Gaussian 09 GINC-KIMIK2077 CBGUSER 000089867 EM64L-G09RevD.01 17-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 220.18459999999993 0 1 AuxInfo=1/0/N:17,18,3,4,9,10,15,16,11,12,7,8,5,6,13,14,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:38NNCCC3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s5;s6;s5;s6;s7;s8;s1s11;s2s12;s9s13;s10s14;s7;s8;s3;s3;s4;s4;s9;s10;s11;s12;s15;s16;s17;s17;s17;s18;s18;s18;s1;s1;s2;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-20800.inp" -scrdir="/scratch/" chk=000089867.chk nprocshared=4 mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-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=-1,14=-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=-1,14=-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 000089867 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 14 14 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 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 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 2 2 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 1 1 1 2 2 2 3 3 3 3 4 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 14 15 16 17 17 17 18 18 18 13 35 36 14 37 38 4 5 19 20 6 21 22 7 9 8 10 11 17 12 18 15 23 16 24 13 25 14 26 15 16 27 28 29 30 31 32 33 34 1.4102 1.0114 1.0114 1.4102 1.0113 1.0114 1.5409 1.4933 1.097 1.0984 1.5092 1.0982 1.0967 1.395 1.3948 1.3868 1.3871 1.3948 1.4935 1.3949 1.4935 1.3948 1.0868 1.3949 1.0865 1.3948 1.0877 1.3948 1.0877 1.3949 1.3948 1.087 1.087 1.096 1.0947 1.0937 1.0959 1.0936 1.0948 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 13 13 35 14 14 37 4 4 4 5 5 19 3 3 3 6 6 21 3 3 7 4 4 8 5 5 11 6 6 12 5 5 15 6 6 16 7 7 13 8 8 14 1 1 11 2 2 12 9 9 13 10 10 14 7 7 7 29 29 30 8 8 8 32 32 33 1 1 1 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 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 35 36 36 37 38 38 5 19 20 19 20 20 6 21 22 21 22 22 7 9 9 8 10 10 11 17 17 12 18 18 15 23 23 16 24 24 13 25 25 14 26 26 11 15 15 12 16 16 13 27 27 14 28 28 29 30 31 30 31 31 32 33 34 33 34 34 120.0521 120.0364 119.9114 120.0514 120.0362 119.9123 113.9819 109.9401 109.4706 110.8704 108.6239 103.4081 113.217 109.6988 110.247 108.6905 110.812 103.7348 120.9793 119.0201 120.0005 120.4152 118.4451 121.1397 119.9949 120.9327 119.0724 119.4298 121.5008 119.0693 119.9997 120.7924 119.2076 119.4264 121.2011 119.3723 120.0061 120.2551 119.7388 120.0035 120.2627 119.7338 120.0168 119.9865 119.9967 120.0171 119.9822 120.0007 120.0021 119.2991 120.6989 119.9999 119.2967 120.7034 111.4568 110.6295 111.3822 106.9719 106.54 109.6846 111.4545 111.4197 110.6083 106.5271 106.9899 109.6647 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 35 35 36 36 37 37 38 38 5 5 5 19 19 19 20 20 20 4 4 19 19 20 20 3 3 21 21 22 22 3 3 9 9 3 3 7 7 4 4 10 10 4 4 8 8 5 5 17 17 5 5 5 11 11 11 6 6 18 18 6 6 6 12 12 12 5 5 23 23 6 6 24 24 7 7 25 25 8 8 26 26 1 1 11 11 2 2 12 12 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 13 13 13 13 14 14 14 14 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 9 9 9 9 8 8 8 8 10 10 10 10 11 11 11 11 17 17 17 17 17 17 12 12 12 12 18 18 18 18 18 18 15 15 15 15 16 16 16 16 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 11 15 11 15 12 16 12 16 6 21 22 6 21 22 6 21 22 7 9 7 9 7 9 8 10 8 10 8 10 11 17 11 17 15 23 15 23 12 18 12 18 16 24 16 24 13 25 13 25 29 30 31 29 30 31 14 26 14 26 32 33 34 32 33 34 13 27 13 27 14 28 14 28 1 15 1 15 2 16 2 16 9 27 9 27 10 28 10 28 -0.0606 179.9623 -179.9542 0.0688 -0.051 179.9618 -179.9629 0.0499 -179.1273 59.2755 -54.3563 55.6913 -65.9059 -179.5377 -57.2567 -178.8539 67.5142 -89.9802 90.0075 34.7057 -145.3066 147.6833 -32.329 90.0301 -90.0039 -147.8083 32.1577 -34.4344 145.5316 179.981 0.036 -0.0066 -179.9516 -179.9723 -0.1678 0.0155 179.82 179.9696 0.0165 0.0045 -179.9486 -179.9699 0.1957 -0.0042 -179.8386 -0.0027 179.9728 179.9433 -0.0812 174.7091 -66.4032 55.8678 -5.2364 113.6513 -124.0777 -0.0044 -179.9409 179.9498 0.0133 -174.5473 -55.699 66.5578 5.4994 124.3478 -113.3954 -0.0152 179.9395 -179.8227 0.1319 0.0038 -179.9629 179.8413 -0.1254 -179.9739 0.0031 0.0505 -179.9725 -179.983 0.0041 -0.0462 179.9409 179.9829 0.0288 0.0059 -179.9482 179.9834 -0.0505 -0.0038 179.9624 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 204 228 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 38 38 38 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= 11026 NPrTT= 55716 LenC2= 9619 LenP2D= 31016. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 220 RedAO= T EigKep= 4.05D-04 NBF= 220 NBsUse= 220 1.00D-06 EigRej= -1.00D+00 NBFU= 220 Using GEDIIS/GDIIS optimizer. local minimum Step number 8 out of a maximum of 204 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00128 0.00252 0.00645 0.00847 0.00852 0.01546 0.01556 0.01557 0.01557 0.01589 0.01601 0.01649 0.01685 0.01968 0.01974 0.02034 0.02155 0.02157 0.02157 0.02157 0.02158 0.02158 0.02161 0.02162 0.02180 0.02208 0.02239 0.04021 0.04199 0.05403 0.05451 0.07100 0.07171 0.07212 0.07223 0.08477 0.09385 0.12946 0.13114 0.15508 0.15976 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16002 0.16006 0.16028 0.16066 0.16282 0.21095 0.22001 0.22339 0.22386 0.23125 0.23480 0.24072 0.24605 0.24985 0.24990 0.25000 0.25021 0.25078 0.25596 0.26644 0.31535 0.32986 0.33070 0.33533 0.33873 0.34036 0.34089 0.34134 0.34207 0.34268 0.34299 0.34319 0.34434 0.34930 0.35076 0.35131 0.35159 0.35192 0.35232 0.35440 0.42234 0.42407 0.42927 0.43436 0.43573 0.43971 0.45693 0.45741 0.45744 0.45759 0.46069 0.46439 0.46487 0.46490 0.46534 0.46909 0.47705 0.55218 RFO step: Lambda=-6.96218252D-08. 1 2 0.00071058 0.00000046 0.00000044 0.00000006 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 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 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 2.64536 1.91836 1.91836 2.64535 1.91836 1.91836 2.96340 2.87489 2.09084 2.09225 2.87497 2.09226 2.09085 2.70100 2.67862 2.70102 2.67857 2.67139 2.87534 2.67137 2.87534 2.66166 2.07514 2.66170 2.07513 2.69029 2.07557 2.69032 2.07558 2.68764 2.68761 2.07339 2.07339 2.08560 2.09188 2.09041 2.08560 2.09039 2.09188 2.10924 2.10776 2.06618 2.10924 2.10776 2.06618 1.97016 1.88363 1.89141 1.94301 1.91746 1.85371 1.97027 1.89132 1.88365 1.91743 1.94298 1.85372 2.13361 2.09053 2.05849 2.13359 2.09051 2.05853 2.08956 2.11528 2.07828 2.08953 2.11532 2.07826 2.13788 2.07105 2.07425 2.13786 2.07109 2.07423 2.12708 2.07848 2.07762 2.12709 2.07850 2.07760 2.10700 2.11146 2.06472 2.10698 2.11149 2.06472 2.08863 2.10057 2.09397 2.08864 2.10055 2.09398 1.94019 1.94563 1.95146 1.87846 1.87980 1.86446 1.94018 1.95146 1.94562 1.87981 1.87845 1.86449 -0.00187 3.13598 3.13851 -0.00682 0.00206 -3.13580 -3.13883 0.00650 -3.14141 1.01389 -0.98654 0.98694 -1.14094 -3.14136 -1.01351 -3.14139 1.14137 -1.52269 1.58218 0.59891 -2.57941 2.64733 -0.53099 1.52274 -1.58227 -2.64734 0.53084 -0.59895 2.57923 3.10316 -0.05108 -0.00235 3.12660 -3.10353 0.04312 0.00290 -3.13363 -3.10324 0.05115 0.00241 -3.12639 3.10357 -0.04303 -0.00300 3.13359 -0.00021 3.13841 -3.12943 0.00920 3.10605 -1.08125 1.00449 -0.04811 2.04778 -2.14967 0.00021 -3.13839 3.12929 -0.00931 -3.10598 -1.00442 1.08135 0.04833 2.14988 -2.04753 -0.00082 -3.13639 3.13570 0.00013 0.00089 3.13644 -3.13569 -0.00014 3.14026 0.00231 0.00164 -3.13632 -3.14030 -0.00235 -0.00170 3.13626 -3.13973 -0.00414 -0.00179 3.13381 3.13974 0.00416 0.00179 -3.13378 -0.00005 0.00000 0.00000 -0.00004 0.00000 0.00000 -0.00011 0.00005 0.00002 0.00000 0.00003 -0.00001 0.00001 0.00000 -0.00001 -0.00002 0.00001 -0.00002 0.00000 -0.00001 0.00000 -0.00003 0.00001 -0.00004 0.00001 -0.00001 0.00001 -0.00002 0.00001 0.00003 0.00003 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00002 -0.00001 -0.00003 -0.00001 0.00001 0.00000 0.00001 0.00002 -0.00001 -0.00002 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00002 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00002 -0.00002 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00051 0.00020 0.00005 0.00003 0.00019 0.00002 0.00003 0.00000 0.00000 -0.00001 0.00003 0.00002 0.00005 0.00004 0.00004 -0.00002 0.00004 -0.00004 0.00004 0.00002 0.00002 0.00000 0.00001 0.00006 0.00006 0.00000 0.00000 0.00000 0.00001 0.00005 -0.00001 0.00007 0.00002 -0.00002 -0.00007 0.00009 -0.00003 -0.00007 0.00009 0.00016 0.00015 0.00025 -0.00035 -0.00019 0.00000 0.00002 0.00033 0.00019 -0.00021 -0.00034 0.00003 0.00004 -0.00001 -0.00003 0.00006 -0.00002 -0.00003 -0.00001 0.00001 0.00000 -0.00001 0.00003 -0.00002 0.00006 -0.00009 0.00003 0.00007 -0.00010 0.00003 0.00004 -0.00008 0.00004 0.00003 -0.00008 0.00005 0.00002 0.00002 -0.00004 0.00001 0.00001 -0.00002 -0.00002 0.00003 0.00000 -0.00003 0.00004 0.00000 -0.00003 0.00012 -0.00014 0.00007 0.00009 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0.00012 0.00003 0.00015 -0.00001 0.00005 -0.00011 -0.00010 -0.00010 0.00000 0.00000 0.00006 0.00000 0.00005 -0.00001 0.00027 0.00030 0.00026 0.00028 0.00031 0.00027 -0.00006 -0.00003 0.00010 0.00013 -0.00020 -0.00018 -0.00024 -0.00035 -0.00034 -0.00040 -0.00006 -0.00010 0.00003 -0.00001 -0.00004 0.00004 -0.00004 0.00004 -0.00003 0.00001 0.00003 0.00007 0.00002 0.00002 -0.00001 -0.00001 0.00002 0.00007 -0.00001 0.00003 0.00003 -0.00005 0.00003 -0.00004 -0.00010 0.00000 0.00000 -0.00009 0.00000 0.00000 -0.00058 0.00024 0.00006 -0.00001 0.00018 -0.00001 0.00005 0.00000 -0.00001 -0.00003 0.00003 -0.00001 0.00001 0.00000 0.00000 -0.00007 0.00004 -0.00010 0.00004 -0.00002 0.00003 -0.00004 0.00003 0.00008 0.00010 0.00001 0.00001 -0.00001 0.00001 0.00005 -0.00001 0.00007 0.00002 0.00001 -0.00002 0.00000 0.00001 -0.00002 0.00001 0.00016 0.00029 0.00007 -0.00031 -0.00024 0.00004 0.00002 0.00020 0.00027 -0.00022 -0.00029 0.00005 0.00008 -0.00004 -0.00004 0.00008 -0.00002 -0.00006 0.00000 0.00007 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0.00010 0.00011 0.00013 0.00014 0.00016 0.00021 0.00013 0.00018 -0.00011 -0.00020 -0.00012 -0.00021 2.64526 1.91836 1.91836 2.64526 1.91836 1.91836 2.96282 2.87513 2.09090 2.09225 2.87515 2.09224 2.09089 2.70099 2.67862 2.70099 2.67860 2.67137 2.87535 2.67137 2.87534 2.66159 2.07517 2.66160 2.07517 2.69027 2.07561 2.69028 2.07561 2.68772 2.68771 2.07340 2.07340 2.08559 2.09190 2.09046 2.08559 2.09046 2.09190 2.10926 2.10774 2.06619 2.10926 2.10774 2.06619 1.97032 1.88392 1.89148 1.94270 1.91723 1.85375 1.97029 1.89152 1.88392 1.91721 1.94269 1.85377 2.13369 2.09048 2.05845 2.13366 2.09049 2.05847 2.08956 2.11535 2.07821 2.08955 2.11535 2.07822 2.13794 2.07095 2.07428 2.13794 2.07097 2.07427 2.12712 2.07841 2.07765 2.12712 2.07842 2.07764 2.10702 2.11149 2.06467 2.10701 2.11149 2.06468 2.08862 2.10061 2.09394 2.08861 2.10061 2.09395 1.94017 1.94573 1.95128 1.87856 1.87992 1.86435 1.94016 1.95129 1.94572 1.87992 1.87856 1.86434 -0.00172 3.13610 3.13890 -0.00646 0.00190 -3.13597 -3.13911 0.00621 3.14152 1.01377 -0.98695 0.98677 -1.14097 3.14149 -1.01391 3.14153 1.14081 -1.52307 1.58181 0.59878 -2.57952 2.64691 -0.53138 1.52301 -1.58184 -2.64696 0.53138 -0.59883 2.57952 3.10325 -0.05079 -0.00227 3.12687 -3.10357 0.04301 0.00288 -3.13372 -3.10324 0.05076 0.00225 -3.12694 3.10357 -0.04304 -0.00284 3.13374 -0.00024 3.13837 -3.12965 0.00896 3.10731 -1.07981 1.00574 -0.04665 2.04941 -2.14822 0.00024 -3.13839 3.12970 -0.00893 -3.10725 -1.00568 1.07987 0.04666 2.14824 -2.04940 -0.00090 -3.13652 3.13569 0.00007 0.00087 3.13651 -3.13570 -0.00006 3.14016 0.00224 0.00154 -3.13638 -3.14020 -0.00223 -0.00157 3.13640 -3.13957 -0.00393 -0.00166 3.13398 3.13963 0.00396 0.00167 -3.13399 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000105 0.000013 0.003220 0.000711 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.062816e-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 1 1 1 2 2 2 3 3 3 3 4 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 14 15 16 17 17 17 18 18 18 13 35 36 14 37 38 4 5 19 20 6 21 22 7 9 8 10 11 17 12 18 15 23 16 24 13 25 14 26 15 16 27 28 29 30 31 32 33 34 1.3999 1.0152 1.0152 1.3999 1.0152 1.0152 1.5682 1.5213 1.1064 1.1072 1.5214 1.1072 1.1064 1.4293 1.4175 1.4293 1.4174 1.4136 1.5216 1.4136 1.5216 1.4085 1.0981 1.4085 1.0981 1.4236 1.0983 1.4237 1.0983 1.4222 1.4222 1.0972 1.0972 1.1037 1.107 1.1062 1.1037 1.1062 1.107 -DE/DX = 0.0|-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 = 0.0001|-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 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 13 13 35 14 14 37 4 4 4 5 5 19 3 3 3 6 6 21 3 3 7 4 4 8 5 5 11 6 6 12 5 5 15 6 6 16 7 7 13 8 8 14 1 1 11 2 2 12 9 9 13 10 10 14 7 7 7 29 29 30 8 8 8 32 32 33 1 1 1 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 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 35 36 36 37 38 38 5 19 20 19 20 20 6 21 22 21 22 22 7 9 9 8 10 10 11 17 17 12 18 18 15 23 23 16 24 24 13 25 25 14 26 26 11 15 15 12 16 16 13 27 27 14 28 28 29 30 31 30 31 31 32 33 34 33 34 34 120.8508 120.7657 118.3835 120.8508 120.7659 118.3833 112.8818 107.924 108.3699 111.3264 109.8626 106.2097 112.8884 108.3647 107.9254 109.8609 111.3244 106.2102 122.2466 119.7784 117.9429 122.2455 119.7774 117.9452 119.723 121.1966 119.0765 119.7213 121.1991 119.0755 122.4916 118.6622 118.8456 122.4903 118.6645 118.8446 121.8728 119.088 119.039 121.8732 119.0891 119.0375 120.7222 120.9779 118.2996 120.721 120.9792 118.2995 119.6698 120.3535 119.9758 119.6702 120.3526 119.9764 111.1648 111.4764 111.8104 107.6277 107.7047 106.8258 111.1641 111.8103 111.4756 107.7051 107.6273 106.8274 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 35 35 36 36 37 37 38 38 5 5 5 19 19 19 20 20 20 4 4 19 19 20 20 3 3 21 21 22 22 3 3 9 9 3 3 7 7 4 4 10 10 4 4 8 8 5 5 17 17 5 5 5 11 11 11 6 6 18 18 6 6 6 12 12 12 5 5 23 23 6 6 24 24 7 7 25 25 8 8 26 26 1 1 11 11 2 2 12 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 13 13 13 13 14 14 14 14 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 9 9 9 9 8 8 8 8 10 10 10 10 11 11 11 11 17 17 17 17 17 17 12 12 12 12 18 18 18 18 18 18 15 15 15 15 16 16 16 16 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 11 15 11 15 12 16 12 16 6 21 22 6 21 22 6 21 22 7 9 7 9 7 9 8 10 8 10 8 10 11 17 11 17 15 23 15 23 12 18 12 18 16 24 16 24 13 25 13 25 29 30 31 29 30 31 14 26 14 26 32 33 34 32 33 34 13 27 13 27 14 28 14 28 1 15 1 15 2 16 2 16 9 27 9 27 10 28 10 -0.1073 179.6787 179.8232 -0.3909 0.1181 -179.6679 -179.8416 0.3724 180.0102 58.0916 -56.5245 56.5478 -65.3709 180.0131 -58.0696 180.0118 65.3957 -87.2436 90.6523 34.3148 -147.7892 151.6807 -30.4234 87.2464 -90.6575 -151.6812 30.4149 -34.3171 147.779 177.7981 -2.9264 -0.1347 179.1408 -177.8194 2.4705 0.1662 -179.5438 -177.8023 2.9305 0.1382 -179.129 177.8213 -2.4655 -0.1719 179.5414 -0.012 179.8177 -179.3029 0.5268 177.9635 -61.9511 57.5531 -2.7564 117.329 -123.1668 0.0123 -179.8162 179.2952 -0.5334 -177.9593 -57.5489 61.9568 2.7688 123.1792 -117.3151 -0.0469 -179.702 179.6627 0.0076 0.0508 179.7047 -179.662 -0.0081 179.9238 0.1322 0.0939 -179.6976 -179.926 -0.1344 -0.0974 179.6943 -179.8935 -0.2371 -0.1025 179.5539 179.8937 0.2385 0.1027 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 220.18459999999993 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1.408512 8.046189 2.443215 8.845509 1.422223 8.404403 0.000000 4.983074 8.462386 3.029923 3.664945 2.571194 4.742093 1.521564 6.022674 3.850349 4.845224 2.530639 7.097363 3.857869 7.172977 4.365850 6.135454 0.000000 8.461753 4.983050 3.665172 3.029994 4.741936 2.571239 6.022515 1.521565 4.844778 3.850374 7.097020 2.530622 7.172442 3.857873 6.134841 4.365861 6.539685 0.000000 6.311604 6.321963 1.106424 2.179736 2.182415 2.774510 2.771619 3.777409 3.409747 3.168027 4.156250 4.781705 4.933588 5.035447 4.618655 4.328178 2.691718 4.345841 0.000000 6.250045 6.384880 1.107174 2.186164 2.164454 2.793711 3.440670 3.184454 2.675118 3.812467 4.596759 4.363072 4.874948 5.094902 4.068001 4.852217 4.032134 3.146769 1.770292 0.000000 6.384818 6.250022 2.186098 1.107176 2.793652 2.164470 3.184287 3.440692 3.812471 2.675058 4.362927 4.596751 5.094825 4.874924 4.852203 4.067966 3.146353 4.032191 2.527193 3.090449 0.000000 6.321383 6.311572 2.179759 1.106429 2.774204 2.182429 3.776952 2.771623 3.167680 3.409694 4.781152 4.156230 5.034894 4.933562 4.327710 4.618618 4.345347 2.691762 3.080880 2.527466 1.770304 0.000000 4.615953 8.486182 2.723655 3.475989 2.169849 4.612640 3.433460 4.866607 1.098116 5.829285 3.892616 6.205394 3.436747 7.169747 2.163818 6.993222 4.735963 4.150154 3.701710 2.440026 4.134462 3.051976 0.000000 8.486560 4.615958 3.476129 2.723671 4.612897 2.169846 4.867066 3.433483 5.829443 1.098110 6.205853 3.892621 7.170091 3.436742 6.993434 2.163821 4.150681 4.736003 3.052168 4.134422 2.439969 3.701674 6.045123 0.000000 2.682977 10.910920 4.752052 5.462106 3.449700 6.855824 2.171267 7.979745 3.892859 7.276816 1.098347 9.239757 2.179707 9.559676 3.437673 8.642442 2.712418 8.075414 4.873285 5.557181 5.008043 5.672920 4.990949 6.674876 0.000000 10.910536 2.682940 5.462335 4.752092 6.855798 3.449701 7.979844 2.171273 7.276486 3.892872 9.239701 1.098349 9.559376 2.179705 8.641991 3.437662 8.075749 2.712412 5.673525 5.008262 5.557191 4.873290 6.674374 4.990956 10.118149 0.000000 2.702518 10.889519 4.721880 5.455970 3.465827 6.821717 3.941946 7.245382 2.179345 7.937301 3.443115 8.623589 2.187670 9.539055 1.097190 9.216692 5.462998 6.509211 5.554538 4.754247 5.745279 4.972569 2.492772 7.930597 4.351358 9.115033 0.000000 10.889862 2.702540 5.456156 4.721888 6.821963 3.465799 7.245903 3.941957 7.937366 2.179353 8.624097 3.443122 9.539368 2.187665 9.216800 1.097190 6.509943 5.463008 4.972992 5.745256 4.754190 5.554488 7.930441 2.492757 9.115648 4.351351 10.083179 0.000000 4.923444 9.403972 4.119227 4.677037 3.485224 5.760431 2.178490 7.076209 4.617868 5.762638 2.615744 8.134231 4.038919 8.139625 4.856056 7.025304 1.103652 7.601300 3.780302 5.113403 4.030031 5.297797 5.595492 4.957760 2.326832 9.131913 5.932680 7.297881 0.000000 5.648494 8.172077 3.050677 3.943234 2.912975 4.780887 2.184921 6.004866 4.229693 4.759722 3.253966 6.959416 4.500960 6.951331 4.883321 5.924686 1.106976 6.617185 2.369175 3.904651 3.626891 4.770556 5.004757 4.105276 3.459843 7.927801 5.958618 6.242016 1.784205 0.000000 5.697498 7.734088 2.957288 3.114908 2.889051 4.072777 2.188500 5.443695 4.224340 4.036284 3.291129 6.463774 4.536815 6.448796 4.901652 5.339772 1.106198 6.113866 2.637894 4.046524 2.370503 3.873615 4.991266 3.252687 3.513086 7.487872 5.980663 5.682432 1.784453 1.777071 0.000000 9.403266 4.923395 4.677238 4.119289 5.760256 3.485251 7.076048 2.178482 5.762145 4.617878 8.133869 2.615714 8.139038 4.038904 7.024620 4.856045 7.601334 1.103652 5.298303 4.030386 5.113460 3.780361 4.957165 5.595514 9.131569 2.326812 7.297041 5.932670 8.673445 7.619731 7.186767 0.000000 7.733444 5.697571 3.115111 2.957282 4.072576 2.889071 5.443509 2.188493 4.035775 4.224398 6.463414 3.291176 6.448239 4.536898 5.339115 4.901732 6.113862 1.106187 3.874116 2.370966 4.046512 2.637834 3.252056 4.991337 7.487533 3.513160 5.681658 5.980752 7.186725 6.139228 5.868433 1.784449 0.000000 8.171365 5.648346 3.943541 3.050849 4.780777 2.913053 6.004645 2.184912 4.759361 4.229677 6.958980 3.253857 6.950741 4.500857 5.924096 4.883250 6.617049 1.106975 4.771016 3.627472 3.904800 2.369348 4.104953 5.004775 7.927327 3.459722 6.241333 5.958535 7.619539 6.874284 6.139069 1.784200 1.777081 0.000000 1.015152 12.798240 6.376271 7.095153 4.868609 8.589547 4.078896 9.504365 4.552667 9.271509 2.671078 10.863877 2.108936 11.413612 3.377483 10.662211 5.075805 9.240390 6.774202 6.937222 6.813223 6.972962 5.506522 8.816122 2.465879 11.613555 3.714343 11.261178 4.792506 5.766047 5.824398 10.218119 8.547533 8.952395 0.000000 1.015150 12.796600 6.371908 7.096355 4.876583 8.582725 4.582081 9.270110 4.071507 9.490553 3.376001 10.663977 2.108075 11.411971 2.673809 10.858185 5.899874 8.735015 6.986617 6.699330 7.044568 6.757300 4.781154 9.227503 3.695145 11.280965 2.488870 11.592024 5.909579 6.537440 6.583487 9.613273 7.975089 8.403312 1.743798 0.000000 12.798124 1.015152 7.095391 6.376280 8.589641 4.868576 9.504682 4.078874 9.271302 4.552678 10.864083 2.671062 11.413546 2.108934 10.661936 3.377480 9.240995 5.075756 6.973604 6.813348 6.937184 6.774148 8.815689 5.506520 11.613864 2.465825 11.260725 3.714362 10.218786 8.953133 8.548130 4.792432 5.824471 5.765841 13.399269 13.283722 0.000000 12.796792 1.015151 7.096644 6.371944 8.582970 4.876573 9.270627 4.582089 9.490535 4.071544 10.664433 3.376004 11.412172 2.108075 10.858156 2.673826 8.735814 5.899862 6.757960 7.044690 6.699299 6.986574 9.227241 4.781175 11.281542 3.695110 11.591837 2.488909 9.614167 8.404199 7.975873 5.909538 6.583613 6.537263 13.284044 13.396430 1.743796 0.000000 1.1895275 0.1571910 0.1417178 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= 214 214 214 214 214 MxSgAt= 38 MxSgA2= 38. 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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 38 38 38 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= 11026 NPrTT= 55716 LenC2= 9551 LenP2D= 30699. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 220 RedAO= T EigKep= 4.62D-04 NBF= 220 NBsUse= 220 1.00D-06 EigRej= -1.00D+00 NBFU= 220 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= 214 214 214 214 214 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 0 1 -729.823488915901 -729.961291532407 -0.137802616506 -730.194249924147 -0.232958391740 -730.195779705221 -0.001529781073 -730.217493248305 -0.021713543085 -730.217823400145 -0.000330151840 -730.217834148788 -0.000010748643 -730.217836342118 -0.000002193330 -730.218012808856 -0.000176466738 -730.218013063808 -0.000000254952 -730.218013130579 -0.000000066771 -730.218013300895 -0.000000170317 -730.218013309324 -0.000000008428 -730.218013309437 -0.000000000113 -730.218013309472 -0.000000000036 -730.218013309494 -0.000000000022 -730.218013309 16 7.274298811372e+02 -4.132149779596e+03 1.457255618230e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=301063491. IVT= 166466 IEndB= 166466 NGot= 402653184 MDV= 106986514 LenX= 106986514 LenY= 106937673 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -9.44955315e-04 -7.32587008e-03 -7.77088212e-03 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 7 7 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 -0.008847553 0.000647279 -0.001625379 0.008820671 -0.000400306 0.001730164 -0.006758339 -0.003123108 -0.008724759 -0.000886217 0.003516010 0.006429345 -0.016541912 -0.005931110 -0.004821855 0.035919215 0.005363334 0.009493953 0.007604455 0.011627887 0.004408398 -0.012821492 -0.015784999 -0.005643371 0.007884985 -0.004552590 0.001547770 -0.012585319 0.008449617 -0.002286961 -0.000011935 0.008296149 0.000886522 -0.000832385 -0.009058957 -0.001101906 0.034957911 -0.003525182 0.005777949 -0.034871462 0.002944983 -0.006212710 -0.004790702 -0.018248236 -0.001631696 0.003956535 0.019534004 0.001459584 0.002145608 0.009381764 0.001253991 -0.001708391 -0.009043319 -0.001035706 -0.003381947 0.007268023 0.000665525 -0.003867767 -0.006714854 -0.001423156 0.003523316 0.006643939 0.001563180 0.003426243 -0.007129815 -0.000592967 -0.004936561 -0.004368984 -0.001730838 0.004903794 0.004254474 0.001739677 0.003031277 0.005436875 0.001026400 -0.003087081 -0.005457658 -0.001043596 0.004936457 -0.005396846 0.000322975 -0.005157253 0.005339786 -0.000481418 0.004365891 0.003437264 0.000907289 -0.006377644 0.003374936 -0.005080371 -0.008255679 0.001405422 0.001501492 -0.004394265 -0.003390726 -0.000934100 0.008372109 -0.001310455 -0.001398225 0.006289562 -0.003259614 0.005166681 0.003409829 0.001072896 0.000652211 0.003204480 -0.001702779 0.000461951 -0.003448835 -0.001216379 -0.000700618 -0.003189598 0.001621271 -0.000525422 0.035919215 0.008185160 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -730.231799771713 -730.231838026257 -0.000038254544 -730.232031271472 -0.000193245215 -730.232031309950 -0.000000038478 -730.232031565716 -0.000000255766 -730.232031750060 -0.000000184344 -730.232031762721 -0.000000012662 -730.232031763219 -0.000000000497 -730.232031763287 -0.000000000068 -730.232031763274 0.000000000013 -730.232031763 10 7.263028502611e+02 -4.092160394770e+03 1.437936227036e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=301063491. IVT= 166466 IEndB= 166466 NGot= 402653184 MDV= 106986514 LenX= 106986514 LenY= 106937673 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 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 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3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 H 1S 2S 20 H 1S 2S 21 H 1S 2S 22 H 1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 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 1 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 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 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S 1.15902 0.83143 0.80895 0.75492 0.95659 0.97815 1.22188 0.21268 0.21734 0.56461 1.15902 0.83143 0.80895 0.75492 0.95656 0.97815 1.22191 0.21264 0.21735 0.56464 1.17428 0.81409 0.72020 0.71894 0.86270 0.93269 0.86968 0.09591 0.25794 0.14370 1.17428 0.81409 0.72019 0.71897 0.86269 0.93269 0.86968 0.09591 0.25788 0.14371 1.17435 0.81395 0.74680 0.42300 0.88949 0.90200 0.80400 -0.14425 -0.20130 0.18859 1.17435 0.81395 0.74680 0.42302 0.88948 0.90200 0.80400 -0.14427 -0.20132 0.18862 1.17442 0.81389 0.75477 0.41635 0.90925 0.89649 0.76538 -0.12643 -0.14417 0.19416 1.17442 0.81389 0.75477 0.41635 0.90925 0.89649 0.76537 -0.12643 -0.14420 0.19420 1.17440 0.81401 0.75220 0.54239 0.91484 0.92646 0.76767 0.11398 0.13874 0.26024 1.17440 0.81401 0.75220 0.54239 0.91484 0.92647 0.76766 0.11397 0.13878 0.26025 1.17430 0.81406 0.74155 0.55296 0.91268 0.89949 0.82754 0.23725 0.18485 0.28789 1.17430 0.81406 0.74155 0.55296 0.91269 0.89949 0.82753 0.23723 0.18487 0.28790 1.17444 0.81410 0.76812 0.31256 0.82224 0.95093 0.78319 -0.06471 -0.24530 0.16809 1.17444 0.81410 0.76812 0.31255 0.82224 0.95093 0.78318 -0.06470 -0.24531 0.16811 1.17431 0.81415 0.74147 0.54569 0.91125 0.90365 0.82238 0.15411 0.11740 0.27009 1.17431 0.81415 0.74147 0.54569 0.91125 0.90365 0.82238 0.15411 0.11738 0.27011 1.17419 0.81427 0.72239 0.73912 0.92629 0.88177 0.92122 0.25442 0.18182 0.23449 1.17419 0.81427 0.72239 0.73912 0.92629 0.88177 0.92123 0.25440 0.18183 0.23450 0.51491 0.26570 0.51511 0.26899 0.51511 0.26901 0.51490 0.26569 0.51747 0.25917 0.51747 0.25916 0.51676 0.26789 0.51676 0.26789 0.51578 0.27243 0.51578 0.27243 0.51287 0.26096 0.50866 0.25964 0.51031 0.26233 0.51287 0.26096 0.51031 0.26232 0.50866 0.25964 0.49658 0.20271 0.49656 0.20313 0.49658 0.20271 0.49655 0.20313 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 N N 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 -0.705562 -0.705561 -0.590128 -0.590088 0.403367 0.403368 0.345913 0.345906 -0.404931 -0.404973 -0.632588 -0.632574 0.516340 0.516338 -0.454499 -0.454496 -0.849982 -0.849975 0.219392 0.215908 0.215886 0.219402 0.223362 0.223372 0.215354 0.215349 0.211793 0.211793 0.226170 0.231699 0.227361 0.226169 0.227366 0.231704 0.300711 0.300312 0.300711 0.300311 0.00000 -9.51719120e-05 -1.69944703e-04 4.92579990e-04 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0002 -0.0004 0.0013 0.0013 -63.9634 -95.8807 -116.7410 -1.2108 8.2685 1.1708 28.2317 -3.6857 -24.5460 -1.2108 8.2685 1.1708 -0.2789 -0.1639 -0.5241 -0.1171 -0.0588 -0.0140 -0.1070 -0.0615 -0.1406 0.0008 -5281.3898 -1203.1197 -249.2591 -182.4332 405.3701 -60.8548 6.5834 -24.8424 -6.6789 -1323.3903 -1613.6719 -255.3563 22.3166 8.3338 4.3297 0 -730.2320318 5.801E-9 3.165E-5 20.9895482,-2.7402153,-18.2493328,-0.9002245,6.1474034,0.8704397 C01 [X(C16H20N2)] -0.0000952 -0.0001699 0.0004926 @ -0.000051815 0.000006330 -0.000004693 0.000048957 -0.000004420 0.000007256 -0.000153102 -0.000011554 0.000103774 0.000132508 0.000008664 -0.000100867 0.000047299 0.000001214 -0.000009184 -0.000010654 -0.000020368 0.000014509 0.000007040 -0.000012808 -0.000003510 -0.000011024 0.000020125 0.000011208 0.000049489 0.000017866 0.000017312 -0.000076039 -0.000009584 -0.000031356 -0.000015602 -0.000024738 -0.000004119 0.000007038 0.000031013 0.000001273 0.000066376 0.000024940 0.000019309 -0.000062795 -0.000036824 -0.000020765 -0.000060318 -0.000025581 -0.000007409 0.000072834 0.000032918 0.000013402 0.000033426 0.000019731 -0.000003195 -0.000034923 -0.000013651 0.000001264 0.000023975 0.000015245 -0.000018043 0.000015275 -0.000006953 0.000007479 -0.000017987 0.000002813 -0.000002761 -0.000023661 -0.000013273 0.000013762 -0.000013259 -0.000007673 0.000004708 0.000016269 0.000008294 -0.000003690 0.000001623 0.000010047 -0.000001574 0.000000582 -0.000010255 0.000001870 0.000003142 -0.000002932 0.000015127 -0.000004111 0.000002763 -0.000015127 0.000009610 -0.000007747 -0.000010313 -0.000013816 -0.000005061 -0.000009289 -0.000011780 -0.000010611 -0.000007490 -0.000009638 0.000007697 0.000009759 0.000017916 0.000009051 0.000004893 0.000016085 0.000005400 0.000008893 0.000002950 -0.000003247 0.000004027 0.000002443 -0.000003304 0.000001847 -0.000002520 0.000002938 -0.000004824 -0.000001792 0.000003531 -0.000003465 220.18459999999993 AuxInfo=1/0/N:17,18,3,4,9,10,15,16,11,12,7,8,5,6,13,14,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:38NNCCC3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s5;s6;s5;s6;s7;s8;s1s11;s2s12;s9s13;s10s14;s7;s8;s3;s3;s4;s4;s9;s10;s11;s12;s15;s16;s17;s17;s17;s18;s18;s18;s1;s1;s2;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2133 CBGUSER 000089867 EM64L-G09RevD.01 17-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 108 C1[X(C16H20N2)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 220.18459999999993 0 1 AuxInfo=1/0/N:17,18,3,4,9,10,15,16,11,12,7,8,5,6,13,14,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:38NNCCC3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s5;s6;s5;s6;s7;s8;s1s11;s2s12;s9s13;s10s14;s7;s8;s3;s3;s4;s4;s9;s10;s11;s12;s15;s16;s17;s17;s17;s18;s18;s18;s1;s1;s2;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-673.inp" -scrdir="/scratch/" chk=000089867-Freq.chk nprocshared=8 mem=31GB #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 000089867 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 14 14 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 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 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 2 2 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 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000141 0.000032 0.003553 0.000972 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.709394e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1197.6892488761 220 512 220 65 65 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 38 38 38 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 0 220.18459999999993 AuxInfo=1/0/N:17,18,3,4,9,10,15,16,11,12,7,8,5,6,13,14,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:38NNCCC3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s5;s6;s5;s6;s7;s8;s1s11;s2s12;s9s13;s10s14;s7;s8;s3;s3;s4;s4;s9;s10;s11;s12;s15;s16;s17;s17;s17;s18;s18;s18;s1;s1;s2;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 12.251839 0.000000 5.794268 6.535373 0.000000 6.535157 5.794289 1.568163 0.000000 4.274035 8.031289 1.521328 2.574652 0.000000 8.031167 4.274012 2.574785 1.521369 3.927877 0.000000 3.755439 8.840631 2.584138 3.428441 1.429306 4.782745 0.000000 8.840268 3.755434 3.428608 2.584172 4.782660 1.429319 5.865674 0.000000 3.733798 8.833273 2.542758 3.417454 1.417467 4.756027 2.439438 5.307165 0.000000 8.833423 3.733819 3.417611 2.542759 4.756179 1.417440 5.307494 2.439455 5.816456 0.000000 2.454101 10.218831 3.869680 4.652379 2.458630 6.087680 1.413636 7.112965 2.794521 6.670726 0.000000 10.218553 2.454096 4.652578 3.869700 6.087668 2.458614 7.113094 1.413630 6.670442 2.794531 8.413143 0.000000 1.399862 10.864698 4.394463 5.183074 2.874210 6.663301 2.480013 7.483144 2.447403 7.474893 1.423640 8.849235 0.000000 10.864671 1.399860 5.183286 4.394486 6.663406 2.874190 7.483454 2.480026 7.474751 2.447415 8.849456 1.423654 9.481265 0.000000 2.455986 10.214549 3.856538 4.655392 2.477498 6.073880 2.844818 6.665152 1.408492 7.088637 2.443216 8.045819 1.422236 8.845330 0.000000 10.214734 2.455988 4.655591 3.856558 6.074068 2.477476 6.665570 2.844829 7.088626 1.408512 8.046189 2.443215 8.845509 1.422223 8.404403 0.000000 4.983074 8.462385 3.029923 3.664945 2.571193 4.742092 1.521563 6.022674 3.850349 4.845223 2.530639 7.097363 3.857869 7.172977 4.365850 6.135454 0.000000 8.461753 4.983050 3.665172 3.029995 4.741936 2.571239 6.022516 1.521565 4.844778 3.850374 7.097021 2.530623 7.172442 3.857873 6.134841 4.365861 6.539685 0.000000 6.311605 6.321963 1.106424 2.179736 2.182414 2.774510 2.771619 3.777409 3.409747 3.168027 4.156251 4.781705 4.933588 5.035447 4.618655 4.328178 2.691718 4.345840 0.000000 6.250046 6.384880 1.107173 2.186164 2.164454 2.793710 3.440671 3.184454 2.675119 3.812467 4.596760 4.363072 4.874948 5.094902 4.068001 4.852217 4.032134 3.146769 1.770292 0.000000 6.384819 6.250022 2.186098 1.107175 2.793652 2.164469 3.184287 3.440692 3.812472 2.675057 4.362928 4.596750 5.094825 4.874923 4.852203 4.067965 3.146353 4.032191 2.527193 3.090449 0.000000 6.321383 6.311572 2.179759 1.106429 2.774204 2.182429 3.776952 2.771623 3.167679 3.409695 4.781152 4.156231 5.034893 4.933562 4.327709 4.618619 4.345347 2.691763 3.080880 2.527465 1.770304 0.000000 4.615953 8.486182 2.723654 3.475989 2.169849 4.612640 3.433460 4.866607 1.098116 5.829286 3.892617 6.205395 3.436748 7.169747 2.163818 6.993222 4.735963 4.150154 3.701711 2.440026 4.134462 3.051975 0.000000 8.486561 4.615958 3.476130 2.723671 4.612897 2.169846 4.867066 3.433484 5.829443 1.098110 6.205853 3.892621 7.170091 3.436742 6.993434 2.163820 4.150681 4.736003 3.052168 4.134422 2.439969 3.701675 6.045124 0.000000 2.682977 10.910919 4.752051 5.462105 3.449700 6.855824 2.171266 7.979745 3.892859 7.276816 1.098346 9.239756 2.179707 9.559676 3.437673 8.642442 2.712418 8.075413 4.873284 5.557181 5.008043 5.672919 4.990949 6.674876 0.000000 10.910536 2.682940 5.462335 4.752092 6.855798 3.449702 7.979844 2.171273 7.276485 3.892872 9.239701 1.098349 9.559376 2.179705 8.641990 3.437663 8.075749 2.712412 5.673525 5.008261 5.557191 4.873291 6.674374 4.990956 10.118149 0.000000 2.702518 10.889520 4.721880 5.455970 3.465827 6.821717 3.941946 7.245382 2.179345 7.937302 3.443116 8.623590 2.187670 9.539056 1.097190 9.216693 5.462998 6.509211 5.554539 4.754247 5.745280 4.972569 2.492772 7.930598 4.351357 9.115034 0.000000 10.889863 2.702540 5.456157 4.721888 6.821962 3.465800 7.245903 3.941958 7.937366 2.179353 8.624097 3.443121 9.539368 2.187665 9.216800 1.097190 6.509942 5.463008 4.972992 5.745256 4.754189 5.554488 7.930441 2.492756 9.115647 4.351352 10.083179 0.000000 4.923444 9.403972 4.119227 4.677036 3.485223 5.760431 2.178489 7.076208 4.617867 5.762637 2.615744 8.134230 4.038919 8.139624 4.856056 7.025303 1.103652 7.601300 3.780302 5.113403 4.030031 5.297796 5.595492 4.957760 2.326832 9.131913 5.932680 7.297880 0.000000 5.648494 8.172077 3.050677 3.943234 2.912974 4.780887 2.184921 6.004867 4.229693 4.759722 3.253966 6.959416 4.500960 6.951332 4.883321 5.924686 1.106975 6.617185 2.369176 3.904651 3.626891 4.770556 5.004757 4.105277 3.459842 7.927801 5.958618 6.242016 1.784205 0.000000 5.697498 7.734088 2.957289 3.114908 2.889050 4.072777 2.188500 5.443695 4.224340 4.036284 3.291130 6.463774 4.536815 6.448796 4.901653 5.339772 1.106198 6.113866 2.637894 4.046525 2.370503 3.873615 4.991267 3.252687 3.513086 7.487872 5.980664 5.682432 1.784453 1.777072 0.000000 9.403265 4.923394 4.677237 4.119289 5.760256 3.485250 7.076048 2.178481 5.762145 4.617878 8.133869 2.615715 8.139037 4.038904 7.024620 4.856045 7.601333 1.103651 5.298302 4.030386 5.113460 3.780361 4.957164 5.595514 9.131568 2.326812 7.297042 5.932670 8.673445 7.619731 7.186766 0.000000 7.733444 5.697570 3.115110 2.957283 4.072576 2.889071 5.443509 2.188492 4.035775 4.224399 6.463415 3.291176 6.448239 4.536898 5.339115 4.901732 6.113862 1.106187 3.874117 2.370965 4.046512 2.637835 3.252056 4.991337 7.487533 3.513160 5.681658 5.980753 7.186725 6.139228 5.868433 1.784449 0.000000 8.171365 5.648347 3.943541 3.050850 4.780777 2.913053 6.004646 2.184912 4.759360 4.229678 6.958980 3.253858 6.950740 4.500858 5.924096 4.883250 6.617049 1.106976 4.771016 3.627472 3.904800 2.369349 4.104952 5.004776 7.927326 3.459722 6.241333 5.958536 7.619539 6.874284 6.139069 1.784200 1.777081 0.000000 1.015152 12.798239 6.376270 7.095152 4.868609 8.589546 4.078895 9.504364 4.552667 9.271508 2.671078 10.863877 2.108936 11.413612 3.377483 10.662211 5.075805 9.240389 6.774201 6.937222 6.813223 6.972961 5.506522 8.816122 2.465879 11.613555 3.714342 11.261178 4.792506 5.766047 5.824398 10.218119 8.547533 8.952394 0.000000 1.015150 12.796600 6.371907 7.096355 4.876583 8.582725 4.582081 9.270109 4.071507 9.490553 3.376001 10.663977 2.108075 11.411972 2.673809 10.858185 5.899874 8.735015 6.986618 6.699331 7.044568 6.757300 4.781154 9.227504 3.695145 11.280965 2.488869 11.592024 5.909579 6.537439 6.583487 9.613273 7.975089 8.403312 1.743798 0.000000 12.798124 1.015151 7.095391 6.376280 8.589641 4.868576 9.504683 4.078874 9.271302 4.552678 10.864083 2.671061 11.413546 2.108934 10.661936 3.377480 9.240995 5.075756 6.973603 6.813348 6.937183 6.774149 8.815689 5.506520 11.613863 2.465825 11.260726 3.714362 10.218785 8.953133 8.548129 4.792432 5.824471 5.765842 13.399268 13.283722 0.000000 12.796792 1.015151 7.096644 6.371944 8.582969 4.876574 9.270628 4.582090 9.490535 4.071545 10.664433 3.376003 11.412172 2.108075 10.858156 2.673826 8.735814 5.899863 6.757960 7.044690 6.699298 6.986575 9.227241 4.781175 11.281542 3.695111 11.591837 2.488909 9.614167 8.404199 7.975873 5.909538 6.583613 6.537263 13.284044 13.396430 1.743796 0.000000 C16H20N2 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 0 220.18459999999993 AuxInfo=1/0/N:17,18,3,4,9,10,15,16,11,12,7,8,5,6,13,14,1,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:38NNCCC3C3C3C3C3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s3;s4;s5;s6;s5;s6;s7;s8;s1s11;s2s12;s9s13;s10s14;s7;s8;s3;s3;s4;s4;s9;s10;s11;s12;s15;s16;s17;s17;s17;s18;s18;s18;s1;s1;s2;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 1.1895274 0.1571910 0.1417178 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= 11026 NPrTT= 55716 LenC2= 9551 LenP2D= 30699. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 220 RedAO= T EigKep= 4.62D-04 NBF= 220 NBsUse= 220 1.00D-06 EigRej= -1.00D+00 NBFU= 220 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= 214 214 214 214 214 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 0 1 -729.867255540729 -729.993594794228 -0.126339253500 -730.208405215904 -0.214810421676 -730.206156974435 0.002248241470 -730.231441921811 -0.025284947376 -730.231820277930 -0.000378356120 -730.231829716275 -0.000009438344 -730.231834077621 -0.000004361347 -730.232029270509 -0.000195192888 -730.232029400891 -0.000000130382 -730.232029633299 -0.000000232408 -730.232029779470 -0.000000146171 -730.232029792163 -0.000000012693 -730.232029792300 -0.000000000136 -730.232029792337 -0.000000000038 -730.232029792340 -0.000000000003 -730.232029792 16 7.263028615326e+02 -4.092160338263e+03 1.437936198062e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=301064299. IVT= 167274 IEndB= 167274 NGot= 4160749568 MDV= 3865082090 LenX= 3865082090 LenY= 3865033249 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 38. Will process 39 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111 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= 4160748964 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=300908161. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 24310 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 114 vectors produced by pass 0 Test12= 1.01D-14 1.00D-09 XBig12= 5.64D+02 1.55D+01. AX will form 114 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 1.01D-14 1.00D-09 XBig12= 1.31D+02 2.66D+00. 114 vectors produced by pass 2 Test12= 1.01D-14 1.00D-09 XBig12= 4.15D-01 6.47D-02. 114 vectors produced by pass 3 Test12= 1.01D-14 1.00D-09 XBig12= 1.36D-04 1.17D-03. 62 vectors produced by pass 4 Test12= 1.01D-14 1.00D-09 XBig12= 1.33D-08 8.24D-06. 4 vectors produced by pass 5 Test12= 1.01D-14 1.00D-09 XBig12= 8.75D-13 1.27D-07. 2 vectors produced by pass 6 Test12= 1.01D-14 1.00D-09 XBig12= 7.58D-16 2.90D-09. InvSVY: IOpt=1 It= 1 EMax= 5.09D-15 Solved reduced A of dimension 524 with 117 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 195.21 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 295.260 11.902 191.908 20.605 -4.599 98.450 491.238 21.038 386.547 55.033 -15.607 162.379 (Enter /mnt/data/applications/G09/g09/l716.exe) PT1915.300S 2017-06-17T05:37:57.000+02:00 -13.99603 -13.99603 -9.93551 -9.93551 -9.89793 -9.89792 -9.88545 -9.88544 -9.88344 -9.88344 -9.88327 -9.88327 -9.88187 -9.88186 -9.88130 -9.88122 -9.88072 -9.88072 -0.82693 -0.82690 -0.75681 -0.75039 -0.69431 -0.68043 -0.67922 -0.65597 -0.62373 -0.60909 -0.59835 -0.55814 -0.53054 -0.52926 -0.51203 -0.50015 -0.46515 -0.46231 -0.44784 -0.44733 -0.41159 -0.40476 -0.39267 -0.38942 -0.36753 -0.36444 -0.36066 -0.36004 -0.35042 -0.34688 -0.34073 -0.32870 -0.32723 -0.32430 -0.31851 -0.31208 -0.30375 -0.29404 -0.27974 -0.27106 -0.26838 -0.24900 -0.23896 -0.20133 -0.20125 -0.15869 -0.15131 -0.01714 -0.01669 -0.00661 0.00407 0.06453 0.06615 0.08488 0.09172 0.10418 0.11057 0.11146 0.11335 0.11683 0.12068 0.12302 0.14010 0.14317 0.15274 0.15351 0.15717 0.16248 0.16439 0.17274 0.17546 0.19015 0.19097 0.19220 0.19767 0.20393 0.22167 0.22204 0.23212 0.23399 0.25147 0.25929 0.26208 0.26499 0.27872 0.28433 0.28889 0.29333 0.30564 0.31236 0.31495 0.31524 0.32939 0.33927 0.34526 0.34631 0.35483 0.36791 0.36928 0.37182 0.38296 0.38751 0.39202 0.39847 0.40092 0.40368 0.40714 0.40999 0.41956 0.41962 0.43326 0.43346 0.43538 0.44560 0.44765 0.45234 0.45965 0.46659 0.47301 0.47469 0.48782 0.50238 0.50530 0.51130 0.52909 0.54520 0.54825 0.55105 0.57762 0.59251 0.61319 0.61976 0.62927 0.64816 0.65665 0.68323 0.69755 0.70532 0.71782 0.72549 0.75777 0.75965 0.79156 0.79968 0.82046 0.83988 0.84987 0.86411 0.91529 0.91620 0.92216 0.93174 0.94670 0.97727 0.98389 0.98595 0.99121 1.01542 1.03958 1.06599 1.07184 1.09790 1.10778 1.11616 1.12805 1.14036 1.15638 1.15824 1.16625 1.18383 1.20099 1.21858 1.22880 1.25931 1.29444 1.29536 1.33588 1.37162 1.40117 1.42561 1.44692 1.45051 1.48044 1.52616 22.30146 22.37473 22.55678 22.56389 22.60603 22.61232 22.65120 22.65382 22.66845 22.69616 22.70794 22.72415 22.73403 22.73471 22.81618 22.82215 31.50451 31.50508 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 N N 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 -0.705556 -0.705555 -0.590150 -0.590110 0.403359 0.403359 0.345944 0.345936 -0.404933 -0.404975 -0.632588 -0.632574 0.516338 0.516336 -0.454500 -0.454496 -0.849985 -0.849978 0.219399 0.215913 0.215891 0.219410 0.223357 0.223368 0.215355 0.215349 0.211791 0.211790 0.226168 0.231699 0.227360 0.226168 0.227365 0.231703 0.300711 0.300311 0.300711 0.300310 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 N N C C C C C C C C C C C C C C C C -0.104535 -0.104534 -0.154837 -0.154809 0.403359 0.403359 0.345944 0.345936 -0.181576 -0.181608 -0.417233 -0.417225 0.516338 0.516336 -0.242709 -0.242706 -0.164758 -0.164742 0.00000 9.29466831e-05 -1.68800959e-04 -4.92817017e-04 2.95260073e+02 1.19021314e+01 1.91907987e+02 2.06051992e+01 -4.59852478e+00 9.84504273e+01 -5.9598 -0.0006 -0.0004 0.0004 7.9905 12.1692 25.4678 29.2785 44.0388 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 25.4678 29.2785 44.0388 76.6490 86.4017 130.9530 131.7369 149.7111 178.0184 213.9835 214.9259 291.7384 293.2877 294.8739 309.4204 311.5115 329.3125 336.5954 354.9382 355.0066 397.3547 439.5127 440.6999 454.1036 454.8302 476.8797 525.6491 548.7536 549.7323 591.1823 591.7097 717.0567 725.7212 727.0286 736.1087 745.2238 776.0433 799.7482 813.3605 833.9584 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