Gaussian 09 GINC-KIMIK2080 CBGUSER 000270705 EM64L-G09RevD.01 16-Mar-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 350.22699999999975 0 1 AuxInfo=1/0/N:27,19,20,15,16,12,13,17,18,14,11,21,23,22,24,25,26,7,10,5,6,8,9,4,1,2,3/E:(2,3)(4,5)(6,7)(8,9)(25,26)/CRV:2.3,3.3,4.3,5.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,20.2,21.2,22.2,23.2/rA:48OOONN2N2NN2N2NC3CCC3C3C3CCC3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s4;s4;s4;;s11;s11;s1s12;s2s13;s14s15;s14s16;s5s14;s6s7s21;s5;s6s8s23;s3s9s23;s8s9s10;s3;s12;s12;s13;s13;s15;s16;s17;s17;s18;s18;s19;s20;s1;s2;s7;s7;s10;s10;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-12309.inp" -scrdir="/scratch/" chk=000270705.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 000270705 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 16 16 16 14 14 14 14 14 14 14 12 12 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 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 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 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 0 0 0 2 2 2 2 2 2 2 0 0 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 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 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 R45 R46 R47 R48 R49 R50 1 1 2 2 3 3 4 4 4 5 5 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 17 17 18 18 19 20 21 23 23 27 27 27 17 40 18 41 25 27 11 12 13 21 23 22 24 22 42 43 24 26 25 26 26 44 45 15 16 17 28 29 18 30 31 19 20 21 19 32 20 33 34 35 36 37 38 39 22 24 25 46 47 48 1.4323 0.9768 1.4346 0.9772 1.346 1.4638 1.4226 1.4906 1.4859 1.3214 1.3769 1.356 1.3853 1.3815 1.0124 1.0084 1.3749 1.3741 1.3506 1.4055 1.3754 1.0064 1.009 1.4162 1.4147 1.5399 1.1164 1.1142 1.5398 1.1147 1.1147 1.4046 1.4022 1.4761 1.3904 1.0897 1.3924 1.087 1.1073 1.1023 1.1029 1.1091 1.0919 1.0914 1.4777 1.4525 1.4424 1.0943 1.096 1.0942 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 17 18 25 11 11 12 21 22 22 22 42 24 25 26 26 44 4 4 15 4 4 4 17 17 28 4 4 4 18 18 30 19 19 20 11 11 19 11 11 20 1 1 1 12 12 34 2 2 2 13 13 36 14 14 15 14 14 16 5 5 14 6 6 7 5 5 24 6 6 8 3 3 9 8 8 9 3 3 3 46 46 47 1 2 3 4 4 4 5 6 7 7 7 8 9 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 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 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 27 27 27 40 41 27 12 13 13 23 24 42 43 43 26 26 44 45 45 15 16 16 17 28 29 28 29 29 18 30 31 30 31 31 20 21 21 19 32 32 20 33 33 12 34 35 34 35 35 13 36 37 36 37 37 15 38 38 16 39 39 14 22 22 7 21 21 24 25 25 8 23 23 9 23 23 9 10 10 46 47 48 47 48 48 110.8632 110.6645 117.5344 118.0055 118.3977 113.0708 118.1722 117.4374 118.7214 119.5902 116.7943 116.6423 116.5207 120.4017 119.9185 119.036 119.8955 121.1088 118.7578 108.035 111.1473 112.4199 110.8991 109.5728 104.7741 114.3508 107.3456 108.8779 109.7891 110.2612 105.8334 119.4366 120.2454 120.3107 120.3877 120.4692 119.143 120.347 120.6957 118.9572 109.454 103.0722 109.9367 112.2042 112.3907 109.3781 110.4385 109.6875 102.7984 111.9455 112.3814 109.1967 120.5066 119.5665 119.9259 120.5495 119.7362 119.712 119.2919 120.6592 120.0483 116.8441 121.9711 121.1416 122.268 121.5264 116.2055 118.6402 119.4765 121.8814 120.0565 117.2227 122.7206 126.0233 117.6482 116.3237 109.8846 101.0096 109.856 112.2979 111.0523 112.2924 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 40 40 40 41 41 41 27 27 25 25 25 12 12 13 13 11 11 11 13 13 13 11 11 11 12 12 12 23 23 21 21 24 24 22 22 42 42 43 43 26 26 24 24 26 26 25 25 44 44 45 45 4 4 16 16 4 4 15 15 4 4 4 28 28 28 29 29 29 4 4 4 30 30 30 31 31 31 20 20 21 21 19 19 21 21 19 19 20 20 11 11 32 32 11 11 33 33 5 5 14 14 5 5 25 25 5 5 24 24 1 1 1 2 2 2 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 21 21 21 21 23 23 23 23 23 23 23 23 17 17 17 18 18 18 25 25 27 27 27 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 21 21 23 23 22 22 24 24 22 22 22 22 24 24 26 26 25 25 26 26 26 26 26 26 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 19 19 19 19 20 20 20 20 22 22 22 22 24 24 24 24 25 25 25 25 12 34 35 13 36 37 9 23 46 47 48 15 16 15 16 17 28 29 17 28 29 18 30 31 18 30 31 14 22 24 25 7 21 8 23 6 21 6 21 6 23 9 10 3 23 8 10 8 9 8 9 19 32 19 32 20 33 20 33 1 34 35 1 34 35 1 34 35 2 36 37 2 36 37 2 36 37 15 38 15 38 16 39 16 39 5 22 5 22 14 38 14 38 14 39 14 39 6 7 6 7 6 8 6 8 3 9 3 9 65.3533 -175.0779 -58.5544 -73.6075 50.2366 166.3025 -0.1324 -179.9708 -61.0042 -179.7818 61.4589 28.2795 -157.3942 170.6608 -15.013 -108.4433 129.6734 12.5846 107.263 -14.6203 -131.7091 -77.7963 160.152 46.0167 66.3458 -55.7059 -169.8412 -179.9659 0.3302 -0.3181 179.5819 176.2436 -1.3886 -179.1194 1.3696 9.4765 -172.8703 163.9377 -18.4091 -179.0925 0.4061 -0.936 178.2321 179.7817 -0.3892 0.9318 -178.246 175.4479 -5.3028 4.7329 -176.0178 174.2845 -5.7241 -0.1746 179.8168 -173.9603 6.1488 0.4291 -179.4618 172.2216 58.4393 -65.3237 -65.7422 -179.5245 56.7125 49.4383 -64.3439 171.8931 -85.0465 152.4221 29.1032 35.6593 -86.8721 149.809 151.8852 29.3537 -93.9651 1.4542 -178.1774 -179.5317 0.8367 -1.1985 178.2506 179.788 -0.7629 -66.3805 113.3252 112.625 -67.6693 -0.7699 178.8604 179.2386 -1.1311 0.2602 -179.1891 -179.8471 0.7037 0.5463 -176.9853 -179.1554 3.3131 -0.553 179.9525 179.5421 0.0475 -0.1234 -179.9572 179.7823 -0.0514 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 251 288 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 48 48 48 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= 20910 NPrTT= 107583 LenC2= 15780 LenP2D= 48211. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 312 RedAO= T EigKep= 5.40D-04 NBF= 312 NBsUse= 312 1.00D-06 EigRej= -1.00D+00 NBFU= 312 Using GEDIIS/GDIIS optimizer. local minimum Step number 11 out of a maximum of 251 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00241 0.00268 0.00330 0.00529 0.00587 0.00847 0.00908 0.01194 0.01256 0.01369 0.01448 0.01555 0.01618 0.01703 0.01781 0.01820 0.01869 0.01882 0.01920 0.01932 0.01954 0.01960 0.02002 0.02010 0.02017 0.02047 0.02059 0.02098 0.02125 0.02174 0.02326 0.02402 0.02527 0.02841 0.03651 0.03883 0.04329 0.04797 0.04995 0.05314 0.05426 0.05678 0.05901 0.09448 0.09545 0.10062 0.10638 0.11641 0.11775 0.12964 0.13016 0.13894 0.13972 0.15088 0.15895 0.15909 0.15945 0.15991 0.16000 0.16000 0.16002 0.16010 0.16018 0.16080 0.16093 0.16686 0.21282 0.21729 0.21990 0.22014 0.22297 0.23039 0.23860 0.24578 0.24878 0.24949 0.24956 0.24968 0.24977 0.24988 0.24994 0.24998 0.25090 0.25259 0.25898 0.26424 0.28552 0.28635 0.29792 0.30599 0.31982 0.32140 0.32185 0.32478 0.32699 0.32961 0.33212 0.33373 0.33499 0.33736 0.34134 0.34320 0.34333 0.34582 0.34636 0.34954 0.35015 0.35254 0.35858 0.36841 0.38353 0.39937 0.40276 0.41172 0.41293 0.41992 0.43387 0.44020 0.44979 0.45602 0.45689 0.46076 0.46136 0.46351 0.46573 0.46863 0.47388 0.48094 0.48459 0.48677 0.49331 0.50134 0.51626 0.51972 0.52952 0.53857 0.55023 0.59654 RFO step: Lambda=-8.40612359D-08. 1 2 0.00079974 0.00000029 0.00000027 0.00000019 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 R45 R46 R47 R48 R49 R50 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 2.77619 1.87213 2.78377 1.87275 2.59608 2.79574 2.65493 2.78524 2.77740 2.55298 2.59464 2.56074 2.60123 2.60789 1.92635 1.92110 2.60289 2.56392 2.53767 2.63105 2.59949 1.91940 1.92080 2.70940 2.70430 2.92890 2.09020 2.08692 2.92470 2.09483 2.09193 2.68987 2.68858 2.80124 2.64793 2.06666 2.65920 2.06693 2.08150 2.10089 2.10162 2.08150 2.06877 2.07192 2.77897 2.74171 2.72998 2.08466 2.07750 2.08464 1.90862 1.90091 2.03657 2.11770 2.11303 2.05155 2.07289 2.05695 2.04204 2.11786 2.10540 2.01932 2.03474 2.08422 2.07190 2.12704 2.11880 2.12460 2.03977 1.96977 1.88769 1.92911 1.92108 1.90289 1.84950 1.99769 1.89593 1.91036 1.89806 1.90409 1.85211 2.04076 2.08347 2.15721 2.11601 2.10273 2.06442 2.11630 2.10819 2.05803 1.94658 1.82762 1.94503 1.93035 1.92280 1.88871 1.96049 1.93600 1.82807 1.91351 1.92442 1.89909 2.12820 2.05944 2.09553 2.12450 2.09544 2.06049 2.05203 2.07366 2.15709 2.02136 2.13994 2.12127 2.12868 2.13341 2.02043 2.06544 2.08401 2.13347 2.09077 2.05634 2.13608 2.22116 2.05208 2.00993 1.92936 1.81660 1.92892 1.94336 1.90233 1.94253 1.10290 -3.09201 -1.05405 -1.29118 0.85716 2.90319 0.01345 -3.12831 -1.05460 3.14020 1.05301 0.13553 -3.00128 -3.05280 0.09358 -1.54307 2.61051 0.59304 1.64367 -0.48594 -2.50341 -1.52828 2.63021 0.61515 1.56829 -0.55640 -2.57145 -3.09315 0.07796 0.04239 -3.13991 -3.03467 0.06988 -3.11341 0.05233 0.04348 -3.06151 2.98419 -0.12080 -3.09277 0.02394 0.01744 -3.13051 3.13799 -0.00343 -0.02800 3.11982 -3.13591 0.00010 -0.00004 3.13596 3.13008 -0.00277 -0.01608 3.13426 -3.11521 0.06632 0.03097 -3.07069 3.07880 1.05238 -1.03489 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-0.00015 -0.00044 0.00005 -0.00023 0.00022 0.00028 0.00021 0.00025 0.00030 0.00024 0.00017 0.00023 0.00016 0.00032 0.00044 0.00033 0.00018 0.00030 0.00019 0.00017 0.00029 0.00018 0.00002 -0.00006 0.00020 0.00012 -0.00007 -0.00004 -0.00025 -0.00022 0.00025 0.00074 0.00043 0.00092 0.00007 0.00015 0.00004 0.00011 0.00004 0.00000 0.00032 0.00028 0.00040 0.00065 -0.00009 0.00016 0.00076 -0.00014 0.00082 -0.00007 -0.00011 -0.00023 -0.00018 -0.00029 0.00007 -0.00006 0.00006 -0.00005 0.00010 0.00004 0.00006 0.00001 -0.00002 0.00006 0.00003 -0.00004 -0.00003 0.00002 0.00000 -0.00002 -0.00002 0.00004 -0.00006 0.00002 -0.00003 0.00000 -0.00002 -0.00002 0.00003 -0.00007 -0.00001 -0.00004 0.00002 -0.00002 0.00005 0.00004 -0.00002 -0.00005 -0.00001 0.00000 -0.00003 -0.00002 0.00001 -0.00004 -0.00008 0.00000 -0.00003 0.00001 -0.00009 -0.00003 -0.00002 -0.00002 0.00000 -0.00003 0.00022 0.00016 0.00006 -0.00009 0.00003 0.00005 0.00000 0.00000 -0.00012 0.00008 0.00000 -0.00003 -0.00001 -0.00002 -0.00006 0.00007 0.00002 0.00005 -0.00007 -0.00010 0.00009 0.00006 0.00002 0.00003 -0.00010 -0.00010 0.00004 0.00010 -0.00011 0.00007 -0.00001 -0.00007 0.00000 0.00008 0.00003 -0.00003 -0.00001 0.00004 0.00000 -0.00004 0.00000 -0.00006 0.00000 -0.00001 -0.00002 0.00009 -0.00008 -0.00006 0.00003 0.00001 0.00003 0.00008 0.00003 -0.00002 -0.00002 0.00003 0.00003 -0.00007 0.00000 -0.00002 0.00003 -0.00008 0.00007 0.00000 0.00002 -0.00001 -0.00001 -0.00003 0.00003 0.00002 0.00000 -0.00002 0.00003 0.00000 -0.00003 0.00003 -0.00001 0.00003 0.00003 -0.00004 0.00000 -0.00001 0.00039 0.00035 0.00042 -0.00027 -0.00035 -0.00028 0.00001 -0.00019 -0.00025 -0.00021 -0.00023 -0.00065 -0.00044 -0.00084 -0.00063 0.00059 0.00057 0.00061 0.00077 0.00075 0.00079 0.00075 0.00092 0.00085 0.00057 0.00073 0.00067 0.00007 -0.00022 -0.00043 -0.00050 -0.00003 -0.00007 0.00042 -0.00056 -0.00010 -0.00007 -0.00035 -0.00032 -0.00049 0.00053 -0.00063 -0.00026 0.00006 0.00026 0.00024 -0.00012 0.00009 0.00042 -0.00024 0.00009 0.00006 0.00012 -0.00013 -0.00008 -0.00014 -0.00039 0.00006 -0.00019 0.00025 0.00033 0.00023 0.00031 0.00038 0.00029 0.00021 0.00029 0.00020 0.00039 0.00052 0.00039 0.00030 0.00043 0.00031 0.00027 0.00040 0.00027 -0.00003 -0.00005 0.00017 0.00015 -0.00004 -0.00005 -0.00025 -0.00026 0.00042 0.00073 0.00064 0.00094 0.00012 0.00015 0.00007 0.00010 0.00003 0.00003 0.00027 0.00027 0.00049 0.00045 0.00018 0.00014 0.00085 -0.00018 0.00092 -0.00010 -0.00004 -0.00025 -0.00012 -0.00032 2.77627 1.87207 2.78384 1.87269 2.59618 2.79578 2.65499 2.78525 2.77738 2.55304 2.59466 2.56070 2.60119 2.60791 1.92636 1.92108 2.60288 2.56395 2.53761 2.63107 2.59946 1.91940 1.92078 2.70939 2.70433 2.92884 2.09019 2.08688 2.92471 2.09481 2.09198 2.68991 2.68856 2.80119 2.64792 2.06666 2.65918 2.06691 2.08151 2.10085 2.10154 2.08150 2.06874 2.07194 2.77888 2.74169 2.72996 2.08464 2.07750 2.08462 1.90884 1.90107 2.03663 2.11761 2.11307 2.05160 2.07290 2.05695 2.04193 2.11793 2.10540 2.01929 2.03473 2.08420 2.07185 2.12712 2.11883 2.12466 2.03969 1.96967 1.88778 1.92917 1.92110 1.90292 1.84940 1.99759 1.89597 1.91047 1.89796 1.90415 1.85210 2.04069 2.08347 2.15729 2.11604 2.10270 2.06441 2.11634 2.10820 2.05799 1.94659 1.82756 1.94503 1.93034 1.92278 1.88880 1.96041 1.93594 1.82810 1.91353 1.92445 1.89917 2.12823 2.05942 2.09552 2.12454 2.09547 2.06042 2.05203 2.07365 2.15711 2.02129 2.14001 2.12128 2.12870 2.13340 2.02042 2.06541 2.08404 2.13349 2.09077 2.05632 2.13610 2.22116 2.05205 2.00996 1.92935 1.81663 1.92895 1.94332 1.90233 1.94252 1.10329 -3.09166 -1.05363 -1.29145 0.85680 2.90291 0.01345 -3.12850 -1.05485 3.13999 1.05278 0.13488 -3.00172 -3.05364 0.09295 -1.54248 2.61108 0.59365 1.64444 -0.48519 -2.50262 -1.52753 2.63113 0.61601 1.56886 -0.55567 -2.57079 -3.09307 0.07774 0.04197 -3.14042 -3.03471 0.06982 -3.11299 0.05177 0.04338 -3.06158 2.98384 -0.12112 -3.09326 0.02447 0.01681 -3.13077 3.13804 -0.00317 -0.02776 3.11970 -3.13581 0.00052 -0.00028 3.13605 3.13014 -0.00266 -0.01621 3.13417 -3.11535 0.06593 0.03102 -3.07088 3.07904 1.05271 -1.03466 -1.09337 -3.11971 1.07611 0.92828 -1.09806 3.09776 -1.21666 2.90573 0.81510 0.90677 -1.25402 2.93854 2.91957 0.75878 -1.33185 0.03916 -3.09802 3.11978 -0.01740 -0.02409 3.03628 -3.10188 -0.04152 -0.52038 2.59048 2.55594 -0.61640 -0.01934 3.11775 3.11365 -0.03245 -0.01096 -3.07290 3.09204 0.03011 -0.14047 2.96197 3.03222 -0.14853 -0.11283 3.05287 3.06707 -0.05042 0.07779 -3.06418 -3.10223 0.03899 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000056 0.000013 0.003728 0.000800 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.388146e-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 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 2 2 3 3 4 4 4 5 5 6 6 7 7 7 8 8 9 9 10 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 17 17 18 18 19 20 21 23 23 27 27 27 17 40 18 41 25 27 11 12 13 21 23 22 24 22 42 43 24 26 25 26 26 44 45 15 16 17 28 29 18 30 31 19 20 21 19 32 20 33 34 35 36 37 38 39 22 24 25 46 47 48 1.4691 0.9907 1.4731 0.991 1.3738 1.4794 1.4049 1.4739 1.4697 1.351 1.373 1.3551 1.3765 1.38 1.0194 1.0166 1.3774 1.3568 1.3429 1.3923 1.3756 1.0157 1.0164 1.4338 1.4311 1.5499 1.1061 1.1044 1.5477 1.1085 1.107 1.4234 1.4227 1.4824 1.4012 1.0936 1.4072 1.0938 1.1015 1.1117 1.1121 1.1015 1.0947 1.0964 1.4706 1.4509 1.4446 1.1032 1.0994 1.1031 -DE/DX = 0.0|-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 = -0.0001|-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 17 18 25 11 11 12 21 22 22 22 42 24 25 26 26 44 4 4 15 4 4 4 17 17 28 4 4 4 18 18 30 19 19 20 11 11 19 11 11 20 1 1 1 12 12 34 2 2 2 13 13 36 14 14 15 14 14 16 5 5 14 6 6 7 5 5 24 6 6 8 3 3 9 8 8 9 3 3 3 46 46 47 1 2 3 4 4 4 5 6 7 7 7 8 9 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 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 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 27 27 27 40 41 27 12 13 13 23 24 42 43 43 26 26 44 45 45 15 16 16 17 28 29 28 29 29 18 30 31 30 31 31 20 21 21 19 32 32 20 33 33 12 34 35 34 35 35 13 36 37 36 37 37 15 38 38 16 39 39 14 22 22 7 21 21 24 25 25 8 23 23 9 23 23 9 10 10 46 47 48 47 48 48 109.3557 108.9143 116.6871 121.3355 121.0679 117.5449 118.7681 117.8547 117.0006 121.3443 120.6307 115.6983 116.582 119.4172 118.7113 121.8707 121.3985 121.7309 116.8701 112.8593 108.1566 110.53 110.0697 109.0274 105.9684 114.459 108.6288 109.4557 108.751 109.0962 106.1181 116.9269 119.3742 123.5989 121.2382 120.4777 118.2823 121.2548 120.7907 117.9165 111.531 104.7147 111.4422 110.601 110.1685 108.2149 112.3279 110.9248 104.7406 109.6362 110.2609 108.8101 121.937 117.9972 120.0653 121.7251 120.0597 118.0575 117.5725 118.8122 123.592 115.8157 122.6093 121.5401 121.9646 122.2356 115.762 118.341 119.4051 122.2387 119.7923 117.8195 122.3882 127.2632 117.5754 115.1605 110.544 104.0833 110.5187 111.3462 108.9955 111.2987 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 40 40 40 41 41 41 27 27 25 25 25 12 12 13 13 11 11 11 13 13 13 11 11 11 12 12 12 23 23 21 21 24 24 22 22 42 42 43 43 26 26 24 24 26 26 25 25 44 44 45 45 4 4 16 16 4 4 15 15 4 4 4 28 28 28 29 29 29 4 4 4 30 30 30 31 31 31 20 20 21 21 19 19 21 21 19 19 20 20 11 11 32 32 11 11 33 33 5 5 14 14 5 5 25 25 5 5 24 1 1 1 2 2 2 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 21 21 21 21 23 23 23 23 23 23 23 17 17 17 18 18 18 25 25 27 27 27 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 21 21 23 23 22 22 24 24 22 22 22 22 24 24 26 26 25 25 26 26 26 26 26 26 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 19 19 19 19 20 20 20 20 22 22 22 22 24 24 24 24 25 25 25 12 34 35 13 36 37 9 23 46 47 48 15 16 15 16 17 28 29 17 28 29 18 30 31 18 30 31 14 22 24 25 7 21 8 23 6 21 6 21 6 23 9 10 3 23 8 10 8 9 8 9 19 32 19 32 20 33 20 33 1 34 35 1 34 35 1 34 35 2 36 37 2 36 37 2 36 37 15 38 15 38 16 39 16 39 5 22 5 22 14 38 14 38 14 39 14 39 6 7 6 7 6 8 6 8 3 9 3 63.1916 -177.159 -60.3925 -73.9793 49.1116 166.3404 0.7705 -179.2389 -60.4241 179.9203 60.3333 7.7651 -171.9606 -174.9124 5.3619 -88.4113 149.5711 33.9786 94.1753 -27.8424 -143.4349 -87.5642 150.6998 35.2457 89.8565 -31.8794 -147.3335 -177.2243 4.4668 2.4289 -179.9039 -173.874 4.0041 -178.3854 2.9985 2.4913 -175.4114 170.9814 -6.9214 -177.2029 1.3718 0.9992 -179.3648 179.7933 -0.1968 -1.6041 178.7524 -179.6742 0.0057 -0.0026 179.6773 179.3404 -0.1589 -0.9212 179.5796 -178.4883 3.7999 1.7742 -175.9376 176.402 60.2969 -59.2949 -62.6633 -178.7684 61.6398 53.1739 -62.9311 177.4771 -69.732 166.4563 46.6793 51.937 -71.8746 168.3483 167.2637 43.452 -76.325 2.2455 -177.5004 178.7403 -1.0056 -1.3778 173.9688 -177.7104 -2.3637 -29.8397 148.3814 146.4079 -35.3709 -1.1152 178.6255 178.3947 -1.8646 -0.6299 -176.0662 177.1457 1.7093 -8.0765 169.6822 173.7231 -8.5182 -6.5137 174.9264 175.6772 -2.8828 4.4594 -175.5503 -177.738 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 0 0 0 0 350.22699999999975 AuxInfo=1/0/N:27,19,20,15,16,12,13,17,18,14,11,21,23,22,24,25,26,7,10,5,6,8,9,4,1,2,3/E:(2,3)(4,5)(6,7)(8,9)(25,26)/CRV:2.3,3.3,4.3,5.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,20.2,21.2,22.2,23.2/rA:48OOONN2N2NN2N2NC3CCC3C3C3CCC3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s4;s4;s4;;s11;s11;s1s12;s2s13;s14s15;s14s16;s5s14;s6s7s21;s5;s6s8s23;s3s9s23;s8s9s10;s3;s12;s12;s13;s13;s15;s16;s17;s17;s18;s18;s19;s20;s1;s2;s7;s7;s10;s10;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.946277 0.000000 10.483253 10.257731 0.000000 3.710557 3.219621 8.635087 0.000000 8.754154 8.627514 2.778224 6.484985 0.000000 10.345069 10.446816 4.828996 7.900074 2.869549 0.000000 8.904206 9.001834 6.333961 6.256014 3.686208 2.332130 0.000000 12.125067 12.186597 4.164135 9.861829 3.731911 2.373845 4.704910 0.000000 12.176789 12.097531 2.336048 10.166754 3.701685 4.204061 6.320709 2.476947 0.000000 14.022805 14.071126 4.697537 11.929924 5.509968 4.725570 7.056828 2.352408 2.362484 0.000000 4.590956 4.202759 7.316734 1.422612 5.075689 6.526350 5.029781 8.446318 8.767189 10.509220 0.000000 2.427325 3.117684 9.043046 1.490557 7.170161 8.857120 7.382635 10.684115 10.756298 12.642475 2.497391 0.000000 4.649532 2.443700 9.508858 1.485911 7.370346 8.682010 6.942018 10.674878 11.024536 12.761124 2.498486 2.483051 0.000000 6.869969 6.732793 5.025071 4.238471 2.415265 3.808910 2.933669 5.626974 6.095761 7.709891 2.819930 5.131360 5.135272 0.000000 4.452657 5.208589 6.552488 2.457190 4.418467 6.049643 4.849748 7.827924 8.027467 9.808973 1.416200 2.897099 3.797513 2.426755 0.000000 5.968777 4.715548 7.037880 2.470811 4.661161 5.848038 4.305879 7.814118 8.298878 9.925190 1.414715 3.779464 2.880655 2.426892 2.436157 0.000000 1.432303 4.293280 9.986188 2.452400 7.997514 9.401431 7.788732 11.321746 11.567486 13.335392 3.439486 1.539892 3.420716 5.901298 3.581049 4.748783 0.000000 5.348161 1.434572 9.415951 2.542766 7.597802 9.237523 7.749886 11.034417 11.106154 12.980813 3.258386 3.101820 1.539788 5.636712 4.472395 3.457822 4.381009 0.000000 5.723040 6.382051 5.381270 3.728879 3.112781 4.771690 3.913953 6.459035 6.696532 8.429911 2.435389 4.279410 4.933035 1.404617 1.390439 2.800483 4.919671 5.513092 0.000000 6.963163 5.991855 5.961051 3.738890 3.446348 4.510858 3.213562 6.439968 7.017518 8.562597 2.435303 4.918433 4.272699 1.402216 2.799854 1.392407 5.821197 4.734830 2.423859 0.000000 8.197762 8.134086 4.098471 5.713978 1.321398 2.478737 2.490687 4.151469 4.766801 6.252207 4.296011 6.571881 6.576532 1.476082 3.776415 3.777350 7.293633 7.013971 2.498091 2.496842 0.000000 9.095118 9.156966 4.979961 6.556098 2.433338 1.355958 1.381469 3.596147 4.975202 5.912393 5.195203 7.547916 7.342919 2.558679 4.790249 4.533369 8.101594 7.951860 3.589513 3.236183 1.477708 0.000000 10.049500 9.979485 2.380883 7.835213 1.376923 2.451275 4.105980 2.471754 2.451713 4.133169 6.419089 8.533776 8.699786 3.675809 5.744958 5.929556 9.313610 8.925317 4.398095 4.634348 2.315174 2.725616 0.000000 10.806881 10.840156 3.679412 8.487036 2.478112 1.385263 3.592976 1.374915 2.818826 3.591462 7.071411 9.320084 9.311175 4.252176 6.473436 6.459470 9.975514 9.693191 5.115756 5.095663 2.776960 2.342775 1.452470 0.000000 10.888826 10.765977 1.346026 8.861839 2.460376 3.732184 5.545126 2.818451 1.350642 3.579751 7.473916 9.427524 9.731634 4.875607 6.736780 7.057906 10.275966 9.799039 5.435384 5.826615 3.650060 4.165026 1.442403 2.457745 0.000000 12.694865 12.704544 3.592233 10.562465 4.135171 3.608623 5.909020 1.374131 1.405478 1.375351 9.142078 11.275084 11.399593 6.350605 8.451155 8.575296 11.991413 11.621038 7.077574 7.223117 4.902724 4.681966 2.758262 2.339453 2.344112 0.000000 11.562295 11.301161 1.463753 9.896584 4.241972 6.119988 7.764927 5.031506 2.702244 4.885336 8.625916 10.199652 10.755996 6.457650 7.842535 8.391386 11.172407 10.546147 6.733140 7.363557 5.562025 6.398754 3.722281 4.860377 2.403326 4.107622 0.000000 2.754513 2.250557 9.683655 2.160736 7.954175 9.759356 8.304250 11.541849 11.501546 13.457589 3.300286 1.116399 2.515344 5.978895 3.870652 4.407339 2.200938 2.696143 5.218783 5.628732 7.423017 8.450634 9.329319 10.177831 10.158063 12.084964 10.775513 0.000000 2.606762 3.663609 8.261814 2.174896 6.611192 8.545383 7.325868 10.203940 10.076084 12.047985 2.605342 1.114246 3.323045 4.824154 2.530164 3.938933 2.182299 3.660127 3.813109 4.860825 6.184110 7.294901 7.962834 8.863508 8.742823 10.688553 9.351382 1.767010 0.000000 4.385920 2.542315 10.546958 2.106684 8.383714 9.602911 7.753419 11.655706 12.060462 13.773687 3.380409 2.672022 1.114699 6.097334 4.557503 3.899219 3.207076 2.185339 5.784940 5.285700 7.549699 8.252529 9.714542 10.289541 10.766884 12.413525 11.792982 2.516805 3.708320 0.000000 5.545613 3.357003 9.515057 2.126572 7.217183 8.219174 6.359398 10.293534 10.846135 12.443825 2.685442 3.427640 1.114698 4.941778 4.078969 2.557832 4.212426 2.191409 5.011192 3.882357 6.306524 6.896122 8.484153 8.953026 9.602119 11.105294 10.818589 3.611417 4.212009 1.778523 0.000000 3.604637 5.302544 7.062910 2.696043 5.159938 6.857134 5.728897 8.544801 8.623779 10.444631 2.181277 2.562968 4.158553 3.407664 1.089652 3.430584 2.991964 4.841481 2.143908 3.889410 4.640886 5.651455 6.448002 7.223546 7.341001 9.105906 8.269153 3.582829 1.998007 4.730059 4.648647 0.000000 6.419372 4.405696 7.844693 2.721829 5.521649 6.533663 4.891006 8.516916 9.063819 10.632649 2.180150 4.134622 2.530304 3.403567 3.429794 1.087012 5.131997 3.017488 3.887332 2.141493 4.637324 5.256274 6.733407 7.195976 7.854066 9.304583 9.172566 4.558736 4.499901 3.534196 1.906956 4.343623 0.000000 1.998725 5.184395 9.586655 2.719230 7.497764 8.704837 7.092582 10.648600 11.022219 12.685414 3.326876 2.210424 3.921260 5.424889 3.181477 4.623334 1.107250 5.040116 4.385269 5.515616 6.735922 7.437517 8.758349 9.327333 9.772234 11.365555 10.814505 3.135344 2.580223 3.856544 4.508940 2.552699 5.159647 0.000000 2.084082 4.293702 10.889494 2.775607 8.778936 9.997908 8.210088 12.025622 12.408160 14.111952 3.972655 2.208992 3.329249 6.558482 4.386354 5.120560 1.102343 4.423047 5.719352 6.297449 7.975074 8.673568 10.093511 10.672759 11.123020 12.767654 12.112409 2.553450 3.114966 2.781841 4.042652 3.956028 5.305943 1.803090 0.000000 6.391296 2.083364 9.878431 3.451288 8.060191 9.557702 8.051319 11.350911 11.486295 13.296168 4.031276 4.173556 2.203781 6.157408 5.331595 3.880724 5.378391 1.102891 6.249259 5.078007 7.456844 8.306394 9.334492 10.040324 10.216029 11.958511 11.001454 3.754563 4.753220 2.730462 2.396119 5.818265 3.167241 6.011543 5.298874 0.000000 5.489537 1.998271 8.429597 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AuxInfo=1/0/N:27,19,20,15,16,12,13,17,18,14,11,21,23,22,24,25,26,7,10,5,6,8,9,4,1,2,3/E:(2,3)(4,5)(6,7)(8,9)(25,26)/CRV:2.3,3.3,4.3,5.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,20.2,21.2,22.2,23.2/rA:48OOONN2N2NN2N2NC3CCC3C3C3CCC3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s4;s4;s4;;s11;s11;s1s12;s2s13;s14s15;s14s16;s5s14;s6s7s21;s5;s6s8s23;s3s9s23;s8s9s10;s3;s12;s12;s13;s13;s15;s16;s17;s17;s18;s18;s19;s20;s1;s2;s7;s7;s10;s10;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.400693 0.000000 9.813748 10.674297 0.000000 3.808024 3.124027 8.544879 0.000000 8.517866 8.803319 2.820169 6.484197 0.000000 10.589102 10.346983 4.849312 8.066831 2.856930 0.000000 9.400784 8.920610 6.359706 6.589040 3.689157 2.317218 0.000000 12.156245 12.140370 4.191098 9.942030 3.728313 2.364765 4.680749 0.000000 11.796620 12.273753 2.350285 10.125590 3.694524 4.175652 6.287692 2.463089 0.000000 13.872057 14.052153 4.686637 11.931764 5.485106 4.700663 7.015659 2.336876 2.336506 0.000000 4.620863 4.167048 7.309606 1.404929 5.113652 6.677160 5.308655 8.537995 8.779836 10.542646 0.000000 2.496355 3.344289 8.838982 1.473885 7.140406 9.053637 7.757405 10.765050 10.655023 12.620664 2.509960 0.000000 4.686568 2.509519 9.770596 1.469739 7.535027 8.772090 7.058331 10.789101 11.201349 12.872133 2.503025 2.517139 0.000000 6.912569 6.764287 5.062762 4.302654 2.424134 3.841366 3.018488 5.646776 6.098708 7.702580 2.897883 5.222317 5.216654 0.000000 4.488368 5.242420 6.170780 2.475550 4.252100 6.246835 5.270074 7.871190 7.820054 9.733702 1.433754 2.923436 3.823864 2.469756 0.000000 6.004215 4.643846 7.350039 2.477202 4.841546 5.874119 4.310825 7.896167 8.486705 10.020338 1.431053 3.827637 2.918624 2.471822 2.440952 0.000000 1.469099 4.641577 9.313995 2.519800 7.663343 9.506401 8.143935 11.238470 11.132703 13.096501 3.355851 1.549910 3.406244 5.805054 3.486592 4.669937 0.000000 5.695288 1.473109 10.183597 2.537538 8.033783 9.272660 7.686043 11.204360 11.588958 13.230359 3.365886 3.388107 1.547684 5.835351 4.671445 3.503945 4.607677 0.000000 5.743928 6.413308 4.963690 3.756665 2.875533 4.957963 4.305740 6.488752 6.469483 8.346668 2.470386 4.323538 4.971796 1.423416 1.401223 2.808383 4.801467 5.721364 0.000000 6.987311 5.948549 6.364023 3.762876 3.685603 4.474256 3.052805 6.514014 7.255299 8.674156 2.473410 4.981231 4.323928 1.422737 2.810470 1.407189 5.714393 4.831513 2.425796 0.000000 8.215674 8.168025 4.169753 5.783890 1.350979 2.479239 2.488020 4.167983 4.786636 6.252769 4.379140 6.657730 6.675157 1.482352 3.810031 3.848209 7.178560 7.229619 2.508673 2.560406 0.000000 9.361498 9.088507 5.012572 6.745055 2.429537 1.355085 1.380037 3.592087 4.957886 5.890709 5.366270 7.769998 7.435716 2.602326 5.025646 4.554470 8.226847 7.994536 3.819971 3.169250 1.470566 0.000000 9.831001 10.114339 2.413852 7.846071 1.373022 2.441485 4.096896 2.476744 2.443078 4.114702 6.466571 8.511629 8.860891 3.689586 5.619340 6.096578 9.005220 9.322173 4.234304 4.843682 2.344303 2.723548 0.000000 10.830043 10.827223 3.706061 8.571166 2.469682 1.376510 3.575880 1.377392 2.800289 3.572979 7.166618 9.404909 9.430251 4.272640 6.515106 6.548851 9.881890 9.887094 5.140248 5.177539 2.792135 2.339674 1.450853 0.000000 10.466908 11.008464 1.373785 8.820052 2.467432 3.718873 5.533466 2.817478 1.342878 3.553662 7.489926 9.318087 9.932504 4.890881 6.494769 7.281795 9.802271 10.351364 5.159097 6.114142 3.687140 4.163655 1.444643 2.452330 0.000000 12.518144 12.726916 3.599306 10.562815 4.110960 3.575106 5.863126 1.356766 1.392293 1.375590 9.174812 11.248767 11.520542 6.342325 8.358969 8.684665 11.726681 11.908576 6.971514 7.353498 4.902311 4.654330 2.739846 2.314901 2.327033 0.000000 10.781997 11.821797 1.479442 9.803835 4.297900 6.135746 7.794386 5.041843 2.710019 4.848462 8.629456 9.970830 11.070138 6.516407 7.441034 8.751136 10.427876 11.439115 6.316536 7.811130 5.647122 6.435991 3.756918 4.879917 2.429329 4.102305 0.000000 2.781571 2.630924 9.735387 2.100424 8.080346 9.979146 8.644482 11.696470 11.574592 13.543950 3.349326 1.106086 2.573292 6.145914 3.936212 4.516222 2.191401 3.086276 5.321999 5.768702 7.593642 8.691620 9.450465 10.340999 10.240981 12.177243 10.830825 0.000000 2.691721 3.814692 8.081679 2.129223 6.650912 8.825037 7.792667 10.350239 10.018757 12.076639 2.677462 1.104353 3.374707 5.011983 2.632338 4.049180 2.176667 3.996211 3.951131 5.009075 6.363477 7.608996 8.004027 9.020095 8.678333 10.716851 9.131779 1.764969 0.000000 4.304135 2.695305 10.629613 2.104727 8.454218 9.721177 7.949919 11.754407 12.130414 13.837835 3.354571 2.599433 1.108538 6.144215 4.531063 3.935754 3.136716 2.174213 5.772891 5.324805 7.612504 8.372862 9.793872 10.386436 10.844348 12.477863 11.904433 2.409344 3.635169 0.000000 5.423102 3.439522 9.824803 2.114104 7.387850 8.281386 6.389731 10.418484 11.063365 12.589183 2.656580 3.382973 1.107004 4.982198 4.039724 2.608321 4.029024 2.177569 4.987928 3.928833 6.377598 6.942825 8.661218 9.073787 9.838795 11.255454 11.191672 3.617411 4.218411 1.770784 0.000000 3.664645 5.393059 6.401379 2.732479 4.881186 7.096593 6.248857 8.563796 8.258347 10.293883 2.200512 2.585974 4.194939 3.442965 1.093628 3.445092 2.936289 5.085038 2.147467 3.903576 4.656105 5.933872 6.215840 7.239403 6.919007 8.929747 7.545403 3.622966 2.068806 4.700831 4.604792 0.000000 6.489792 4.278654 8.321693 2.742669 5.770459 6.499717 4.764965 8.595777 9.348044 10.761964 2.201537 4.202392 2.593449 3.442381 3.446756 1.093774 5.110494 2.943196 3.900330 2.148891 4.706925 5.209553 6.963573 7.285872 8.188258 9.457421 9.723889 4.679770 4.603147 3.634091 2.070738 4.375024 0.000000 2.047823 5.432863 8.589587 2.796452 6.941765 8.755416 7.462863 10.452890 10.356821 12.297054 3.174753 2.194737 3.882181 5.194848 2.983659 4.457245 1.101485 5.191655 4.140293 5.293228 6.481109 7.509159 8.247418 9.111829 9.043224 10.936175 9.720555 3.106922 2.540065 3.810973 4.288884 2.413138 5.071051 0.000000 2.142043 4.675125 10.190620 2.786589 8.351990 9.948932 8.377325 11.819731 11.900063 13.773523 3.780589 2.196903 3.213580 6.324892 4.203951 4.908642 1.111744 4.532066 5.491640 6.044010 7.722874 8.634854 9.688825 10.452977 10.583044 12.403042 11.360607 2.547033 3.100800 2.656936 3.706803 3.851187 5.160263 1.792987 0.000000 6.571746 2.139413 11.053204 3.465879 8.781622 9.750227 8.030247 11.765209 12.327386 13.849947 4.229582 4.378204 2.188374 6.530626 5.608046 4.103614 5.452535 1.112129 6.582775 5.376390 7.876457 8.485081 10.028711 10.470336 11.126430 12.550234 12.342672 4.027051 5.071438 2.589034 2.411488 6.093301 3.298853 6.040928 5.196407 0.000000 6.164551 2.051592 9.413096 2.720362 7.292212 8.537945 7.108411 10.386539 10.756111 12.367795 3.116160 3.706319 2.188442 5.213027 4.350330 3.029316 5.068177 1.101482 5.223061 4.206982 6.531300 7.311649 8.539888 9.099995 9.548746 11.066757 10.660634 3.592061 4.059770 3.085073 2.626965 4.896707 2.515921 5.504638 5.179510 1.800013 0.000000 6.018944 7.277542 4.159524 4.640587 2.558788 4.993606 4.777424 6.193629 5.847364 7.858864 3.460660 4.959242 5.945920 2.165086 2.167698 3.902798 5.287526 6.703978 1.094749 3.414406 2.684270 4.055279 3.820747 4.917639 4.522073 6.500500 5.447333 5.976641 4.425828 6.681744 6.022662 2.468100 4.994120 4.529581 6.081455 7.609380 6.206570 0.000000 8.017504 6.489846 6.763218 4.627757 4.025936 4.149199 2.602328 6.277228 7.331461 8.496949 3.449474 5.936683 4.935518 2.188387 3.904378 2.152604 6.705322 5.268402 3.428215 1.096415 2.807170 2.944753 4.973196 5.024951 6.316606 7.241460 8.213437 6.645550 6.016111 5.959551 4.391587 4.997571 2.435156 6.318528 6.947232 5.632030 4.580979 4.331128 0.000000 0.990688 5.069656 10.569802 4.084581 9.268374 11.342913 10.102241 12.937053 12.577259 14.663261 5.101749 2.708502 4.740222 7.592470 5.153478 6.453434 2.025947 5.577540 6.473140 7.546155 8.943991 10.093605 10.600949 11.601462 11.240139 13.304896 11.522433 2.579969 2.995394 4.218088 5.584078 4.387542 6.814723 2.883165 2.417793 6.406087 6.147815 6.812810 8.541187 0.000000 5.418194 0.991016 11.547166 3.616281 9.647305 11.145515 9.611502 12.999641 13.165554 14.946174 4.819780 3.678603 2.804134 7.539171 5.915079 5.340210 4.746243 2.024503 7.153003 6.698321 8.972863 9.859909 10.974001 11.671571 11.888346 13.611499 12.698945 2.805059 4.306052 2.597164 3.701649 5.990119 4.916628 5.647352 4.595795 2.342195 2.873758 8.014663 7.237771 4.955243 0.000000 10.324955 9.784427 6.993049 7.507388 4.473550 2.453241 1.019382 4.696214 6.607289 7.001217 6.265552 8.706738 7.884132 4.036322 6.271025 5.215299 9.049474 8.500107 5.311155 4.005741 3.389421 2.054507 4.637005 3.820822 6.029400 5.979991 8.378743 9.582118 8.782763 8.752384 7.138785 7.242124 5.557931 8.357490 9.222529 8.757920 7.938933 5.737393 3.422877 11.029907 10.451568 0.000000 8.616143 8.158630 6.801130 5.764437 4.026807 3.252492 1.016601 5.602923 7.019578 7.927001 4.555548 6.968735 6.172370 2.709716 4.668906 3.556318 7.310491 6.893992 3.912498 2.475564 2.708573 2.097033 4.703218 4.415683 6.136613 6.724399 8.267895 7.842879 7.106749 7.022460 5.460825 5.661517 3.978335 6.663400 7.471070 7.222195 6.411373 4.547173 2.158736 9.294864 8.796903 1.768789 0.000000 14.270762 14.590645 4.745736 12.500920 6.029565 5.598369 7.905316 3.258808 2.494820 1.015703 11.130281 13.103626 13.501944 8.347908 10.244197 10.696487 13.578490 13.843588 8.872325 9.385664 6.936145 6.723201 4.679858 4.383934 3.830590 2.072776 4.590617 14.019406 12.492886 14.458902 13.281738 10.727544 11.475901 12.781252 14.309490 14.509480 12.971406 8.297679 9.275781 15.060875 15.496085 7.947238 8.785446 0.000000 14.501393 14.524452 5.597259 12.409046 6.058583 4.788118 7.068997 2.511306 3.265073 1.016442 11.008527 13.183123 13.272416 8.129931 10.287059 10.379794 13.655978 13.627856 8.897005 8.999397 6.656258 6.078460 4.706175 3.877703 4.381851 2.066105 5.848674 14.106965 12.700869 14.248055 12.914835 10.913406 11.058011 12.852203 14.276279 14.183260 12.766642 8.491132 8.714195 15.293767 15.409369 6.910119 8.031643 1.776241 0.000000 11.339354 12.680225 2.133343 10.500882 4.808266 6.339753 8.099982 5.039294 2.681199 4.573016 9.304277 10.665461 11.782715 7.089067 8.076688 9.419915 10.998916 12.249268 6.906637 8.429605 6.122305 6.764890 4.101517 5.054982 2.736804 3.996738 1.103152 11.573726 9.860195 12.591033 11.853124 8.163876 10.413476 10.218287 11.909398 13.144131 11.504910 5.984665 8.816854 12.128663 13.535444 8.601853 8.618752 4.220532 5.569552 0.000000 10.255031 11.523984 2.046677 9.581557 4.713796 6.894522 8.345160 6.032837 3.779279 5.947693 8.506833 9.593331 10.903860 6.703068 7.259691 8.797111 10.033990 11.267731 6.280773 8.002108 6.048848 7.019188 4.460496 5.720926 3.293869 5.168465 1.099366 10.415256 8.686575 11.684613 11.128106 7.217039 9.793233 9.371448 11.020252 12.226309 10.530744 5.360287 8.522104 10.967476 12.380476 9.015424 8.709410 5.673787 6.946821 1.818915 0.000000 11.555939 12.184509 2.133022 10.357845 4.761629 6.370804 8.163027 5.051621 2.690131 4.574552 9.172687 10.587375 11.564230 7.010152 8.075335 9.191114 11.164683 11.806783 6.947434 8.214123 6.083550 6.784225 4.093218 5.066362 2.735775 4.003747 1.103145 11.398089 9.739162 12.448951 11.682570 8.251293 10.104465 10.511093 12.093795 12.679364 10.959759 6.177466 8.512991 12.253576 13.096562 8.703679 8.703925 4.218250 5.572754 1.796130 1.818394 0.000000 0.3746229 0.0685221 0.0623236 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= 292 292 292 293 293 MxSgAt= 48 MxSgA2= 48. 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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= 20910 NPrTT= 107583 LenC2= 15719 LenP2D= 47954. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 312 RedAO= T EigKep= 5.08D-04 NBF= 312 NBsUse= 312 1.00D-06 EigRej= -1.00D+00 NBFU= 312 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= 293 294 294 294 294 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 0 1 -1267.28576566317 -1267.43525449323 -0.149488830069 -1267.65698069580 -0.221726202561 -1267.66938184656 -0.012401150769 -1267.69594956160 -0.026567715033 -1267.70098888397 -0.005039322375 -1267.70126018098 -0.000271297006 -1267.70128268231 -0.000022501332 -1267.70128974635 -0.000007064039 -1267.70141062781 -0.000120881456 -1267.70141996582 -0.000009338016 -1267.70141413823 0.000005827591 -1267.70142062284 -0.000006484612 -1267.70142088153 -0.000000258690 -1267.70142088216 -0.000000000629 -1267.70142088232 -0.000000000156 -1267.70142088238 -0.000000000061 -1267.70142088 17 1.262461358150e+03 -7.637322465140e+03 2.768417713725e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 314422 IEndB= 314422 NGot= 402653184 MDV= 402453059 LenX= 402453059 LenY= 402355274 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. -1.57184590e+00 -5.80182051e-01 9.72172486e-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 44 45 46 47 48 8 8 8 7 7 7 7 7 7 7 6 6 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 -0.003895039 0.006962883 -0.027280678 -0.013638037 -0.014366597 -0.020378797 -0.009873495 -0.005183852 -0.003823421 -0.000074214 -0.022991182 0.001046853 0.012606041 -0.009152556 -0.010890133 0.002643986 -0.001580374 0.000131250 0.000238180 0.000028464 -0.007731521 0.011131573 -0.004068115 -0.004535515 0.004234643 0.006991691 0.004741586 -0.005613346 -0.002108811 0.001432004 -0.018590708 0.006804475 0.001551440 -0.000592897 0.007817283 0.001327110 0.007179470 0.014355355 0.007635222 0.010090953 0.001606131 -0.000431910 -0.004394999 -0.000407710 -0.006668668 -0.004091418 -0.002747763 0.004284984 0.007989239 -0.000226151 -0.002066852 0.010197273 -0.001876993 0.001512500 0.003577044 -0.000103681 -0.005895121 0.002165613 0.001820533 0.006785799 -0.004272015 0.016356342 0.014676433 0.007319812 -0.006118719 0.001879969 0.004522932 0.002648554 0.000893042 -0.003762505 -0.002416885 -0.002424960 0.009163877 0.014494437 0.011970473 -0.017617986 0.002101459 0.001290680 -0.008459630 -0.002587265 -0.001883372 0.003735921 0.005672590 0.003117592 -0.002488562 0.004336880 0.005213955 0.003419171 -0.003493791 0.000676130 -0.003507814 -0.000658159 -0.006109627 -0.000789577 0.001854578 -0.001635980 -0.000300870 -0.002096344 0.003083861 -0.000184094 -0.003739146 0.006730422 0.000067554 0.000974757 0.008833434 0.003245854 0.000511783 0.006373379 0.001333430 0.005969331 0.006950321 0.001484951 0.000657630 -0.001360755 0.001441104 -0.000532504 0.002559772 -0.008262896 -0.007440706 -0.000735086 -0.009601661 0.001468867 0.004829087 0.007884870 0.002526829 0.003612908 -0.010691838 -0.003660734 -0.000867538 0.002440382 -0.007312463 -0.006439646 -0.001048361 0.006972511 0.004690472 0.004888024 0.000386000 -0.003586023 0.003722570 -0.005067926 -0.004102152 0.005027493 -0.003380939 0.001017077 0.027280678 0.006972427 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1267.72249055381 -1267.72249919359 -0.000008639779 -1267.72249878594 0.000000407646 -1267.72249930646 -0.000000520513 -1267.72249931937 -0.000000012914 -1267.72249932251 -0.000000003138 -1267.72249932278 -0.000000000273 -1267.72249932281 -0.000000000030 -1267.72249932283 -0.000000000020 -1267.72249932 9 1.261886874361e+03 -7.609246946978e+03 2.754668174515e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 314422 IEndB= 314422 NGot= 402653184 MDV= 402453059 LenX= 402453059 LenY= 402355274 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 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 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 V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.796460 -18.776644 -18.768786 -14.030931 -14.015711 -14.009621 -13.999185 -13.992510 -13.986032 -13.975915 -9.998798 -9.997842 -9.984270 -9.964691 -9.960535 -9.953050 -9.951573 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0.120419 0.125760 0.129717 0.133330 0.138010 0.144928 0.150700 0.156045 0.160290 0.170172 0.174780 0.177163 0.182990 0.185729 0.188218 0.192501 0.195984 0.197383 0.203050 0.209152 0.211748 0.214278 0.228249 0.234085 0.235611 0.245556 0.247097 0.251764 0.255185 0.261034 0.263114 0.266487 0.276069 0.279269 0.285520 0.293704 0.298677 0.300064 0.313768 0.316032 0.321519 0.325939 0.330684 0.331746 0.336027 0.337446 0.345719 0.350849 0.353280 0.355495 0.363139 0.369006 0.370795 0.373738 0.377596 0.385537 0.392604 0.397230 0.404747 0.409760 0.416436 0.421507 0.428276 0.430979 0.435235 0.439390 0.442692 0.448453 0.452971 0.460661 0.466114 0.474826 0.485355 0.489536 0.495880 0.498764 0.505812 0.516175 0.526112 0.537346 0.552992 0.555769 0.564171 0.574600 0.584640 0.591159 0.602047 0.608627 0.621755 0.628622 0.638203 0.642900 0.651024 0.663747 0.668984 0.673222 0.689933 0.702088 0.712244 0.723642 0.730422 0.740096 0.748166 0.762514 0.776087 0.782544 0.785179 0.790276 0.799482 0.813512 0.821959 0.826896 0.827176 0.837705 0.846400 0.855224 0.873868 0.884663 0.885284 0.903592 0.914817 0.926124 0.933304 0.940153 0.955084 0.964136 0.973500 0.980070 0.983218 1.012276 1.015915 1.039766 1.044352 1.056037 1.057041 1.062701 1.067199 1.084493 1.097131 1.108447 1.108752 1.123423 1.133388 1.139761 1.155247 1.160003 1.166722 1.184541 1.200866 1.212785 1.239553 1.247739 1.293064 1.321385 1.349097 1.369543 1.407743 1.447177 1.451246 1.484997 1.496199 1.509622 1.544102 1.572542 1.630015 1.650755 1.795123 22.298558 22.387732 22.462861 22.466854 22.486713 22.506505 22.524321 22.578461 22.579721 22.589511 22.604348 22.625898 22.636810 22.705071 22.714410 22.750443 22.801038 31.462428 31.476916 31.540438 31.551472 31.556991 31.570422 31.603812 41.458191 41.467592 41.556110 29.115771 29.119109 29.119126 22.047027 22.045525 22.045846 22.045153 22.045187 22.045125 22.045297 15.958111 15.954786 15.956218 15.955069 15.959920 15.957142 15.957742 15.959697 15.953887 15.958330 15.957455 15.952621 15.953941 15.953766 15.954357 15.954023 15.953989 2.476694 2.525478 2.538977 1.861490 1.855549 1.845983 1.970417 1.989040 2.060150 2.040354 1.619183 1.685506 1.566354 1.740481 1.617306 1.716814 1.757822 1.726117 1.765514 1.578309 1.691689 1.643447 1.504959 1.642822 1.492623 1.543473 1.360931 1.438551 1.644791 1.367297 1.508707 1.497191 1.517829 1.601777 1.706155 1.602810 1.246657 1.209102 1.331406 1.748618 1.369916 1.223586 1.345931 1.387865 1.307276 1.352213 1.386366 1.260128 1.297606 1.258740 1.347136 1.417850 1.387461 1.563377 1.775828 1.483115 2.245341 1.559141 1.884107 1.642171 1.950745 2.141326 1.934581 1.976653 1.921203 1.347313 1.946256 1.773947 1.685201 1.933617 1.674844 1.889294 1.747670 1.400754 1.928819 1.798814 1.459444 1.514291 2.066994 2.021263 1.392263 1.469206 1.493988 1.460389 1.454360 1.291057 1.379417 1.246589 1.349850 1.464459 1.411772 1.313057 1.569217 1.450798 2.061025 1.739750 1.449937 1.653456 1.873119 1.320143 1.626571 1.535989 1.531556 1.120688 1.792367 1.762614 1.793232 1.338132 1.555464 1.429449 2.176293 1.890212 1.671692 1.728561 1.291407 1.452546 1.594354 1.660907 1.471842 1.654333 1.353654 1.499946 1.458152 1.705801 1.600256 1.845284 1.600529 1.919014 1.584760 2.079910 1.776116 1.790629 1.807962 1.655648 1.839397 1.653979 1.692258 1.700232 1.963108 1.989647 1.849490 2.079030 2.053350 1.609130 2.014855 1.926186 1.665030 1.568383 2.053722 2.212929 2.169823 2.586671 2.254424 1.969883 2.048263 1.900874 1.752672 2.177062 2.535271 1.936197 2.250620 1.804046 2.137592 2.431743 2.601541 2.024524 2.469657 2.240717 2.282918 2.170633 1.899421 2.448089 2.300390 2.574525 2.200606 2.651247 2.249003 2.515023 2.798166 2.565966 2.704379 2.624885 2.528431 2.532145 2.053247 2.479114 2.181887 1.942823 2.330909 2.368066 1.982461 2.138821 2.171957 2.269390 2.323045 2.502041 2.571878 2.596668 2.598079 2.584401 2.576439 2.708314 2.691202 3.053967 2.622532 2.904131 2.550984 2.795381 2.718811 2.849650 2.652508 2.769356 2.700604 2.720405 3.100057 2.754374 2.734938 2.771050 2.779064 2.807685 2.765212 2.831227 2.982768 2.917063 2.887256 2.935149 2.507800 2.777257 2.734056 2.712227 2.704743 2.736935 2.813695 2.708991 2.591129 2.843813 2.791510 2.818599 2.737399 2.906514 2.645350 2.745447 2.783954 3.285789 2.852703 3.442390 3.716778 2.924588 3.039341 3.907701 3.837551 3.846417 3.354736 4.133000 4.236196 4.675666 4.562434 5.381461 57.411808 57.413791 57.407827 57.401038 57.407090 57.412559 57.390893 57.393711 57.394081 57.403490 57.403909 57.386127 57.397523 57.390959 57.391255 57.400847 57.382309 80.071720 80.071183 80.070185 80.070334 80.073336 80.068664 80.068512 105.852313 105.852128 105.841908 1.261886874361D+03 PT7357.200S 2018-03-16T16:54:03.000+01:00 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 44 45 46 47 48 O O O N N N N N N N C C 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 -0.422530 -0.434073 -0.209525 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AuxInfo=1/0/N:27,19,20,15,16,12,13,17,18,14,11,21,23,22,24,25,26,7,10,5,6,8,9,4,1,2,3/E:(2,3)(4,5)(6,7)(8,9)(25,26)/CRV:2.3,3.3,4.3,5.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,20.2,21.2,22.2,23.2/rA:48OOONN2N2NN2N2NC3CCC3C3C3CCC3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s4;s4;s4;;s11;s11;s1s12;s2s13;s14s15;s14s16;s5s14;s6s7s21;s5;s6s8s23;s3s9s23;s8s9s10;s3;s12;s12;s13;s13;s15;s16;s17;s17;s18;s18;s19;s20;s1;s2;s7;s7;s10;s10;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2080 CBGUSER 000270705 EM64L-G09RevD.01 16-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 138 C1[X(C17H21N7O3)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 350.22699999999975 0 1 AuxInfo=1/0/N:27,19,20,15,16,12,13,17,18,14,11,21,23,22,24,25,26,7,10,5,6,8,9,4,1,2,3/E:(2,3)(4,5)(6,7)(8,9)(25,26)/CRV:2.3,3.3,4.3,5.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,20.2,21.2,22.2,23.2/rA:48OOONN2N2NN2N2NC3CCC3C3C3CCC3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s4;s4;s4;;s11;s11;s1s12;s2s13;s14s15;s14s16;s5s14;s6s7s21;s5;s6s8s23;s3s9s23;s8s9s10;s3;s12;s12;s13;s13;s15;s16;s17;s17;s18;s18;s19;s20;s1;s2;s7;s7;s10;s10;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-13111.inp" -scrdir="/scratch/" chk=000270705-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 000270705 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 16 16 16 14 14 14 14 14 14 14 12 12 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 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 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 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 0 0 0 2 2 2 2 2 2 2 0 0 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 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 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| 0.000143 0.000045 0.078516 0.024971 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.224885e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2324.9693531566 312 732 312 98 98 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 48 48 48 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 0 0 0 0 0 350.22699999999975 AuxInfo=1/0/N:27,19,20,15,16,12,13,17,18,14,11,21,23,22,24,25,26,7,10,5,6,8,9,4,1,2,3/E:(2,3)(4,5)(6,7)(8,9)(25,26)/CRV:2.3,3.3,4.3,5.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,20.2,21.2,22.2,23.2/rA:48OOONN2N2NN2N2NC3CCC3C3C3CCC3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s4;s4;s4;;s11;s11;s1s12;s2s13;s14s15;s14s16;s5s14;s6s7s21;s5;s6s8s23;s3s9s23;s8s9s10;s3;s12;s12;s13;s13;s15;s16;s17;s17;s18;s18;s19;s20;s1;s2;s7;s7;s10;s10;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.400693 0.000000 9.813748 10.674296 0.000000 3.808023 3.124027 8.544879 0.000000 8.517865 8.803318 2.820169 6.484197 0.000000 10.589102 10.346982 4.849312 8.066831 2.856930 0.000000 9.400783 8.920610 6.359705 6.589040 3.689156 2.317218 0.000000 12.156245 12.140371 4.191099 9.942031 3.728314 2.364766 4.680749 0.000000 11.796621 12.273753 2.350286 10.125591 3.694525 4.175652 6.287693 2.463089 0.000000 13.872057 14.052153 4.686637 11.931764 5.485106 4.700663 7.015659 2.336876 2.336506 0.000000 4.620863 4.167048 7.309606 1.404929 5.113652 6.677160 5.308654 8.537996 8.779836 10.542646 0.000000 2.496355 3.344289 8.838982 1.473885 7.140405 9.053637 7.757405 10.765051 10.655024 12.620664 2.509960 0.000000 4.686567 2.509518 9.770595 1.469739 7.535027 8.772090 7.058331 10.789102 11.201350 12.872133 2.503025 2.517139 0.000000 6.912569 6.764286 5.062761 4.302654 2.424133 3.841366 3.018488 5.646777 6.098709 7.702580 2.897883 5.222317 5.216653 0.000000 4.488368 5.242420 6.170779 2.475550 4.252099 6.246835 5.270073 7.871191 7.820054 9.733702 1.433754 2.923436 3.823864 2.469756 0.000000 6.004215 4.643845 7.350039 2.477203 4.841546 5.874119 4.310825 7.896167 8.486705 10.020338 1.431053 3.827637 2.918624 2.471823 2.440952 0.000000 1.469099 4.641578 9.313995 2.519800 7.663342 9.506400 8.143935 11.238470 11.132703 13.096500 3.355851 1.549910 3.406245 5.805054 3.486592 4.669937 0.000000 5.695288 1.473110 10.183597 2.537538 8.033783 9.272660 7.686043 11.204360 11.588958 13.230360 3.365886 3.388107 1.547684 5.835351 4.671446 3.503945 4.607678 0.000000 5.743927 6.413308 4.963690 3.756665 2.875533 4.957963 4.305740 6.488753 6.469484 8.346668 2.470386 4.323538 4.971796 1.423417 1.401223 2.808383 4.801466 5.721364 0.000000 6.987311 5.948549 6.364022 3.762876 3.685603 4.474256 3.052805 6.514014 7.255299 8.674157 2.473410 4.981231 4.323928 1.422737 2.810470 1.407189 5.714393 4.831512 2.425797 0.000000 8.215674 8.168025 4.169752 5.783890 1.350978 2.479239 2.488019 4.167983 4.786637 6.252769 4.379140 6.657730 6.675157 1.482352 3.810031 3.848209 7.178560 7.229619 2.508674 2.560407 0.000000 9.361499 9.088507 5.012572 6.745056 2.429537 1.355084 1.380037 3.592087 4.957886 5.890709 5.366270 7.769999 7.435716 2.602326 5.025647 4.554471 8.226847 7.994537 3.819972 3.169251 1.470567 0.000000 9.831001 10.114339 2.413852 7.846071 1.373023 2.441485 4.096895 2.476745 2.443079 4.114702 6.466571 8.511629 8.860891 3.689586 5.619339 6.096578 9.005220 9.322174 4.234304 4.843682 2.344303 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8.541188 0.000000 5.418193 0.991016 11.547165 3.616281 9.647304 11.145514 9.611501 12.999641 13.165555 14.946174 4.819780 3.678602 2.804134 7.539170 5.915079 5.340210 4.746244 2.024503 7.153003 6.698320 8.972862 9.859909 10.974001 11.671570 11.888346 13.611498 12.698944 2.805058 4.306051 2.597164 3.701649 5.990118 4.916628 5.647351 4.595795 2.342195 2.873757 8.014663 7.237771 4.955242 0.000000 10.324955 9.784427 6.993048 7.507388 4.473550 2.453241 1.019382 4.696214 6.607290 7.001217 6.265552 8.706738 7.884132 4.036322 6.271025 5.215299 9.049473 8.500107 5.311155 4.005742 3.389421 2.054507 4.637005 3.820821 6.029399 5.979991 8.378742 9.582118 8.782763 8.752384 7.138784 7.242125 5.557931 8.357490 9.222528 8.757919 7.938933 5.737392 3.422877 11.029907 10.451568 0.000000 8.616143 8.158630 6.801130 5.764437 4.026806 3.252491 1.016600 5.602923 7.019578 7.927000 4.555548 6.968735 6.172370 2.709716 4.668905 3.556318 7.310491 6.893992 3.912497 2.475564 2.708572 2.097033 4.703217 4.415683 6.136612 6.724399 8.267894 7.842880 7.106750 7.022460 5.460825 5.661517 3.978335 6.663401 7.471069 7.222194 6.411373 4.547172 2.158737 9.294864 8.796903 1.768789 0.000000 14.270763 14.590645 4.745737 12.500921 6.029565 5.598369 7.905317 3.258808 2.494820 1.015703 11.130282 13.103627 13.501945 8.347909 10.244197 10.696487 13.578491 13.843588 8.872326 9.385665 6.936145 6.723201 4.679859 4.383935 3.830591 2.072777 4.590618 14.019407 12.492887 14.458902 13.281738 10.727544 11.475902 12.781252 14.309490 14.509480 12.971407 8.297680 9.275782 15.060876 15.496086 7.947238 8.785447 0.000000 14.501393 14.524451 5.597259 12.409046 6.058583 4.788119 7.068996 2.511305 3.265073 1.016442 11.008527 13.183123 13.272416 8.129931 10.287059 10.379795 13.655978 13.627856 8.897005 8.999397 6.656258 6.078459 4.706175 3.877703 4.381851 2.066105 5.848674 14.106965 12.700869 14.248055 12.914835 10.913407 11.058011 12.852203 14.276279 14.183259 12.766642 8.491131 8.714195 15.293767 15.409368 6.910118 8.031642 1.776242 0.000000 11.339354 12.680225 2.133344 10.500882 4.808266 6.339754 8.099982 5.039295 2.681199 4.573016 9.304277 10.665461 11.782715 7.089068 8.076688 9.419915 10.998916 12.249269 6.906638 8.429605 6.122305 6.764890 4.101518 5.054982 2.736805 3.996738 1.103152 11.573727 9.860196 12.591033 11.853124 8.163876 10.413476 10.218287 11.909398 13.144131 11.504911 5.984665 8.816855 12.128663 13.535444 8.601853 8.618752 4.220532 5.569552 0.000000 10.255032 11.523984 2.046677 9.581557 4.713796 6.894522 8.345159 6.032837 3.779278 5.947693 8.506833 9.593331 10.903860 6.703068 7.259690 8.797111 10.033990 11.267732 6.280773 8.002108 6.048848 7.019188 4.460496 5.720926 3.293869 5.168465 1.099366 10.415257 8.686575 11.684612 11.128106 7.217039 9.793233 9.371448 11.020252 12.226309 10.530744 5.360287 8.522104 10.967476 12.380476 9.015424 8.709410 5.673787 6.946821 1.818915 0.000000 11.555939 12.184509 2.133022 10.357845 4.761629 6.370805 8.163027 5.051622 2.690131 4.574552 9.172687 10.587375 11.564230 7.010153 8.075335 9.191115 11.164682 11.806783 6.947435 8.214124 6.083551 6.784225 4.093219 5.066362 2.735777 4.003747 1.103146 11.398090 9.739162 12.448950 11.682570 8.251293 10.104465 10.511093 12.093795 12.679364 10.959760 6.177466 8.512992 12.253576 13.096562 8.703679 8.703925 4.218250 5.572755 1.796130 1.818393 0.000000 C17H21N7O3 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 0 0 0 0 0 350.22699999999975 AuxInfo=1/0/N:27,19,20,15,16,12,13,17,18,14,11,21,23,22,24,25,26,7,10,5,6,8,9,4,1,2,3/E:(2,3)(4,5)(6,7)(8,9)(25,26)/CRV:2.3,3.3,4.3,5.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,20.2,21.2,22.2,23.2/rA:48OOONN2N2NN2N2NC3CCC3C3C3CCC3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;;;;s4;s4;s4;;s11;s11;s1s12;s2s13;s14s15;s14s16;s5s14;s6s7s21;s5;s6s8s23;s3s9s23;s8s9s10;s3;s12;s12;s13;s13;s15;s16;s17;s17;s18;s18;s19;s20;s1;s2;s7;s7;s10;s10;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3746229 0.0685221 0.0623236 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= 20910 NPrTT= 107583 LenC2= 15719 LenP2D= 47954. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 312 RedAO= T EigKep= 5.08D-04 NBF= 312 NBsUse= 312 1.00D-06 EigRej= -1.00D+00 NBFU= 312 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= 292 293 294 294 294 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 0 1 -1267.31615996228 -1267.46110975649 -0.144949794203 -1267.67555858430 -0.214448827809 -1267.69556742359 -0.020008839290 -1267.71688869972 -0.021321276131 -1267.72211939885 -0.005230699128 -1267.72243646698 -0.000317068131 -1267.72246853218 -0.000032065203 -1267.72247897487 -0.000010442685 -1267.72242898499 0.000049989880 -1267.72243796456 -0.000008979579 -1267.72243563285 0.000002331717 -1267.72243829246 -0.000002659609 -1267.72243836636 -0.000000073903 -1267.72243836683 -0.000000000473 -1267.72243836694 -0.000000000112 -1267.72243836703 -0.000000000087 -1267.72243837 17 1.261887150146e+03 -7.609247274891e+03 2.754668333221e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 314938 IEndB= 314938 NGot= 402653184 MDV= 402452543 LenX= 402452543 LenY= 402354758 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= 48. Will process 49 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 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= 402652388 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= 620000000 NMat= 147 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= 147 NMatS0= 147 NMatT0= 0 NMatD0= 147 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 2.10D-14 1.00D-09 XBig12= 1.88D+03 3.25D+01. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 2.10D-14 1.00D-09 XBig12= 3.77D+02 2.40D+00. 144 vectors produced by pass 2 Test12= 2.10D-14 1.00D-09 XBig12= 1.26D+00 9.56D-02. 144 vectors produced by pass 3 Test12= 2.10D-14 1.00D-09 XBig12= 7.12D-04 1.82D-03. 108 vectors produced by pass 4 Test12= 2.10D-14 1.00D-09 XBig12= 1.09D-07 2.86D-05. 17 vectors produced by pass 5 Test12= 2.10D-14 1.00D-09 XBig12= 1.24D-11 3.64D-07. 2 vectors produced by pass 6 Test12= 2.10D-14 1.00D-09 XBig12= 3.25D-15 3.06D-09. InvSVY: IOpt=1 It= 1 EMax= 2.66D-14 Solved reduced A of dimension 703 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 313.61 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 540.179 -19.889 260.210 -11.674 15.981 140.450 988.456 -74.210 545.623 -38.244 49.647 229.186 (Enter /mnt/data/applications/G09/g09/l716.exe) PT7929.500S 2018-03-16T17:28:07.000+01:00 -18.79646 -18.77664 -18.76879 -14.03093 -14.01570 -14.00962 -13.99919 -13.99251 -13.98603 -13.97592 -9.99880 -9.99784 -9.98427 -9.96469 -9.96053 -9.95304 -9.95157 -9.95107 -9.94385 -9.94011 -9.93818 -9.93396 -9.90795 -9.90710 -9.90426 -9.89984 -9.89892 -0.98388 -0.94288 -0.93482 -0.91499 -0.89427 -0.87658 -0.84761 -0.82421 -0.81480 -0.78226 -0.77025 -0.71294 -0.70919 -0.68625 -0.67336 -0.65476 -0.64115 -0.60831 -0.59989 -0.59253 -0.57659 -0.56519 -0.54666 -0.52811 -0.51962 -0.50024 -0.49616 -0.48956 -0.46947 -0.46608 -0.46214 -0.45684 -0.44356 -0.43720 -0.43178 -0.42419 -0.42098 -0.41731 -0.41192 -0.40076 -0.39879 -0.39044 -0.38581 -0.38127 -0.37204 -0.37078 -0.36232 -0.36029 -0.34754 -0.34078 -0.32931 -0.32752 -0.32163 -0.29994 -0.29482 -0.29334 -0.28983 -0.28837 -0.28315 -0.26190 -0.25526 -0.23804 -0.23195 -0.22905 -0.22666 -0.22457 -0.20855 -0.20120 -0.19086 -0.17661 -0.16220 -0.08141 -0.04977 -0.03752 -0.01274 -0.01085 0.02027 0.02470 0.04924 0.05057 0.06289 0.07016 0.07694 0.07778 0.08710 0.09261 0.10056 0.10516 0.10815 0.11424 0.11732 0.12042 0.12576 0.12972 0.13333 0.13801 0.14493 0.15070 0.15605 0.16029 0.17018 0.17478 0.17717 0.18299 0.18573 0.18822 0.19251 0.19599 0.19738 0.20305 0.20915 0.21176 0.21428 0.22826 0.23409 0.23561 0.24556 0.24710 0.25177 0.25519 0.26103 0.26310 0.26650 0.27607 0.27930 0.28552 0.29371 0.29869 0.30007 0.31378 0.31604 0.32152 0.32593 0.33068 0.33175 0.33602 0.33745 0.34574 0.35083 0.35329 0.35548 0.36314 0.36901 0.37080 0.37377 0.37761 0.38554 0.39265 0.39725 0.40475 0.40976 0.41644 0.42151 0.42828 0.43099 0.43523 0.43940 0.44271 0.44846 0.45297 0.46066 0.46612 0.47482 0.48538 0.48954 0.49587 0.49878 0.50583 0.51617 0.52612 0.53735 0.55300 0.55577 0.56418 0.57462 0.58464 0.59116 0.60204 0.60862 0.62175 0.62864 0.63820 0.64290 0.65103 0.66374 0.66899 0.67323 0.68993 0.70210 0.71224 0.72364 0.73042 0.74010 0.74817 0.76253 0.77608 0.78255 0.78518 0.79028 0.79948 0.81352 0.82196 0.82690 0.82718 0.83771 0.84640 0.85522 0.87387 0.88468 0.88529 0.90360 0.91482 0.92613 0.93330 0.94015 0.95509 0.96414 0.97351 0.98007 0.98323 1.01228 1.01591 1.03975 1.04435 1.05603 1.05706 1.06270 1.06719 1.08449 1.09713 1.10846 1.10876 1.12343 1.13339 1.13977 1.15524 1.16000 1.16671 1.18454 1.20086 1.21279 1.23955 1.24773 1.29305 1.32140 1.34909 1.36954 1.40773 1.44718 1.45124 1.48502 1.49618 1.50963 1.54410 1.57255 1.63002 1.65076 1.79512 22.29856 22.38774 22.46286 22.46685 22.48671 22.50651 22.52433 22.57847 22.57973 22.58951 22.60435 22.62590 22.63681 22.70507 22.71441 22.75045 22.80105 31.46242 31.47692 31.54044 31.55147 31.55699 31.57042 31.60381 41.45819 41.46759 41.55611 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 44 45 46 47 48 O O O N N N N N N N C C 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 -0.427416 -0.428844 -0.224193 -0.147758 0.026526 -0.003766 -0.635614 -0.038216 -0.111202 -0.585397 0.444630 -0.440473 -0.451831 0.326169 -0.363616 -0.390692 -0.320463 -0.317193 -0.410389 -0.439480 -0.023784 0.048613 -0.122870 -0.039967 0.127466 -0.047813 -0.508236 0.235296 0.248212 0.225612 0.222391 0.236888 0.221096 0.244213 0.185765 0.194124 0.251454 0.269336 0.266389 0.334257 0.333650 0.329773 0.341090 0.325890 0.333430 0.236444 0.233772 0.236728 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 20 21 22 23 24 25 26 27 O O O N N N N N N N C C C C C C C C C C C C C C C C C -0.093159 -0.095195 -0.224193 -0.147758 0.026526 -0.003766 0.035248 -0.038216 -0.111202 0.073922 0.444630 0.043035 -0.003828 0.326169 -0.126727 -0.169596 0.109514 0.128385 -0.141053 -0.173091 -0.023784 0.048613 -0.122870 -0.039967 0.127466 -0.047813 0.198708 0.00000 2.10209765e+00 -6.97814532e-01 -1.21445503e-01 5.40179064e+02 -1.98887881e+01 2.60209638e+02 -1.16740492e+01 1.59814297e+01 1.40449970e+02 -6.8646 -3.3046 -1.1864 -0.0007 -0.0001 0.0005 15.9650 19.8008 32.0357 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 15.5924 19.7920 32.0282 39.4530 51.0676 70.1139 78.3507 97.7448 103.7243 117.4698 123.2876 130.6427 144.6220 148.4982 182.6125 186.6104 219.9689 225.2757 246.3407 252.6347 281.1661 284.8762 303.6216 309.5623 313.9247 333.5855 345.8943 363.3194 404.0839 406.6383 427.1567 441.0137 456.0632 459.9133 463.5896 481.2214 492.3192 523.9473 541.9502 543.3313 556.1884 567.7684 586.2771 593.7171 630.4704 645.9547 653.9966 662.1096 712.0679 726.5495 737.7806 753.8730 762.0163 795.5279 801.8224 805.1623 810.0865 830.5641 831.7944 902.7493 909.8074 954.1387 960.4630 965.3614 970.0366 978.9511 992.6217 1010.2894 1018.7288 1025.9653 1038.0795 1042.5711 1050.5774 1070.1857 1111.1955 1134.0150 1141.3270 1146.4610 1165.4339 1178.3892 1205.6663 1214.0890 1229.0890 1261.9959 1281.0350 1288.1299 1291.9896 1293.2452 1319.9395 1326.6583 1335.8765 1346.4430 1362.9822 1364.4327 1372.3571 1376.8209 1380.8230 1396.7101 1397.0517 1422.0060 1432.9010 1449.3183 1452.8533 1458.8119 1459.9527 1466.0674 1471.6028 1477.2401 1482.2236 1497.4058 1522.7504 1527.0703 1545.4042 1555.3762 1602.0405 1609.5087 1627.1618 2951.8655 2956.9905 2977.6599 3000.3401 3005.6762 3030.1504 3060.9329 3094.1899 3095.7608 3101.9824 3122.9935 3142.8891 3148.0080 3156.2637 3169.4527 3525.2636 3554.3202 3559.7230 3560.8807 3683.3977 3722.2090 5.5390 5.9872 6.0557 5.0708 5.8034 4.0532 5.4076 4.1179 4.5193 2.4345 2.7462 4.2746 1.8591 1.8215 4.6278 5.3358 4.5854 4.7782 3.0585 3.7810 1.3807 7.1511 2.9809 1.6280 3.3539 2.8811 4.1870 3.3987 3.1724 3.5879 2.7652 4.7102 1.4630 3.5845 2.6105 1.6320 2.4870 2.7567 1.3843 2.0170 3.8073 3.7231 1.6262 4.2537 7.1856 5.0814 5.8216 9.0333 6.8623 5.2822 4.9989 5.8352 8.5356 1.2269 4.5348 9.2318 1.4115 1.7910 3.0860 2.1425 7.3575 1.4203 3.9275 4.7526 1.3797 2.9657 3.2440 2.0574 2.0889 3.6122 2.9242 1.8954 4.4642 1.5866 1.2551 1.7518 1.4284 1.6682 2.3089 1.5055 1.4144 1.7130 2.9327 1.4091 1.2876 5.4625 1.2662 4.4778 1.4182 1.3056 7.4552 1.3668 1.4021 2.8790 1.2361 2.8121 1.2918 2.8217 3.5186 2.3258 3.7288 1.0536 3.6520 1.0876 1.3152 1.1357 2.2141 1.0970 3.2772 1.1114 3.2480 5.7970 5.5672 4.7138 1.3891 1.7350 5.8520 1.0681 1.0698 1.0619 1.0291 1.0618 1.1010 1.0998 1.0967 1.0954 1.1042 1.0881 1.1048 1.0873 1.0934 1.0957 1.0445 1.0664 1.0663 1.0440 1.1048 1.1059 0.0008 0.0014 0.0037 0.0047 0.0089 0.0117 0.0196 0.0232 0.0286 0.0198 0.0246 0.0430 0.0229 0.0237 0.0909 0.1095 0.1307 0.1429 0.1094 0.1422 0.0643 0.3419 0.1619 0.0919 0.1947 0.1889 0.2951 0.2643 0.3052 0.3496 0.2973 0.5397 0.1793 0.4467 0.3306 0.2227 0.3552 0.4459 0.2396 0.3508 0.6939 0.7071 0.3293 0.8834 1.6828 1.2492 1.4671 2.3332 2.0500 1.6428 1.6032 1.9539 2.9202 0.4575 1.7178 3.5262 0.5458 0.7279 1.2580 1.0288 3.5882 0.7618 2.1346 2.6095 0.7649 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