 10.385458 9.648976 2.184379 3.519887 4.205392 2.840321 3.931491 3.577124 1.104494 5.269310 4.716770 6.872576 6.452239 5.641037 5.990839 9.300762 9.119182 7.565338 8.408561 10.441012 11.284572 10.104132 9.692769 2.479409 3.316055 4.577799 0.000000 9.600789 4.063288 6.768357 2.988866 5.489842 4.322155 7.908943 7.337231 9.162701 8.680180 2.220549 2.931727 2.704571 2.874747 2.715669 3.047075 1.101933 3.544660 4.384107 5.595134 5.562479 4.631328 4.542594 8.235219 7.782545 6.743138 7.650870 9.112595 10.048658 9.286526 8.619585 3.099445 3.801666 3.300074 1.784365 0.000000 9.519950 3.471292 6.900812 3.420350 5.800901 4.489578 8.227394 7.122439 9.342055 8.397181 2.198082 2.798988 3.839109 3.527622 4.176331 4.254073 1.105364 4.707721 5.674030 6.227661 5.782285 4.357006 4.840717 8.560539 8.325358 6.315060 7.441159 9.292834 10.322322 8.825859 8.318902 2.496449 4.231161 4.957484 1.790059 1.793227 0.000000 6.721994 5.116564 4.027397 2.889350 3.177565 2.779822 4.607667 5.329115 5.741513 6.330455 5.158217 4.304625 2.202611 5.287305 3.196542 4.547447 5.302116 1.106318 5.479424 2.599849 4.014176 3.805256 2.204011 5.247792 4.011559 5.352277 5.911989 5.506478 6.431778 7.314541 6.143097 6.154494 6.319087 3.277452 6.250888 4.571843 5.603741 0.000000 8.463699 5.732822 5.687791 3.419720 4.623559 3.979165 6.311609 6.898449 7.507062 8.002617 4.974541 4.641572 2.157636 4.944997 2.571479 4.028888 4.745695 1.101665 4.844975 4.058966 5.235632 4.925804 3.544383 6.842272 5.696127 6.784064 7.403512 7.283553 8.172876 8.939265 7.815725 6.065606 5.993473 2.203663 5.498975 3.779921 5.217894 1.779314 0.000000 7.689015 4.874776 4.959283 2.760525 4.087950 2.989230 5.894323 5.983876 6.917265 6.994749 4.611361 3.977063 2.184755 5.113460 3.287788 4.628523 4.278712 1.106363 5.819462 3.915507 4.835271 3.707768 2.324774 6.586672 5.499537 5.676153 6.662325 6.568441 7.752865 7.870814 6.660066 5.592178 6.209354 3.467238 5.225892 3.471015 4.379261 1.784384 1.786238 0.000000 10.730929 6.404909 8.012872 5.122930 6.560497 6.407716 8.497588 8.878887 10.016786 10.338019 4.578186 5.299081 4.178116 3.263841 2.800977 2.177470 4.910954 5.100787 1.107756 6.070599 6.307686 7.176292 6.807236 8.392548 8.101643 8.780764 8.786710 10.287253 10.536665 11.050304 10.616651 5.351917 3.529040 2.550792 4.903646 4.506547 5.995873 5.694860 4.742927 5.931366 0.000000 9.442064 5.847886 6.911258 4.706107 5.520035 5.757226 7.217061 7.752344 8.753634 9.194176 4.620129 4.929959 3.998445 3.246077 2.856419 2.183769 5.427388 5.025645 1.106625 4.986909 5.128900 6.553877 6.293389 6.953614 6.874216 7.816770 7.523449 9.164321 9.186227 9.889731 9.605098 5.334992 3.450739 2.922215 5.670331 5.150453 6.434958 5.321639 4.919114 5.996663 1.778879 0.000000 10.488359 5.838072 7.928003 5.195763 6.484390 6.470750 8.450532 8.543819 9.979959 10.057056 4.156656 4.961427 4.698822 2.641143 3.477556 2.183563 4.925127 5.956779 1.103247 6.198077 5.942091 7.066415 7.125699 8.165150 8.261404 8.420178 8.256319 10.403775 10.508525 10.628789 10.486613 4.628219 2.369421 3.749974 4.850080 4.910273 5.987993 6.482880 5.894323 6.753054 1.787498 1.789990 0.000000 0.7332582 0.1698039 0.1590065 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= 232 232 233 233 233 MxSgAt= 43 MxSgA2= 43. 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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 43 43 43 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= 13203 NPrTT= 66174 LenC2= 11651 LenP2D= 36863. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 238 RedAO= T EigKep= 1.42D-03 NBF= 238 NBsUse= 238 1.00D-06 EigRej= -1.00D+00 NBFU= 238 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= 230 231 231 232 233 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 0 1 -844.373298483642 -844.370417015965 0.002881467677 -844.623026351810 -0.252609335845 -844.668882919899 -0.045856568089 -844.768993303673 -0.100110383774 -844.771490920542 -0.002497616869 -844.772087271469 -0.000596350927 -844.772207703132 -0.000120431663 -844.772214057159 -0.000006354027 -844.772247561004 -0.000033503845 -844.772249887604 -0.000002326600 -844.772249471832 0.000000415771 -844.772250036524 -0.000000564692 -844.772250072218 -0.000000035694 -844.772250073335 -0.000000001117 -844.772250073489 -0.000000000154 -844.772250073549 -0.000000000060 -844.772250073587 -0.000000000038 -844.772250074 18 8.411521179490e+02 -4.962274576242e+03 1.779160005172e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 191424 IEndB= 191424 NGot= 402653184 MDV= 402535283 LenX= 402535283 LenY= 402478198 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. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. -8.25130369e-01 -1.15749103e+00 6.85776063e-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 40 41 42 43 8 8 7 7 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 0.014744036 0.000252777 -0.012545780 0.032613987 0.053734415 -0.031549688 -0.004919903 -0.007032503 -0.017269251 -0.006792233 -0.006008438 0.004130161 0.004947579 0.001914267 0.011613005 -0.003663276 0.008064970 0.001600761 0.000708913 -0.000679709 0.011714458 -0.002094825 0.005383688 0.012245136 0.001421500 -0.009428879 -0.005776747 0.000932652 0.008224766 -0.006442352 -0.000997343 0.012954135 -0.002347745 -0.018170737 -0.034896719 0.020195954 0.013544093 0.011573443 0.007613174 -0.003326376 0.016829106 -0.009355962 -0.016148583 -0.004911076 -0.009734050 0.002708767 -0.015900813 0.001904942 -0.007130911 0.000133761 0.009826817 0.005134515 -0.003542451 0.008677113 -0.004337847 -0.006786274 -0.005994000 0.003106289 0.002099540 0.002166547 0.001419406 0.002102869 -0.001554661 -0.006855281 -0.010216486 0.000111773 -0.001553802 -0.003402823 -0.005658077 0.000159449 0.002016749 -0.003636965 0.000706202 0.001907858 -0.000256327 0.003075313 -0.002541515 -0.001054921 -0.000044050 -0.003460272 -0.002822747 -0.003343744 -0.003001908 0.005084980 -0.003757059 -0.005173269 0.004000460 -0.004583505 0.005058044 0.003287020 -0.003495050 0.003349500 0.004604004 0.006721133 -0.010835454 0.007882735 -0.001871851 -0.003810749 -0.007167515 0.003091308 -0.002622422 0.003785256 -0.004842950 0.000889310 -0.001769519 0.001143644 -0.002632595 0.001929973 0.002154337 0.005521524 0.002132642 0.004403323 -0.001269047 0.000808898 -0.003100285 -0.002211269 -0.002044456 0.000910391 0.003511410 0.001561217 -0.003929716 -0.004514806 0.003012727 0.003197780 -0.003555452 0.000169936 -0.001885290 0.002912800 -0.003078923 0.053734415 0.009451272 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -844.786283994243 -844.786308198008 -0.000024203766 -844.786307755154 0.000000442854 -844.786308323147 -0.000000567993 -844.786308350991 -0.000000027844 -844.786308356087 -0.000000005096 -844.786308357480 -0.000000001393 -844.786308357496 -0.000000000015 -844.786308357506 -0.000000000010 -844.786308358 9 8.405437058276e+02 -4.937959592632e+03 1.767346717219e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 191424 IEndB= 191424 NGot= 402653184 MDV= 402535283 LenX= 402535283 LenY= 402478198 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. Fock matrices will be formed incrementally for 20 cycles. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.754095 -18.732967 -14.045438 -13.993906 -9.997387 -9.957501 -9.936305 -9.934173 -9.928548 -9.922509 -9.921575 -9.916088 -9.915504 -9.914743 -9.907737 -9.903313 -9.900857 -9.893432 -9.886235 -0.948014 -0.927343 -0.865434 -0.837876 -0.756200 -0.722006 -0.700034 -0.694661 -0.679237 -0.636127 -0.617121 -0.614784 -0.583336 -0.577267 -0.566964 -0.547590 -0.501150 -0.499305 -0.472905 -0.447462 -0.433585 -0.425987 -0.416547 -0.412599 -0.408630 -0.406029 -0.398275 -0.384835 -0.379110 -0.378404 -0.375241 -0.368676 -0.361557 -0.355112 -0.352112 -0.346255 -0.344482 -0.341674 -0.335959 -0.323050 -0.316918 -0.316733 -0.310351 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1.222231 1.286206 1.141405 1.177078 1.196859 1.267107 1.209875 1.244656 1.256510 1.351251 1.125307 1.163336 1.289841 1.431155 1.400148 1.292882 1.262088 1.513722 1.324080 1.315518 1.477871 1.203921 1.254043 1.395110 1.518328 1.447738 2.025239 1.524971 2.171805 2.232407 1.680501 1.692143 1.563179 2.019177 1.641315 1.869916 1.128082 1.420702 1.086653 1.175250 1.283697 1.255833 1.235118 1.375209 1.186707 1.394363 1.167508 1.466806 1.309639 1.198747 1.243288 1.157312 1.286881 1.247715 1.262632 1.201738 1.188929 1.306715 1.238744 1.230571 1.449308 1.151155 1.397444 1.291762 1.275358 1.336955 1.422435 1.664297 1.279472 1.386419 1.545213 1.311259 1.351278 1.508519 1.469987 1.603102 1.219387 1.499834 1.306080 1.363478 1.526626 1.662461 1.902570 1.591702 1.867875 1.934388 1.781338 1.881367 1.901229 2.014237 1.625438 1.996078 1.368351 1.558662 2.047653 2.248360 2.157777 2.388253 1.836568 1.868595 2.381636 2.157567 2.128210 1.856584 2.201431 1.994587 2.050613 2.189762 1.976825 1.947852 2.117131 1.855896 1.954149 2.377629 2.211986 2.395733 2.388343 2.390896 2.192690 1.947261 2.888405 1.995647 2.011555 2.341302 2.395628 2.213539 2.297109 2.512521 2.304343 2.461513 2.660541 2.696944 2.840995 2.915991 2.979424 2.927300 2.851888 2.856888 2.897168 2.940037 2.899847 2.788623 2.820842 2.903102 3.047344 3.007869 2.836876 2.817961 2.804994 2.848545 2.729409 2.580334 2.868229 2.605316 2.634073 2.700235 2.671933 2.637203 2.656782 2.806757 2.718163 2.759302 2.879856 2.631221 2.756290 2.750187 2.663778 2.700564 2.688165 2.762767 2.771706 2.732811 3.092587 3.253328 2.883938 4.194727 3.826729 5.159294 4.944637 57.407515 57.402468 57.404945 57.406143 57.410176 57.410765 57.381064 57.396281 57.390533 57.392689 57.387291 57.388639 57.390306 57.401622 57.385905 80.072194 80.071913 105.847438 105.843968 8.405437058276D+02 PT6345.500S 2018-04-25T05:39:18.000+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 40 41 42 43 O O N N 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 -0.235066 -0.226625 -0.102727 -0.225080 -0.360588 -0.416760 -0.349145 -0.325821 -0.321389 -0.332770 -0.225417 0.131059 0.414779 -0.372610 -0.474277 0.423626 -0.725357 -0.826739 -0.828512 0.214252 0.228079 0.264492 0.243678 0.198031 0.206594 0.211314 0.202915 0.193162 0.212142 0.214897 0.195314 0.236258 0.243202 0.217584 0.227641 0.238721 0.227359 0.242172 0.240087 0.237911 0.224884 0.228329 0.230401 0.00000 -9.95750 -9.93631 -9.93417 -9.92855 -9.92251 -9.92158 -9.91609 -9.91550 -9.91474 -9.90774 -9.90331 -9.90086 -9.89343 -9.88623 -0.94801 -0.92734 -0.86543 -0.83788 -0.75620 -0.72201 -0.70003 -0.69466 -0.67924 -0.63613 -0.61712 -0.61478 -0.58334 -0.57727 -0.56696 -0.54759 -0.50115 -0.49930 -0.47290 -0.44746 -0.43358 -0.42599 -0.41655 -0.41260 -0.40863 -0.40603 -0.39828 -0.38484 -0.37911 -0.37840 -0.37524 -0.36868 -0.36156 -0.35511 -0.35211 -0.34625 -0.34448 -0.34167 -0.33596 -0.32305 -0.31692 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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 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 N 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 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S 1.13243 0.85935 0.95010 0.90127 1.20168 0.94890 1.24974 0.41832 0.15781 0.42739 1.13251 0.85919 0.97089 0.86513 1.22361 1.09541 1.06029 0.35897 0.33412 0.36221 1.15940 0.83091 0.82937 0.75409 0.90210 0.90362 1.20377 0.07775 0.04739 0.38678 1.15923 0.83098 0.82040 0.74843 0.96201 1.01048 1.09868 0.11687 0.16187 0.28825 1.17434 0.81417 0.73482 0.62341 0.79014 0.92203 0.91757 0.02106 0.14830 0.19901 1.17431 0.81411 0.73357 0.66738 0.73814 0.96906 0.93001 0.04559 0.19358 0.16258 1.17434 0.81420 0.73469 0.60682 0.86287 0.84319 0.92711 0.06254 0.12183 0.20102 1.17432 0.81419 0.73394 0.61364 0.89127 0.84591 0.90187 0.06189 0.11810 0.18087 1.17441 0.81415 0.74447 0.61061 0.88805 0.79098 0.90648 0.11531 0.10240 0.16621 1.17441 0.81415 0.74434 0.61504 0.84072 0.80198 0.94360 0.08801 0.10975 0.19060 1.17428 0.81403 0.72244 0.64272 0.84078 0.91304 0.89142 0.03865 0.12718 0.06264 1.17461 0.81395 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0.51097 0.26300 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 40 41 42 43 O O N N 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 -0.247002 -0.262330 -0.095151 -0.197204 -0.344859 -0.428341 -0.348618 -0.335996 -0.313071 -0.322616 -0.227168 0.134151 0.381263 -0.369264 -0.445310 0.437944 -0.714710 -0.809350 -0.812332 0.202407 0.229747 0.263512 0.244254 0.192823 0.206687 0.221558 0.199283 0.189392 0.212451 0.215811 0.191239 0.242392 0.231621 0.201404 0.225552 0.236838 0.223228 0.237884 0.236454 0.238661 0.220740 0.229992 0.226032 0.00000 -1.02121517e+00 -1.22185892e+00 8.90932761e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -2.5957 -3.1057 2.2645 4.6380 -125.0194 -113.1071 -113.8855 0.4491 5.3617 1.2032 -7.6821 4.2302 3.4518 0.4491 5.3617 1.2032 -153.2028 -3.3100 9.4155 9.8406 -4.8057 19.5994 -18.9238 0.1016 10.5501 0.7166 -8183.6335 -1353.8071 -832.1124 -117.1930 382.9848 -31.6905 44.4603 126.0418 28.3367 -1261.9274 -1370.5089 -360.0886 -4.6313 11.7038 -5.5243 0 -844.7863084 4.629E-9 1.35E-5 -5.7114293,3.1450659,2.5663634,0.3338593,3.986322,0.894525 C01 [X(C15H24N2O2)] -1.0212152 -1.2218589 0.8909328 @ -0.000004472 0.000011518 -0.000010100 -0.000039763 -0.000033902 0.000010524 0.000002005 0.000001790 -0.000019826 -0.000021624 -0.000016546 0.000019177 0.000036198 0.000011430 -0.000000099 0.000033245 -0.000005613 0.000019387 0.000000412 0.000015515 0.000009908 -0.000003839 -0.000033079 0.000004885 -0.000014671 -0.000026888 0.000024506 -0.000002992 0.000007687 0.000011691 0.000005972 0.000000456 -0.000011409 0.000028976 0.000049656 -0.000046707 0.000030427 -0.000013939 -0.000000659 -0.000016396 -0.000018676 -0.000013773 -0.000006124 -0.000000755 0.000000155 0.000017244 0.000015484 0.000022219 0.000009756 0.000005074 -0.000017126 -0.000014933 0.000004697 -0.000031809 0.000007141 0.000000312 0.000006836 -0.000003074 0.000000997 -0.000000632 -0.000007107 -0.000000210 -0.000003389 -0.000010601 -0.000006968 0.000001490 -0.000007277 0.000019810 0.000006084 0.000004588 -0.000009415 0.000002085 -0.000005688 -0.000001542 0.000001879 -0.000006524 0.000004421 -0.000007780 0.000000307 0.000006078 -0.000001288 0.000005187 0.000004591 -0.000003771 0.000002685 0.000005078 -0.000000665 -0.000000388 -0.000003722 -0.000010086 0.000001420 0.000002098 -0.000008067 -0.000000571 0.000001596 -0.000005700 -0.000000115 -0.000000159 0.000005852 -0.000003565 0.000005125 0.000002828 -0.000002173 -0.000004075 0.000001051 -0.000002184 0.000000470 0.000001353 -0.000003585 -0.000000339 -0.000003422 -0.000001754 0.000006622 0.000007666 0.000005103 0.000006103 0.000010487 -0.000002032 0.000007732 0.000012589 -0.000008128 -0.000002656 0.000002555 -0.000003743 -0.000004816 0.000008498 0.000002662 -0.000011044 0.000002602 240.17269999999985 AuxInfo=1/0/N:19,17,18,5,6,7,8,9,10,14,15,16,11,13,12,3,4,2,1/E:(6,7)(8,9)/CRV:10.3,11.3,12.3,14.3,15.3,18.1/rA:43OO1NNCCCCCCCC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s3;s4s5;s3;s3;s1s7;s1s8;;s2s4s11;s4;s11;s13;s14s15;s11;s13;s16;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s14;s15;s17;s17;s17;s18;s18;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2070 CBGUSER 000282178 EM64L-G09RevD.01 25-Apr-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 123 C1[X(C15H24N2O2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 240.17269999999985 0 1 AuxInfo=1/0/N:19,17,18,5,6,7,8,9,10,14,15,16,11,13,12,3,4,2,1/E:(6,7)(8,9)/CRV:10.3,11.3,12.3,14.3,15.3,18.1/rA:43OO1NNCCCCCCCC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s3;s4s5;s3;s3;s1s7;s1s8;;s2s4s11;s4;s11;s13;s14s15;s11;s13;s16;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s14;s15;s17;s17;s17;s18;s18;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-15574.inp" -scrdir="/scratch/" chk=000282178-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 000282178 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 16 16 14 14 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 15.9949146 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 2 2 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 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| 0.000336 0.000071 0.086885 0.026288 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.308896e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1485.2828784697 238 552 238 72 72 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 43 43 43 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 0 0 0 0 240.17269999999985 AuxInfo=1/0/N:19,17,18,5,6,7,8,9,10,14,15,16,11,13,12,3,4,2,1/E:(6,7)(8,9)/CRV:10.3,11.3,12.3,14.3,15.3,18.1/rA:43OO1NNCCCCCCCC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s3;s4s5;s3;s3;s1s7;s1s8;;s2s4s11;s4;s11;s13;s14s15;s11;s13;s16;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s14;s15;s17;s17;s17;s18;s18;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.609028 0.000000 2.906334 4.300449 0.000000 6.656705 2.331286 3.810870 0.000000 4.318299 3.365048 1.480804 2.511893 0.000000 5.298737 2.689616 2.490111 1.493575 1.546923 0.000000 2.485149 5.600668 1.485946 4.961807 2.480703 3.783932 0.000000 2.483510 4.133874 1.488960 4.452621 2.473024 3.187303 2.435049 0.000000 1.471982 6.694503 2.471716 6.231890 3.818771 4.896252 1.538287 2.865940 0.000000 1.474021 5.540554 2.476048 5.839926 3.814864 4.458046 2.870591 1.536258 2.408064 0.000000 8.680220 2.444527 6.025437 2.547272 4.717053 3.875637 7.178769 6.282189 8.480425 7.744724 0.000000 7.174706 1.270015 4.539252 1.419188 3.316940 2.449510 5.767083 4.772210 7.005013 6.221258 1.536347 0.000000 7.502068 3.669084 4.596280 1.427258 3.252240 2.508874 5.491186 5.531840 6.831746 6.864805 3.040971 2.546789 0.000000 9.080389 3.438012 6.403811 3.115808 4.971838 4.508694 7.320548 6.825540 8.752586 8.347049 1.520944 2.498756 3.133099 0.000000 8.525914 4.331719 5.656462 2.491747 4.222231 3.750809 6.394444 6.572483 7.831850 7.976412 3.017441 3.122159 1.380372 2.488335 0.000000 9.055720 4.230900 6.289626 3.125527 4.808930 4.491562 7.026205 6.989655 8.514533 8.484276 2.556917 3.128775 2.568945 1.371837 1.463895 0.000000 9.616044 3.532393 6.881863 3.157326 5.625606 4.477804 8.098854 7.238292 9.337626 8.610754 1.554488 2.583160 3.304485 2.583564 3.323673 3.245886 0.000000 7.522271 4.813645 4.710199 2.501461 3.663211 2.897872 5.480395 5.859832 6.660924 6.974419 4.432184 3.825302 1.523034 4.619665 2.501967 3.916890 4.363142 0.000000 9.928209 5.576532 7.275219 4.526040 5.819342 5.778588 7.777303 8.039857 9.308290 9.525504 3.952197 4.571283 3.820696 2.521653 2.535582 1.522358 4.613289 4.968133 0.000000 4.803602 4.181395 2.110938 2.808638 1.107210 2.179295 2.535920 3.386877 3.993940 4.576364 5.067267 3.850702 3.039466 5.059972 3.863281 4.595884 5.903941 3.257502 5.421105 0.000000 4.624920 2.936431 2.166043 2.683024 1.115693 2.179575 2.987813 2.635036 4.353196 4.121731 4.368350 3.051474 3.549730 4.494787 4.260751 4.498556 5.527537 4.333716 5.432517 1.790150 0.000000 5.182627 2.235665 2.710931 2.097738 2.178911 1.100413 4.169922 2.875940 5.075649 4.094023 3.962607 2.469463 3.371957 4.864932 4.569310 5.129351 4.569810 3.836814 6.490915 3.087806 2.555992 0.000000 5.466914 3.669575 2.764324 2.141981 2.180804 1.099867 3.936428 3.678131 4.888903 4.688054 4.598642 3.309737 2.688338 5.246889 4.047952 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6.944398 2.739007 6.295975 4.089179 4.887858 2.175957 3.277834 1.111841 2.683922 8.670834 7.184106 6.836043 9.051785 7.942949 8.778988 9.362294 6.447496 9.658194 4.239260 4.836328 5.065704 4.643991 3.095708 2.481061 4.083696 3.983583 0.000000 2.061801 7.639891 3.438446 7.118686 4.658311 5.853123 2.193495 3.849230 1.102753 3.335358 9.353509 7.915451 7.611322 9.501543 8.518487 9.180344 10.254906 7.410415 9.840020 4.661738 5.114401 6.110682 5.841070 2.484069 2.556640 4.893743 4.080640 1.811180 0.000000 2.062193 5.849182 3.441374 6.524160 4.649832 5.219269 3.850155 2.190862 3.333753 1.102442 8.188317 6.701395 7.660002 8.852516 8.741954 9.128789 9.101780 7.886940 10.184828 5.497930 4.771137 4.685360 5.552450 4.085222 4.892198 2.552910 2.486719 3.671699 4.112664 0.000000 2.123693 5.809812 2.750216 5.903730 4.092698 4.442747 3.289082 2.177083 2.687363 1.111458 7.936973 6.404843 6.877712 8.655049 8.097227 8.755871 8.621775 6.788055 9.880839 4.814671 4.629184 4.055820 4.433487 3.997520 4.086783 2.490642 3.098434 2.482051 3.673361 1.810810 0.000000 8.978479 2.440297 6.512435 3.390257 5.307005 4.529298 7.705370 6.528675 8.948966 7.969621 1.103664 2.086478 4.094245 2.137905 4.081808 3.419895 2.160671 5.477103 4.655993 5.802346 4.811528 4.384901 5.345400 7.712046 7.957877 5.845659 6.464705 9.198437 9.838290 8.272477 8.224799 0.000000 9.653122 3.962972 7.117108 4.094439 5.721412 5.404779 7.978497 7.408936 9.414480 8.941366 2.240551 3.284489 4.201374 1.097749 3.473501 2.133608 3.335084 5.695406 2.716478 5.845331 5.078534 5.671758 6.225529 7.773794 8.048623 7.032416 7.148384 9.806329 10.125403 9.359902 9.345545 2.359775 0.000000 9.162910 5.410768 6.317049 3.432203 4.945534 4.544524 6.907309 7.374118 8.329006 8.716027 4.027421 4.197287 2.096568 3.394981 1.098295 2.178377 4.094338 2.604872 2.692784 4.390854 5.100341 5.449677 4.642266 7.107334 6.407695 7.257780 7.573215 8.383544 8.942023 9.548965 8.786941 5.093544 4.287374 0.000000 10.650582 4.392220 7.926382 4.191233 6.634470 5.554550 9.113422 8.254199 10.385457 9.648976 2.184379 3.519888 4.205392 2.840321 3.931491 3.577124 1.104495 5.269310 4.716771 6.872577 6.452239 5.641037 5.990839 9.300762 9.119182 7.565337 8.408561 10.441012 11.284572 10.104132 9.692769 2.479409 3.316055 4.577800 0.000000 9.600789 4.063288 6.768357 2.988867 5.489843 4.322156 7.908942 7.337231 9.162701 8.680181 2.220549 2.931728 2.704572 2.874748 2.715669 3.047076 1.101933 3.544660 4.384108 5.595134 5.562479 4.631328 4.542594 8.235219 7.782546 6.743138 7.650870 9.112595 10.048658 9.286526 8.619585 3.099445 3.801667 3.300074 1.784365 0.000000 9.519949 3.471291 6.900812 3.420350 5.800902 4.489577 8.227394 7.122439 9.342054 8.397181 2.198082 2.798988 3.839109 3.527622 4.176331 4.254074 1.105364 4.707721 5.674030 6.227661 5.782285 4.357005 4.840717 8.560539 8.325358 6.315060 7.441159 9.292834 10.322322 8.825859 8.318901 2.496449 4.231161 4.957485 1.790060 1.793227 0.000000 6.721993 5.116564 4.027397 2.889350 3.177565 2.779822 4.607666 5.329115 5.741512 6.330455 5.158217 4.304625 2.202612 5.287306 3.196542 4.547448 5.302116 1.106319 5.479425 2.599849 4.014176 3.805256 2.204011 5.247792 4.011559 5.352277 5.911990 5.506478 6.431778 7.314541 6.143096 6.154494 6.319087 3.277452 6.250889 4.571843 5.603741 0.000000 8.463699 5.732822 5.687791 3.419720 4.623560 3.979166 6.311609 6.898450 7.507062 8.002617 4.974541 4.641573 2.157637 4.944997 2.571479 4.028888 4.745695 1.101665 4.844975 4.058967 5.235633 4.925804 3.544383 6.842272 5.696127 6.784065 7.403513 7.283554 8.172877 8.939266 7.815725 6.065606 5.993473 2.203662 5.498974 3.779921 5.217894 1.779314 0.000000 7.689015 4.874776 4.959283 2.760525 4.087951 2.989231 5.894323 5.983876 6.917265 6.994749 4.611361 3.977063 2.184755 5.113460 3.287788 4.628523 4.278712 1.106364 5.819462 3.915507 4.835271 3.707768 2.324774 6.586672 5.499537 5.676154 6.662325 6.568441 7.752865 7.870815 6.660066 5.592178 6.209354 3.467238 5.225892 3.471015 4.379261 1.784384 1.786238 0.000000 10.730929 6.404909 8.012872 5.122931 6.560498 6.407717 8.497588 8.878888 10.016786 10.338020 4.578187 5.299081 4.178117 3.263842 2.800977 2.177471 4.910955 5.100787 1.107756 6.070600 6.307687 7.176293 6.807236 8.392549 8.101644 8.780764 8.786711 10.287253 10.536665 11.050304 10.616652 5.351917 3.529041 2.550792 4.903647 4.506548 5.995874 5.694861 4.742927 5.931366 0.000000 9.442065 5.847885 6.911258 4.706108 5.520036 5.757227 7.217061 7.752345 8.753634 9.194176 4.620128 4.929960 3.998445 3.246076 2.856419 2.183769 5.427389 5.025645 1.106624 4.986910 5.128901 6.553877 6.293389 6.953615 6.874216 7.816770 7.523450 9.164321 9.186227 9.889732 9.605099 5.334992 3.450738 2.922216 5.670331 5.150453 6.434958 5.321640 4.919114 5.996663 1.778879 0.000000 10.488359 5.838072 7.928002 5.195763 6.484390 6.470751 8.450532 8.543819 9.979959 10.057056 4.156655 4.961427 4.698822 2.641143 3.477555 2.183563 4.925127 5.956779 1.103246 6.198077 5.942091 7.066415 7.125699 8.165150 8.261404 8.420178 8.256319 10.403775 10.508525 10.628789 10.486613 4.628218 2.369421 3.749975 4.850080 4.910273 5.987993 6.482881 5.894323 6.753054 1.787498 1.789990 0.000000 C15H24N2O2 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 0 0 0 0 240.17269999999985 AuxInfo=1/0/N:19,17,18,5,6,7,8,9,10,14,15,16,11,13,12,3,4,2,1/E:(6,7)(8,9)/CRV:10.3,11.3,12.3,14.3,15.3,18.1/rA:43OO1NNCCCCCCCC3C3C3C3C3CCCHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s3;s4s5;s3;s3;s1s7;s1s8;;s2s4s11;s4;s11;s13;s14s15;s11;s13;s16;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s14;s15;s17;s17;s17;s18;s18;s18;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7332582 0.1698039 0.1590065 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= 13203 NPrTT= 66174 LenC2= 11651 LenP2D= 36863. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 238 RedAO= T EigKep= 1.42D-03 NBF= 238 NBsUse= 238 1.00D-06 EigRej= -1.00D+00 NBFU= 238 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= 232 232 232 232 233 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 0 1 -844.394306652955 -844.333965219756 0.060341433199 -844.609336667515 -0.275371447759 -844.709394125017 -0.100057457503 -844.781298576702 -0.071904451685 -844.785300362606 -0.004001785904 -844.786053740850 -0.000753378244 -844.786235330100 -0.000181589250 -844.786245037940 -0.000009707840 -844.786239524919 0.000005513021 -844.786241199837 -0.000001674917 -844.786240527032 0.000000672805 -844.786242164679 -0.000001637647 -844.786242205042 -0.000000040362 -844.786242207806 -0.000000002764 -844.786242208089 -0.000000000284 -844.786242208130 -0.000000000040 -844.786242208203 -0.000000000073 -844.786242208 18 8.405439857832e+02 -4.937960022671e+03 1.767346916210e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 191824 IEndB= 191824 NGot= 402653184 MDV= 402534883 LenX= 402534883 LenY= 402477798 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. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 43. Will process 44 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111 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= 402652512 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 780000000 NMat= 132 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 132 NMatS0= 132 NMatT0= 0 NMatD0= 132 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 132 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 129 vectors produced by pass 0 Test12= 1.20D-14 1.00D-09 XBig12= 2.98D+02 8.94D+00. AX will form 129 AO Fock derivatives at one time. 129 vectors produced by pass 1 Test12= 1.20D-14 1.00D-09 XBig12= 1.03D+02 2.30D+00. 129 vectors produced by pass 2 Test12= 1.20D-14 1.00D-09 XBig12= 2.04D-01 3.30D-02. 129 vectors produced by pass 3 Test12= 1.20D-14 1.00D-09 XBig12= 6.31D-05 6.58D-04. 67 vectors produced by pass 4 Test12= 1.20D-14 1.00D-09 XBig12= 5.90D-09 7.52D-06. 4 vectors produced by pass 5 Test12= 1.20D-14 1.00D-09 XBig12= 4.34D-13 6.37D-08. 1 vectors produced by pass 6 Test12= 1.20D-14 1.00D-09 XBig12= 4.31D-16 1.33D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 588 with 132 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 182.78 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 212.405 6.835 184.487 16.320 -5.454 151.457 318.887 29.339 360.036 39.295 -31.655 270.117 (Enter /mnt/data/applications/G09/g09/l716.exe) PT5012.800S 2018-04-25T06:00:20.000+02:00 -18.75408 -18.73298 -14.04545 -13.99389 -9.99740 -9.95750 -9.93630 -9.93417 -9.92856 -9.92251 -9.92157 -9.91607 -9.91550 -9.91473 -9.90774 -9.90330 -9.90084 -9.89343 -9.88623 -0.94802 -0.92734 -0.86544 -0.83787 -0.75619 -0.72200 -0.70003 -0.69466 -0.67924 -0.63613 -0.61712 -0.61478 -0.58333 -0.57727 -0.56696 -0.54759 -0.50115 -0.49930 -0.47291 -0.44745 -0.43358 -0.42598 -0.41655 -0.41259 -0.40863 -0.40603 -0.39827 -0.38483 -0.37911 -0.37841 -0.37524 -0.36867 -0.36156 -0.35511 -0.35211 -0.34626 -0.34448 -0.34167 -0.33596 -0.32305 -0.31692 -0.31673 -0.31035 -0.29930 -0.29505 -0.28708 -0.26759 -0.25270 -0.23081 -0.20475 -0.19865 -0.18007 -0.16870 -0.05707 -0.02695 0.03076 0.05068 0.07027 0.07326 0.08543 0.09709 0.10000 0.10089 0.10743 0.11120 0.11577 0.11854 0.12470 0.12635 0.13397 0.13647 0.13943 0.14469 0.15046 0.15594 0.15903 0.16097 0.16521 0.16632 0.17195 0.17516 0.17759 0.18098 0.18352 0.18769 0.19076 0.19468 0.20176 0.20645 0.20968 0.21322 0.21616 0.22394 0.23142 0.23905 0.24228 0.24593 0.25385 0.25710 0.26738 0.26904 0.28853 0.29981 0.30510 0.30737 0.30944 0.31582 0.32882 0.33607 0.33994 0.34298 0.34565 0.35839 0.36636 0.37403 0.37904 0.38333 0.38606 0.39383 0.39993 0.40428 0.41327 0.42660 0.43326 0.44214 0.44806 0.45277 0.45916 0.46702 0.47298 0.47866 0.48758 0.49259 0.50003 0.52005 0.53046 0.54183 0.55595 0.57328 0.58377 0.61363 0.62141 0.64317 0.66075 0.68010 0.70302 0.71473 0.73689 0.76407 0.78432 0.82267 0.84021 0.86219 0.87377 0.87907 0.88466 0.89642 0.90368 0.91385 0.92928 0.93348 0.94034 0.94875 0.95759 0.98291 0.98920 0.99771 1.00615 1.02206 1.05710 1.06997 1.07615 1.08132 1.08604 1.08928 1.09740 1.10536 1.11918 1.12711 1.13408 1.13581 1.14337 1.14951 1.16516 1.18569 1.19291 1.20600 1.24121 1.24736 1.26708 1.28666 1.31931 1.33718 1.37592 1.43117 1.49197 1.49913 1.57445 1.70850 1.73952 22.35224 22.46912 22.48522 22.53886 22.55346 22.55794 22.60092 22.60352 22.62036 22.62151 22.65297 22.65963 22.66708 22.71213 22.73747 31.53108 31.53764 41.52738 41.56943 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 40 41 42 43 O O N N 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 -0.247043 -0.262273 -0.095213 -0.197497 -0.344672 -0.428587 -0.348314 -0.336038 -0.313181 -0.322408 -0.226561 0.133824 0.381924 -0.369519 -0.445614 0.438226 -0.715034 -0.809511 -0.812397 0.202370 0.229707 0.263560 0.244412 0.192799 0.206621 0.221520 0.199229 0.189392 0.212454 0.215778 0.191193 0.242311 0.231609 0.201400 0.225582 0.236861 0.223256 0.237907 0.236464 0.238698 0.220746 0.229983 0.226037 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 O O N N C C C C C C C C C C C C C C C -0.247043 -0.262273 -0.095213 -0.197497 0.087405 0.079384 0.051106 0.084710 0.088665 0.084562 0.015750 0.133824 0.381924 -0.137911 -0.244215 0.438226 -0.029333 -0.096442 -0.135631 0.00000 -1.07193317e+00 -1.31479379e+00 6.72535369e-01 2.12405182e+02 6.83494671e+00 1.84487427e+02 1.63201356e+01 -5.45413832e+00 1.51456901e+02 -26.3758 -12.6040 -0.0005 -0.0002 0.0003 2.2820 13.1190 25.9951 30.6079 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -21.3753 25.5479 30.3028 67.8668 90.3430 96.8491 119.4778 147.3018 158.5616 179.3651 192.8447 216.5347 220.6266 239.4716 251.7646 276.9702 314.6827 323.1056 336.4219 376.9586 382.2224 388.1488 397.7043 412.5770 431.1972 468.7946 473.2277 496.0362 552.5081 558.6786 597.4442 625.6391 672.3312 693.9125 731.3413 762.6476 787.0974 809.5915 810.3073 839.5196 842.5651 872.5305 896.3607 906.9652 956.0366 968.0072 997.4522 1017.5188 1026.7958 1030.3900 1042.5743 1044.7680 1047.4104 1053.9323 1073.5518 1078.6388 1089.2718 1096.5053 1108.7746 1134.7043 1137.9198 1151.9456 1189.2719 1191.1863 1208.4263 1229.6893 1255.3593 1270.8355 1290.0164 1295.4020 1300.7231 1318.6747 1327.7006 1332.4732 1334.1454 1342.1502 1351.7130 1369.1261 1372.6682 1379.4591 1392.1788 1393.9988 1398.4227 1408.5564 1443.2498 1446.9743 1451.1374 1452.9058 1459.0747 1463.4450 1469.3351 1469.9410 1472.7045 1473.9949 1480.2846 1490.2174 1570.8132 1619.4627 1651.6695 2867.8824 2880.5501 2905.3098 2952.4560 2957.6100 2969.5180 2976.9753 2988.7102 3018.2265 3026.7824 3045.0919 3045.4810 3047.8878 3052.9243 3061.4630 3079.0573 3080.5956 3084.5144 3087.7393 3095.5469 3102.6263 3107.9813 3117.6415 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