Gaussian 09 GINC-KIMIK2020 CBGUSER 000036899 EM64L-G09RevD.01 4-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 308.24819999999977 1 1 AuxInfo=1/0/N:24,25,20,22,21,23,19,14,15,17,16,18,13,12,4,7,9,10,11,8,6,5,3,2,1/E:(1,2)(3,4,5,6)(9,10,11,12)(18,19)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.3/rA:46ONNCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s1;s2;s1s4;s3s6;s2s3;s5;s5;s6;s8;s12;s10;s11;s10;s11;s13s14;s15;s16;s17;s18;s20s22;s21s23;s4;s4;s5;s7;s7;s9;s3;s12;s13;s15;s16;s17;s18;s14;s19;s20;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-15731.inp" -scrdir="/scratch/" chk=000036899.chk nprocshared=4 mem=7GB #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 000036899 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 16 14 14 12 12 12 12 12 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 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 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 2 2 0 0 0 0 0 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 (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 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 25 5 7 4 6 9 8 9 32 7 26 27 10 11 28 8 12 29 30 13 31 15 17 16 18 14 33 19 34 19 39 20 35 21 36 22 37 23 38 40 24 41 25 42 24 43 25 44 45 46 1.4212 1.4211 1.4501 1.3798 1.337 1.3797 1.337 1.0163 1.5201 1.0948 1.0969 1.5146 1.5164 1.1004 1.3969 1.3899 1.0914 1.0969 1.3898 1.0778 1.3835 1.3835 1.3826 1.3826 1.4023 1.0824 1.4022 1.0823 1.4111 1.0877 1.3948 1.0857 1.3948 1.0857 1.395 1.0857 1.3948 1.0859 1.0878 1.3947 1.0861 1.3947 1.0861 1.395 1.0861 1.395 1.0861 1.0861 1.0861 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 4 4 6 8 8 9 2 2 2 7 7 26 1 1 1 10 10 11 2 2 8 1 1 1 4 4 29 3 3 6 2 2 3 5 5 15 5 5 16 6 6 14 8 8 19 12 12 19 10 10 20 11 11 21 10 10 22 11 11 23 13 13 14 15 15 24 16 16 25 17 17 24 18 18 25 20 20 22 21 21 23 1 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 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 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 7 6 9 9 9 32 32 7 26 27 26 27 27 10 11 28 11 28 28 8 12 12 4 29 30 29 30 30 6 13 13 3 31 31 15 17 17 16 18 18 14 33 33 19 34 34 19 39 39 20 35 35 21 36 36 22 37 37 23 38 38 14 40 40 24 41 41 25 42 42 24 43 43 25 44 44 22 45 45 23 46 46 111.5461 125.8438 124.3054 109.8508 109.8454 125.1952 124.9594 111.5718 109.9524 107.2413 110.9905 109.7233 107.1944 110.0992 111.7814 106.0082 112.9036 108.7281 106.9917 106.1298 131.3511 122.519 109.4222 114.5438 109.0795 107.6991 108.3372 107.5838 106.142 131.3386 122.5194 108.032 126.4718 125.4961 119.1694 119.1738 121.6568 119.1011 119.108 121.7909 115.6257 122.2689 122.1051 115.6273 121.789 122.5837 121.8521 119.1361 119.0118 119.1729 121.5378 119.2884 119.1056 121.6148 119.2788 119.1648 122.5037 118.2928 119.0984 122.0764 118.8224 121.8564 119.1429 119.0007 120.0053 119.9963 119.9984 120.0009 120.0022 119.9969 119.9999 119.9894 120.0091 120.0007 120.0155 119.9836 120.0003 120.0044 119.9952 120.0035 119.9937 120.0028 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 7 7 7 5 5 5 6 6 6 9 9 9 4 4 9 9 4 4 6 6 9 9 32 32 8 8 32 32 2 2 2 26 26 26 27 27 27 1 1 11 11 28 28 1 1 10 10 28 28 2 2 12 12 2 2 8 8 3 3 6 6 5 5 17 17 5 5 15 15 5 5 18 18 5 5 16 16 6 6 33 33 8 8 34 34 12 12 39 39 10 10 35 35 11 11 36 36 10 10 37 37 11 11 38 38 15 15 41 41 16 16 42 42 17 17 43 43 18 18 44 44 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 8 8 8 8 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 5 5 5 7 7 7 4 4 4 4 4 4 6 6 6 6 9 9 9 9 8 8 8 8 9 9 9 9 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 8 8 8 8 12 12 12 12 13 13 13 13 15 15 15 15 17 17 17 17 16 16 16 16 18 18 18 18 14 14 14 14 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 24 24 24 24 25 25 25 25 10 11 28 4 29 30 7 26 27 7 26 27 8 12 8 12 3 31 3 31 6 13 6 13 2 31 2 31 1 29 30 1 29 30 1 29 30 15 17 15 17 15 17 16 18 16 18 16 18 3 13 3 13 14 33 14 33 19 34 19 34 20 35 20 35 22 37 22 37 21 36 21 36 23 38 23 38 19 39 19 39 14 40 14 40 13 40 13 40 24 41 24 41 25 42 25 42 24 43 24 43 25 44 25 44 22 45 22 45 23 46 23 46 20 45 20 45 21 46 21 46 59.9916 -173.6733 -57.4392 -179.9976 -58.9738 61.6472 90.0122 -33.5827 -149.8112 -90.0041 146.4009 30.1724 -179.9923 -0.0172 0.0221 179.9972 179.9863 0.0718 -0.0278 -179.9423 -0.0086 179.9862 179.9584 -0.0468 0.0225 179.9381 -179.9446 -0.029 58.5882 -66.5014 177.4048 -178.4068 56.5036 -59.5903 -60.1184 174.792 58.6982 -149.9681 30.0081 84.3312 -95.6925 -34.2377 145.7385 150.0206 -30.0103 -85.1898 94.7793 34.3856 -145.6453 -0.008 179.9966 -179.9859 0.0187 -179.9838 -0.1749 -0.0122 179.7968 179.9941 0.0143 -0.0118 -179.9916 179.9958 0.3569 0.0202 -179.6187 -179.9899 2.3113 -0.0143 -177.7131 179.9858 -0.3399 0.0176 179.6919 -179.9828 -0.5955 -0.0146 179.3727 0.0004 179.9321 -179.8089 0.1228 0.0001 -179.9652 179.9797 0.0145 0.0056 179.9709 -179.9262 0.0391 -0.0224 -179.9474 179.6247 -0.3002 -0.0113 179.9238 -179.6933 0.2418 0.0106 -179.5404 177.8067 -1.7443 0.0054 179.8627 -179.4021 0.4552 0.0192 179.9273 179.9442 -0.1477 0.0025 -179.9735 -179.9326 0.0913 -0.0133 -179.9214 179.5376 -0.3705 0.0005 179.9766 -179.8569 0.1192 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 262 276 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 46 46 46 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= 18528 NPrTT= 94983 LenC2= 16188 LenP2D= 50669. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 292 RedAO= T EigKep= 6.21D-04 NBF= 292 NBsUse= 292 1.00D-06 EigRej= -1.00D+00 NBFU= 292 Using GEDIIS/GDIIS optimizer. local minimum Step number 17 out of a maximum of 262 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00105 0.00146 0.00466 0.00556 0.00824 0.01536 0.01623 0.01683 0.01825 0.01987 0.02010 0.02016 0.02063 0.02090 0.02135 0.02144 0.02149 0.02152 0.02156 0.02156 0.02157 0.02158 0.02159 0.02159 0.02163 0.02167 0.02187 0.02196 0.02225 0.02227 0.02238 0.02275 0.02276 0.02283 0.02409 0.02531 0.03127 0.04792 0.05605 0.05657 0.05929 0.06165 0.07394 0.08996 0.09619 0.11302 0.12869 0.13529 0.15316 0.15796 0.15943 0.15989 0.15997 0.15999 0.16000 0.16000 0.16001 0.16001 0.16002 0.16003 0.16009 0.16026 0.16049 0.16104 0.19305 0.21156 0.21929 0.21971 0.21996 0.22005 0.22009 0.22084 0.22524 0.22810 0.23532 0.23631 0.24182 0.24504 0.24908 0.25319 0.26263 0.27203 0.28892 0.31678 0.32561 0.33743 0.34054 0.34081 0.34364 0.34719 0.35073 0.35080 0.35264 0.35265 0.35265 0.35268 0.35271 0.35290 0.35306 0.35318 0.35355 0.35574 0.35720 0.35748 0.36216 0.37844 0.38952 0.39654 0.40864 0.42122 0.42389 0.42415 0.43177 0.43348 0.43518 0.44168 0.44876 0.44993 0.45013 0.46502 0.46506 0.46532 0.46702 0.46764 0.47099 0.47763 0.48153 0.48648 0.48768 0.49890 0.56244 0.56490 RFO step: Lambda=-1.04040699D-07. 1 2 0.00143507 0.00000093 0.00000054 0.00000030 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 2.84418 2.76273 2.80926 2.68484 2.56854 2.67037 2.57380 1.92894 2.90376 2.08197 2.08469 2.89057 2.87699 2.09892 2.69732 2.66428 2.09260 2.09713 2.66186 2.05373 2.67863 2.68143 2.67592 2.68071 2.66305 2.06612 2.66268 2.06665 2.69522 2.06731 2.67135 2.07481 2.66954 2.07270 2.66657 2.06925 2.66914 2.07145 2.06716 2.67012 2.06945 2.67135 2.06923 2.67551 2.07006 2.67227 2.07102 2.06955 2.06933 2.00508 2.21573 2.16789 1.89939 1.91306 2.19957 2.17054 1.96009 1.88504 1.88560 1.92761 1.91320 1.89048 1.94944 1.84823 1.86158 2.00858 1.88526 1.90523 1.86005 2.30463 2.11850 1.85112 1.93630 1.94636 1.95739 1.88117 1.89137 1.84685 2.30598 2.13036 1.90542 2.16654 2.21072 2.07990 2.12605 2.07716 2.08035 2.12560 2.07686 2.03562 2.13886 2.10870 2.03201 2.13383 2.11734 2.12631 2.07921 2.07766 2.10684 2.08925 2.08697 2.10493 2.09124 2.08699 2.10088 2.09329 2.08878 2.10236 2.08529 2.09552 2.12356 2.08122 2.07840 2.09270 2.09438 2.09610 2.09680 2.09133 2.09505 2.09893 2.09251 2.09163 2.09830 2.09470 2.09012 2.08980 2.09666 2.09667 2.08710 2.09724 2.09885 0.90378 3.10277 -1.15238 2.79600 -1.35746 0.75267 1.97514 -0.15463 -2.19596 -1.14364 3.00978 0.96845 -3.12549 0.01974 -0.00383 3.14140 3.12696 0.01753 0.00463 -3.10480 0.00115 3.14005 -3.13685 0.00204 -0.00362 3.10479 3.13446 -0.04032 0.98250 -1.13371 3.06905 3.08788 0.97167 -1.10876 -1.11365 3.05333 0.97290 -1.93007 1.19862 2.24518 -0.90931 0.11184 -3.04266 2.48187 -0.68940 -1.63894 1.47298 0.48363 -2.68764 0.00160 -3.13763 3.14003 0.00080 3.13733 -0.00523 -0.00018 3.14044 -3.13907 0.00132 -0.00054 3.13985 3.12990 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0.00068 0.00061 0.00073 0.00065 0.00040 0.00037 0.00035 0.00032 0.00025 0.00022 -0.00004 -0.00010 0.00013 0.00006 0.00016 0.00012 -0.00005 -0.00009 -0.00011 -0.00006 -0.00003 0.00003 -0.00004 0.00003 0.00003 0.00011 0.00004 -0.00001 -0.00003 -0.00008 -0.00011 -0.00012 -0.00008 -0.00010 0.00009 0.00015 0.00006 0.00012 0.00001 -0.00004 0.00005 0.00000 -0.00001 0.00003 -0.00007 -0.00003 0.00002 -0.00002 0.00007 0.00003 0.00000 0.00002 -0.00007 -0.00006 0.00005 0.00001 0.00006 0.00002 0.00001 0.00003 0.00005 0.00008 0.00000 0.00006 -0.00006 0.00000 -0.00003 -0.00006 -0.00004 -0.00007 0.00001 -0.00002 0.00005 0.00002 0.00002 0.00005 0.00000 0.00003 -0.00004 0.00000 -0.00009 -0.00006 -0.00017 0.00003 0.00008 0.00003 -0.00005 0.00000 -0.00003 0.00000 0.00003 0.00000 -0.00002 0.00009 -0.00014 0.00000 -0.00003 -0.00003 -0.00002 -0.00004 -0.00002 -0.00001 -0.00005 0.00000 0.00003 -0.00004 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00001 -0.00005 0.00000 -0.00004 0.00000 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-0.00013 0.00010 0.00032 0.00011 0.00012 -0.00009 -0.00013 -0.00010 -0.00019 -0.00014 -0.00011 -0.00020 0.00009 0.00012 0.00003 -0.00013 -0.00016 0.00007 0.00004 0.00012 0.00009 0.00193 0.00176 0.00180 0.00163 0.00177 0.00160 0.00023 0.00003 0.00016 -0.00005 -0.00002 0.00006 0.00008 0.00016 -0.00029 -0.00022 -0.00003 0.00004 -0.00014 -0.00026 -0.00011 -0.00022 0.00018 0.00011 0.00015 0.00008 -0.00025 -0.00020 -0.00008 -0.00003 0.00022 0.00012 0.00005 -0.00006 -0.00005 -0.00006 -0.00012 -0.00014 0.00007 0.00012 -0.00001 0.00004 -0.00003 -0.00008 -0.00002 -0.00006 0.00003 0.00001 0.00014 0.00012 0.00003 0.00003 -0.00002 -0.00002 -0.00010 -0.00012 -0.00004 -0.00006 0.00004 0.00005 0.00015 0.00015 0.00002 0.00002 0.00004 0.00004 0.00006 0.00004 0.00006 0.00004 0.00002 0.00002 0.00004 0.00004 -0.00010 -0.00007 -0.00010 -0.00008 -0.00022 0.00002 0.00015 0.00005 -0.00009 0.00002 -0.00002 -0.00001 0.00005 -0.00003 -0.00002 0.00012 -0.00020 0.00000 -0.00003 -0.00003 0.00001 -0.00005 -0.00001 0.00001 -0.00006 0.00003 0.00004 -0.00002 -0.00001 -0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00006 0.00001 -0.00008 0.00000 -0.00007 0.00002 0.00000 -0.00004 0.00000 0.00001 0.00000 0.00003 -0.00001 -0.00002 -0.00001 0.00000 -0.00001 -0.00005 0.00000 -0.00001 0.00000 -0.00004 0.00003 0.00001 -0.00004 -0.00012 -0.00011 0.00007 0.00003 0.00017 -0.00004 0.00017 0.00016 -0.00039 0.00005 0.00010 -0.00003 -0.00002 0.00005 0.00009 -0.00009 -0.00006 0.00004 0.00006 -0.00003 0.00003 0.00001 -0.00004 0.00004 -0.00011 0.00005 0.00019 -0.00026 0.00007 -0.00017 0.00014 0.00003 -0.00001 -0.00001 0.00002 0.00001 0.00002 -0.00003 -0.00003 0.00005 -0.00002 -0.00006 0.00000 0.00006 -0.00004 -0.00001 0.00005 -0.00002 -0.00022 0.00025 0.00000 -0.00015 0.00014 0.00002 -0.00002 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00002 0.00002 -0.00003 0.00006 -0.00002 -0.00001 0.00003 -0.00001 0.00004 -0.00001 -0.00003 0.00002 0.00001 -0.00003 0.00006 -0.00034 -0.00007 -0.00139 -0.00133 -0.00148 -0.00003 -0.00001 -0.00009 0.00010 0.00012 0.00003 0.00034 0.00024 0.00023 0.00013 -0.00070 -0.00014 -0.00059 -0.00004 -0.00056 -0.00025 -0.00025 0.00006 0.00072 0.00015 0.00042 -0.00016 0.00021 0.00023 0.00021 0.00008 0.00010 0.00008 0.00035 0.00038 0.00036 0.00065 0.00055 0.00075 0.00064 0.00084 0.00074 0.00233 0.00213 0.00215 0.00194 0.00202 0.00181 0.00020 -0.00007 0.00028 0.00001 0.00015 0.00018 0.00004 0.00007 -0.00041 -0.00028 -0.00006 0.00007 -0.00019 -0.00022 -0.00008 -0.00012 0.00022 0.00010 0.00011 0.00000 -0.00036 -0.00032 -0.00017 -0.00013 0.00031 0.00027 0.00010 0.00006 -0.00004 -0.00010 -0.00007 -0.00014 0.00006 0.00014 -0.00007 0.00001 -0.00001 -0.00009 0.00005 -0.00003 0.00003 0.00003 0.00007 0.00006 0.00008 0.00004 0.00004 0.00000 -0.00009 -0.00009 0.00001 0.00001 0.00005 0.00011 0.00009 0.00015 -0.00001 -0.00004 -0.00001 -0.00004 0.00008 0.00002 0.00011 0.00006 0.00004 0.00007 0.00004 0.00007 -0.00014 -0.00008 -0.00020 -0.00014 2.84396 2.76275 2.80941 2.68489 2.56845 2.67040 2.57378 1.92893 2.90381 2.08194 2.08467 2.89069 2.87679 2.09892 2.69728 2.66425 2.09261 2.09708 2.66185 2.05374 2.67857 2.68146 2.67596 2.68069 2.66304 2.06611 2.66266 2.06665 2.69522 2.06730 2.67135 2.07482 2.66948 2.07270 2.66649 2.06925 2.66906 2.07147 2.06716 2.67008 2.06945 2.67136 2.06923 2.67554 2.07006 2.67225 2.07101 2.06955 2.06932 2.00503 2.21573 2.16788 1.89939 1.91302 2.19960 2.17055 1.96005 1.88492 1.88549 1.92769 1.91323 1.89065 1.94940 1.84840 1.86174 2.00819 1.88531 1.90533 1.86001 2.30461 2.11855 1.85121 1.93621 1.94629 1.95743 1.88122 1.89134 1.84687 2.30599 2.13032 1.90546 2.16643 2.21077 2.08009 2.12580 2.07723 2.08018 2.12574 2.07689 2.03561 2.13885 2.10873 2.03202 2.13385 2.11731 2.12628 2.07926 2.07764 2.10678 2.08925 2.08703 2.10489 2.09124 2.08704 2.10086 2.09306 2.08903 2.10236 2.08515 2.09567 2.12358 2.08120 2.07840 2.09270 2.09439 2.09608 2.09680 2.09131 2.09507 2.09890 2.09256 2.09160 2.09829 2.09473 2.09010 2.08984 2.09665 2.09664 2.08712 2.09725 2.09882 0.90384 3.10243 -1.15245 2.79461 -1.35879 0.75120 1.97511 -0.15464 -2.19605 -1.14354 3.00989 0.96848 -3.12515 0.01998 -0.00360 3.14153 3.12627 0.01739 0.00404 -3.10484 0.00059 3.13980 -3.13710 0.00210 -0.00290 3.10494 3.13488 -0.04047 0.98271 -1.13348 3.06926 3.08795 0.97177 -1.10868 -1.11329 3.05371 0.97325 -1.92942 1.19917 2.24593 -0.90867 0.11268 -3.04192 2.48420 -0.68727 -1.63679 1.47493 0.48564 -2.68582 0.00180 -3.13770 3.14032 0.00081 3.13748 -0.00504 -0.00014 3.14052 -3.13948 0.00105 -0.00060 3.13993 3.12971 -0.02866 0.00076 3.12557 -3.12073 0.04416 0.00788 -3.11041 3.10675 -0.02781 -0.00581 -3.14037 -3.11192 0.02399 -0.00015 3.13576 -0.00069 3.14120 -3.14137 0.00052 -0.00024 3.14084 -3.14078 0.00031 0.00091 -3.14017 -3.14098 0.00112 -0.00825 3.12840 -3.13309 0.00356 0.00685 -3.13859 3.14143 -0.00402 -0.00903 -3.13379 3.10931 -0.01545 0.00508 3.13378 -3.13079 -0.00210 0.00712 3.13732 -3.12953 0.00067 -0.00187 3.14112 -3.13960 0.00339 0.00147 -3.12873 3.12624 -0.00396 -0.00406 3.13614 -3.13279 0.00741 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000078 0.000014 0.007473 0.001435 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.268297e-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 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 20 20 21 21 22 22 23 23 24 25 5 7 4 6 9 8 9 32 7 26 27 10 11 28 8 12 29 30 13 31 15 17 16 18 14 33 19 34 19 39 20 35 21 36 22 37 23 38 40 24 41 25 42 24 43 25 44 45 46 1.5051 1.462 1.4866 1.4208 1.3592 1.4131 1.362 1.0208 1.5366 1.1017 1.1032 1.5296 1.5224 1.1107 1.4274 1.4099 1.1074 1.1098 1.4086 1.0868 1.4175 1.419 1.416 1.4186 1.4092 1.0933 1.409 1.0936 1.4262 1.094 1.4136 1.0979 1.4127 1.0968 1.4111 1.095 1.4124 1.0962 1.0939 1.413 1.0951 1.4136 1.095 1.4158 1.0954 1.4141 1.0959 1.0952 1.095 -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 = -0.0001|-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 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 5 4 4 6 8 8 9 2 2 2 7 7 26 1 1 1 10 10 11 2 2 8 1 1 1 4 4 29 3 3 6 2 2 3 5 5 15 5 5 16 6 6 14 8 8 19 12 12 19 10 10 20 11 11 21 10 10 22 11 11 23 13 13 14 15 15 24 16 16 25 17 17 24 18 18 25 20 20 22 21 21 23 1 2 2 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 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 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 7 6 9 9 9 32 32 7 26 27 26 27 27 10 11 28 11 28 28 8 12 12 4 29 30 29 30 30 6 13 13 3 31 31 15 17 17 16 18 18 14 33 33 19 34 34 19 39 39 20 35 35 21 36 36 22 37 37 23 38 38 14 40 40 24 41 41 25 42 42 24 43 43 25 44 44 22 45 45 23 46 46 114.8824 126.9518 124.2107 108.827 109.6105 126.0263 124.3628 112.3048 108.0051 108.0369 110.4441 109.6183 108.3164 111.6947 105.8958 106.6608 115.0831 108.0173 109.1618 106.5727 132.0456 121.3814 106.0614 110.9415 111.518 112.1504 107.7828 108.3676 105.8164 132.1227 122.0607 109.1726 124.1338 126.6647 119.1695 121.814 119.0125 119.1953 121.7878 118.9955 116.6324 122.5478 120.8197 116.4257 122.2596 121.3147 121.8285 119.1301 119.0413 120.713 119.7053 119.5748 120.6036 119.8193 119.5758 120.3716 119.9365 119.6783 120.4561 119.4785 120.0646 121.6713 119.245 119.0837 119.9028 119.9991 120.0975 120.1377 119.8242 120.0377 120.2599 119.8918 119.8413 120.2236 120.0174 119.7548 119.7369 120.1296 120.1303 119.582 120.163 120.255 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 7 7 7 5 5 5 6 6 6 9 9 9 4 4 9 9 4 4 6 6 9 9 32 32 8 8 32 32 2 2 2 26 26 26 27 27 27 1 1 11 11 28 28 1 1 10 10 28 28 2 2 12 12 2 2 8 8 3 3 6 6 5 5 17 17 5 5 15 15 5 5 18 18 5 5 16 16 6 6 33 33 8 8 34 34 12 12 39 39 10 10 35 35 11 11 36 36 10 10 37 37 11 11 38 38 15 15 41 41 16 16 42 42 17 17 43 43 18 18 44 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 8 8 8 8 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 5 5 5 7 7 7 4 4 4 4 4 4 6 6 6 6 9 9 9 9 8 8 8 8 9 9 9 9 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 8 8 8 8 12 12 12 12 13 13 13 13 15 15 15 15 17 17 17 17 16 16 16 16 18 18 18 18 14 14 14 14 19 19 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 24 24 24 24 25 25 25 10 11 28 4 29 30 7 26 27 7 26 27 8 12 8 12 3 31 3 31 6 13 6 13 2 31 2 31 1 29 30 1 29 30 1 29 30 15 17 15 17 15 17 16 18 16 18 16 18 3 13 3 13 14 33 14 33 19 34 19 34 20 35 20 35 22 37 22 37 21 36 21 36 23 38 23 38 19 39 19 39 14 40 14 40 13 40 13 40 24 41 24 41 25 42 25 42 24 43 24 43 25 44 25 44 22 45 22 45 23 46 23 46 20 45 20 45 21 46 21 51.7828 177.7757 -66.0267 160.1989 -77.7765 43.125 113.1671 -8.8595 -125.8191 -65.5259 172.4475 55.488 -179.0775 1.1308 -0.2194 179.9889 179.1618 1.0044 0.2654 -177.8921 0.0661 179.9116 -179.7285 0.1169 -0.2074 177.8913 179.5914 -2.3099 56.2932 -64.9567 175.8434 176.9223 55.6724 -63.5275 -63.8074 174.9428 55.7428 -110.5847 68.6761 128.6395 -52.0997 6.4077 -174.3315 142.2006 -39.4996 -93.9041 84.3957 27.7098 -153.9903 0.0918 -179.7729 179.9107 0.0459 179.7559 -0.2996 -0.0103 179.9342 -179.8555 0.0758 -0.031 179.9003 179.3299 -1.6294 0.0481 179.0889 -178.8172 2.5243 0.4447 -178.2138 178.0244 -1.5748 -0.3234 -179.9226 -178.3174 1.3593 -0.0143 179.6624 -0.0375 179.9833 -179.983 0.0378 -0.017 179.949 -179.949 0.017 0.0529 -179.9132 -179.968 0.066 -0.4748 179.2424 -179.5168 0.2004 0.3883 -179.8302 179.9884 -0.2301 -0.5122 -179.5479 178.1498 -0.8859 0.2884 179.546 -179.3864 -0.1288 0.4083 179.7574 -179.3086 0.0404 -0.1112 179.9718 -179.8922 0.1908 0.0818 -179.2672 179.118 -0.231 -0.2249 179.692 -179.4844 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 308.24819999999977 AuxInfo=1/0/N:24,25,20,22,21,23,19,14,15,17,16,18,13,12,4,7,9,10,11,8,6,5,3,2,1/E:(1,2)(3,4,5,6)(9,10,11,12)(18,19)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.3/rA:46ONNCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s1;s2;s1s4;s3s6;s2s3;s5;s5;s6;s8;s12;s10;s11;s10;s11;s13s14;s15;s16;s17;s18;s20s22;s21s23;s4;s4;s5;s7;s7;s9;s3;s12;s13;s15;s16;s17;s18;s14;s19;s20;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.847883 0.000000 4.167495 2.163792 0.000000 2.401399 1.450130 3.562683 0.000000 1.421216 4.167942 5.346610 3.686155 0.000000 3.879587 1.379752 2.219597 2.519894 5.021562 0.000000 1.421093 2.456494 4.347455 1.520064 2.350067 3.344416 0.000000 4.585470 2.219437 1.379730 3.631242 5.696877 1.396885 4.414775 0.000000 3.111685 1.337048 1.337004 2.464977 4.426433 2.223576 3.293953 2.223449 0.000000 2.406913 4.493184 5.603812 4.205366 1.514579 4.956191 2.821161 5.639310 4.946389 0.000000 2.432876 5.100591 5.814406 4.829690 1.516441 6.011827 3.702586 6.416396 4.981427 2.526116 0.000000 4.655419 2.523810 3.553283 3.149972 5.626150 1.389925 3.796470 2.443495 3.587248 5.285192 6.805514 0.000000 5.834511 3.553088 2.523597 4.906215 6.829147 2.443434 5.621700 1.389850 3.587010 6.551109 7.531559 2.891243 0.000000 5.866160 3.707637 4.098752 4.526052 6.749936 2.363075 5.118953 2.748688 4.529355 6.222817 7.851574 1.402265 2.458920 0.000000 3.633263 5.763139 6.958663 5.326894 2.500160 6.147499 3.858398 6.899908 6.307898 1.383545 3.286438 6.271711 7.723785 7.144009 0.000000 3.652584 6.425342 7.194128 6.013244 2.500142 7.342046 4.780267 7.788644 6.342457 3.292787 1.382631 8.058470 8.884151 9.110554 3.526649 0.000000 2.759825 3.942313 4.770938 4.063484 2.500184 4.077329 3.011524 4.613503 4.399381 1.383507 3.386594 4.368957 5.360516 5.117553 2.416089 4.382846 0.000000 2.796212 4.927358 5.133625 4.999552 2.500239 5.825196 4.206258 5.938934 4.460781 3.377371 1.382642 6.823344 7.023495 7.773103 4.365777 2.416111 3.770612 0.000000 6.359908 4.098668 3.707482 5.233583 7.271501 2.748637 5.881636 2.362997 4.529220 6.785041 8.168700 2.458905 1.402223 1.411145 7.807434 9.477865 5.558610 7.859621 0.000000 4.755547 6.461253 7.546991 6.171600 3.781916 6.567412 4.803135 7.276532 7.086449 2.396063 4.527623 6.468990 7.884865 7.118927 1.394833 4.754532 2.789847 5.454163 7.784526 0.000000 4.781723 7.427900 7.905414 7.145212 3.781857 8.360173 6.026431 8.638108 7.139141 4.531845 2.394408 9.184835 9.702734 10.184984 4.749448 1.394784 5.472151 2.789825 10.416722 5.851435 0.000000 4.126974 4.906807 5.594429 5.121063 3.781983 4.686632 4.153597 5.159928 5.457494 2.396042 4.600931 4.647738 5.590228 5.082500 2.789723 5.420180 1.394961 4.990674 5.526454 2.415955 6.451944 0.000000 4.164423 6.178051 6.090591 6.315937 3.781885 7.065451 5.582086 7.016117 5.535348 4.593620 2.394344 8.122870 8.034024 9.008533 5.401775 2.789687 4.995233 1.394803 8.969552 6.432776 2.415986 6.095543 0.000000 4.952894 6.097548 6.956759 6.083865 4.281265 5.934500 4.924674 6.515966 6.724327 2.766686 5.067926 5.742989 6.926055 6.170700 2.415851 5.574617 2.416196 5.715998 6.737466 1.394677 6.616279 1.395023 6.735773 0.000000 4.986534 7.322304 7.427434 7.274649 4.281141 8.240200 6.361786 8.300579 6.795220 5.066232 2.764700 9.213198 9.324869 10.139557 5.561246 2.415786 5.728514 2.416030 10.189253 6.604993 1.394713 6.746558 1.394978 7.135945 0.000000 3.356659 2.094056 4.212890 1.094832 4.506640 2.705174 2.168304 3.993090 3.288589 4.846911 5.774111 2.887314 5.117746 4.269185 5.821792 6.893931 4.668382 6.047948 5.190380 6.539390 8.090090 5.537540 7.382519 6.414731 8.302871 0.000000 2.658256 2.061326 3.852507 1.096924 3.985570 3.323708 2.153893 4.229063 2.590693 4.827392 4.925700 4.107821 5.570115 5.452533 5.952041 6.054285 4.863745 5.016786 6.052838 6.942523 7.092156 6.035615 6.230020 6.978509 7.167888 1.764068 0.000000 2.023200 4.735509 6.174589 3.931826 1.100410 5.658342 2.531431 6.492394 5.130789 2.138949 2.117970 6.143921 7.663254 7.351624 2.631880 2.602114 3.330099 3.311953 8.017789 3.995531 3.964840 4.486327 4.462913 4.750144 4.721523 4.609285 4.119944 0.000000 2.121113 2.733106 4.544636 2.123776 2.668863 3.172083 1.091383 4.309577 3.740953 2.504775 4.114766 3.296644 5.336986 4.518537 3.428788 5.156300 2.429886 4.673112 5.386541 4.112675 6.445600 3.325924 6.065999 4.070181 6.830096 2.447153 3.036949 2.939921 0.000000 2.059578 3.385293 5.358652 2.136120 2.611108 4.299360 1.096929 5.442698 4.221481 3.229561 3.974115 4.600677 6.649875 5.953385 3.970870 4.813452 3.765305 4.716350 6.833369 5.003349 6.112484 4.841814 6.036318 5.373112 6.632964 2.479347 2.455606 2.300659 1.765701 0.000000 3.022741 2.159311 2.150055 2.814578 4.312901 3.266371 3.506616 3.262330 1.077814 5.127799 4.632302 4.597103 4.591085 5.597658 6.484071 5.936137 4.823633 4.009826 5.595204 7.420795 6.618470 6.024467 4.964480 7.224626 6.205587 3.760503 2.546435 4.957555 4.191402 4.288907 0.000000 4.850626 3.141976 1.016307 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0.51039 0.92577 0.85853 0.84014 -0.04294 0.19413 0.19774 1.17438 0.81413 0.75640 0.53131 0.86635 0.93538 0.82381 0.07064 0.10954 0.16314 1.17438 0.81412 0.75686 0.52564 0.93444 0.85261 0.83755 0.05352 0.13507 0.15453 0.51171 0.22994 0.51240 0.22828 0.52107 0.26222 0.51715 0.23988 0.51636 0.24736 0.50237 0.16876 0.48060 0.14570 0.51448 0.21688 0.51367 0.21374 0.51984 0.23613 0.52036 0.24399 0.52231 0.23627 0.52188 0.25651 0.51326 0.22161 0.51320 0.21934 0.51859 0.23415 0.51885 0.23599 0.52073 0.24411 0.52053 0.24700 0.51848 0.23300 0.51856 0.23430 -9.5038 -4.0235 -1.0260 10.3713 -83.3910 -109.8142 -122.9016 9.7809 -9.6844 -9.5198 21.9779 -4.4452 -17.5327 9.7809 -9.6844 -9.5198 -73.6354 -21.1934 -15.1976 -34.1195 6.5183 51.3696 -49.8988 -24.4231 40.0155 -7.6049 -6601.7727 -2484.9303 -1080.3921 -221.3828 -257.8118 202.1549 -11.1846 -34.4757 -15.7899 -1602.4612 -1359.8045 -611.9364 -177.0767 -9.3234 26.1868 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 0 308.24819999999977 AuxInfo=1/0/N:24,25,20,22,21,23,19,14,15,17,16,18,13,12,4,7,9,10,11,8,6,5,3,2,1/E:(1,2)(3,4,5,6)(9,10,11,12)(18,19)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.3/rA:46ONNCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s1;s2;s1s4;s3s6;s2s3;s5;s5;s6;s8;s12;s10;s11;s10;s11;s13s14;s15;s16;s17;s18;s20s22;s21s23;s4;s4;s5;s7;s7;s9;s3;s12;s13;s15;s16;s17;s18;s14;s19;s20;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.827952 0.000000 4.016652 2.217756 0.000000 2.396156 1.486597 3.648423 0.000000 1.505075 4.325416 5.342946 3.767061 0.000000 4.109754 1.420758 2.265767 2.601512 5.564148 0.000000 1.461974 2.510988 4.344532 1.536602 2.500853 3.623418 0.000000 4.706697 2.283149 1.413101 3.733611 6.108797 1.427359 4.609574 0.000000 2.793027 1.359213 1.361996 2.515860 4.194251 2.261061 3.161008 2.267995 0.000000 2.511388 4.995706 6.063337 4.437391 1.529625 6.010971 2.942695 6.615290 5.064081 0.000000 2.416245 5.000220 5.435774 4.778365 1.522438 6.233435 3.771102 6.465651 4.444333 2.575275 0.000000 5.105378 2.586372 3.613273 3.261762 6.501671 1.409874 4.276525 2.474053 3.647656 6.747540 7.361626 0.000000 6.061161 3.631608 2.578976 5.023506 7.426670 2.481126 5.899437 1.408595 3.652763 7.811517 7.753128 2.909249 0.000000 6.348567 3.783753 4.167381 4.645929 7.730820 2.398941 5.611876 2.785157 4.600109 7.901785 8.494788 1.409226 2.475850 0.000000 3.523594 5.885751 7.245341 5.044513 2.542146 6.871940 3.517899 7.664578 6.178404 1.417470 3.711858 7.408701 8.849314 8.608198 0.000000 3.652915 6.280047 6.707355 5.932426 2.534985 7.568335 4.923914 7.802002 5.699757 3.445198 1.416037 8.697724 9.102204 9.863793 4.248812 0.000000 3.196070 5.229897 5.925477 5.022299 2.577123 6.010084 3.652468 6.414873 5.193835 1.418954 3.139550 6.737191 7.456076 7.712487 2.444104 4.137532 0.000000 2.836967 4.805302 4.660230 5.013777 2.570116 5.877842 4.252488 5.804314 3.955364 3.400381 1.418570 7.119259 6.989253 8.093624 4.737337 2.442323 3.426603 0.000000 6.749217 4.184800 3.773160 5.362000 8.130201 2.793818 6.293067 2.395011 4.603286 8.369665 8.665021 2.477916 1.409029 1.426248 9.252185 10.042252 8.031400 8.039081 0.000000 4.728238 6.828474 8.152934 6.052894 3.851030 7.631610 4.551883 8.429051 7.205185 2.460555 4.905715 8.004812 9.493683 9.099526 1.413618 5.419700 2.827768 5.781459 9.777207 0.000000 4.795072 7.203247 7.254317 7.052002 3.841443 8.444044 6.163697 8.473168 6.411702 4.682028 2.457140 9.666245 9.710938 10.752415 5.550741 1.412660 5.115304 2.822973 10.773277 6.618955 0.000000 4.481685 6.261491 6.996439 6.024544 3.869402 6.854318 4.647139 7.300220 6.371686 2.455467 4.485833 7.375645 8.199310 8.245085 2.819987 5.333327 1.411087 4.763473 8.619153 2.446547 6.259838 0.000000 4.204183 5.957358 5.413102 6.295247 3.863925 6.965593 5.639656 6.675261 4.921225 4.650590 2.457348 8.271468 7.761702 9.152632 5.934820 2.820997 4.562057 1.412446 8.932235 6.921126 2.443706 5.785608 0.000000 5.118981 6.993005 8.043103 6.485220 4.371231 7.622196 5.032956 8.264443 7.288960 2.842005 5.222254 7.987256 9.195382 8.927072 2.446695 5.883674 2.451373 5.794703 9.481001 1.412967 6.932313 1.415819 6.860554 0.000000 5.020488 7.068445 6.694247 7.211716 4.365131 8.183910 6.467824 7.980018 6.083760 5.182265 2.843322 9.480893 9.112713 10.436489 6.281936 2.449324 5.297667 2.450619 10.275592 7.290481 1.413617 6.462304 1.414106 7.372586 0.000000 3.368357 2.106252 4.308118 1.101732 4.631755 2.687939 2.181195 4.042805 3.378078 5.083892 5.774347 2.835684 5.159759 4.238600 5.480964 6.913369 5.642914 6.053853 5.204255 6.336340 8.085202 6.466536 7.360551 6.784088 8.284460 0.000000 2.666028 2.107728 4.010053 1.103168 3.937819 3.313284 2.171730 4.300134 2.783540 4.894261 4.815011 4.040944 5.621939 5.394173 5.464892 5.801073 5.664133 5.147629 6.049580 6.614327 6.879524 6.771293 6.333861 7.193628 7.114494 1.787374 0.000000 2.111273 4.815592 6.071476 3.967852 1.110702 6.128379 2.773347 6.810301 4.813700 2.150443 2.159064 6.989237 8.169895 8.298939 2.573627 2.641433 3.460475 3.430451 8.812806 3.985686 4.038900 4.604948 4.592735 4.817191 4.839452 4.751629 3.916701 0.000000 2.126233 2.844523 4.535208 2.206921 2.922515 3.612808 1.107357 4.595194 3.576944 2.803427 4.205549 4.076074 5.747241 5.308050 3.335863 5.433367 3.178125 4.562750 6.019672 4.079502 6.657422 3.940103 5.967049 4.339549 6.886930 2.528665 3.107778 3.396056 0.000000 2.135208 3.443808 5.382553 2.152743 2.670938 4.544440 1.109754 5.629645 4.142156 3.054340 4.094160 5.031309 6.912005 6.406653 3.198879 5.016698 4.069275 4.874551 7.216018 4.278231 6.355794 4.954748 6.242368 5.046440 6.882128 2.513771 2.450388 2.505794 1.797853 0.000000 2.343395 2.164794 2.191776 2.824245 3.573571 3.305784 3.152878 3.320768 1.086787 4.674954 3.596553 4.658412 4.674941 5.673471 5.835408 4.756226 4.949493 3.152567 5.681276 6.982144 5.416072 6.252728 4.074816 7.161413 5.133801 3.858452 2.819174 4.148667 3.762641 4.019461 0.000000 4.603554 3.194936 1.020751 4.572159 5.792941 3.256824 5.157100 2.176127 2.113380 6.558239 5.621887 4.558983 2.966351 4.950605 7.828001 6.818570 6.328510 4.643349 4.317754 8.744656 7.170406 7.423560 5.140892 8.566387 6.434568 5.297232 4.838443 6.569517 5.360573 6.193389 2.587488 0.000000 5.158410 2.952631 4.464625 3.105560 6.482717 2.200406 4.074172 3.477861 4.217977 6.654502 7.523291 1.093344 4.002478 2.181768 7.117976 8.810604 6.790109 7.482306 3.468794 7.671064 9.890693 7.355915 8.725443 7.780086 9.856794 2.348950 3.886602 6.836610 3.864615 4.626593 5.116936 5.456313 0.000000 6.723400 4.477470 2.942706 5.928446 8.029454 3.481157 6.741634 2.196506 4.217171 8.444643 8.174548 4.002856 1.093626 3.470899 9.570085 9.490284 7.993176 7.255394 2.187045 10.217203 9.957433 8.746943 7.852764 9.839671 9.218647 6.165955 6.463825 8.829233 6.605463 7.788690 5.133935 2.952143 5.096048 0.000000 3.713802 6.107089 7.636242 5.063735 2.734080 7.195553 3.628798 8.082730 6.453493 2.181081 3.951979 7.717407 9.333343 8.999305 1.097942 4.276576 3.440475 5.164156 9.721878 2.176206 5.640685 3.917879 6.341175 3.438961 6.545792 5.467269 5.297105 2.295092 3.714521 3.005358 6.040371 8.253005 7.334958 10.096835 0.000000 4.001499 6.734978 7.447265 6.152584 2.730465 8.067741 5.067361 8.462192 6.330149 3.523692 2.180100 9.104193 9.800392 10.343555 3.965149 1.096824 4.474993 3.438624 10.651991 5.149773 2.174434 5.553112 3.917801 5.842045 3.439851 7.050853 5.959672 2.413086 5.615657 4.916749 5.414300 7.658845 9.090492 10.271802 3.756405 0.000000 3.151827 4.945953 5.245318 5.037122 2.794319 5.673439 3.869286 5.846914 4.673585 2.182483 2.937903 6.546111 6.846752 7.429412 3.438919 4.072736 1.095002 2.761465 7.562307 3.922453 4.846446 2.172623 3.813708 3.440586 4.744430 5.766207 5.668919 3.847587 3.471651 4.513311 4.424744 5.519398 6.773932 7.269948 4.348968 4.660466 0.000000 2.560014 4.029999 3.748403 4.462998 2.780939 4.960712 3.829084 4.819402 3.176502 3.436562 2.178147 6.197742 5.960953 7.097808 4.843022 3.435286 3.224274 1.096164 6.998908 5.799398 3.919114 4.529865 2.178961 5.673003 3.443608 5.461435 4.770131 3.782006 3.998244 4.648752 2.596375 3.782065 6.638195 6.238187 5.379769 4.344380 2.393186 0.000000 7.206170 4.719830 5.259926 5.391102 8.551802 3.396239 6.327249 3.878804 5.639179 8.621567 9.412738 2.164172 3.452694 1.093974 9.206944 10.778284 8.436282 9.079111 2.178487 9.594871 11.720299 8.845727 10.176807 9.420259 11.451683 4.805201 6.145583 9.073106 5.953346 7.021728 6.699490 6.041205 2.501985 4.357398 9.582655 11.203787 8.238708 8.088665 0.000000 7.815702 5.277422 4.711813 6.447272 9.175377 3.887344 7.361083 3.393623 5.643397 9.360572 9.679673 3.454412 2.165175 2.178883 10.239332 11.062019 8.940837 8.994090 1.093893 10.695470 11.753541 9.447995 9.829026 10.322090 11.194749 6.245045 7.131041 9.882538 7.036459 8.279175 6.710696 5.124146 4.353294 2.511926 10.744133 11.697140 8.447373 7.936838 2.489033 0.000000 5.600444 7.645936 9.109049 6.739181 4.720013 8.438472 5.283387 9.328600 8.118909 3.450467 5.815336 8.703229 10.388822 9.812830 2.178437 6.191426 3.922820 6.788197 10.587207 1.095105 7.404892 3.440562 7.913514 2.178907 8.189180 6.910055 7.253450 4.654947 4.850394 4.827923 7.903138 9.742747 8.259248 11.157726 2.503067 5.765765 5.017407 6.849482 10.229224 11.498398 0.000000 5.749283 8.205132 8.300876 7.970216 4.709720 9.477737 7.068633 9.532013 7.434262 5.495197 3.446151 10.690151 10.780671 11.803222 6.188750 2.175600 6.002314 3.917954 11.844635 7.216475 1.094990 7.060079 3.437604 7.610525 2.178756 8.986486 7.724098 4.725514 7.595349 7.147814 6.414004 8.203421 10.876759 11.022357 6.168611 2.498615 5.823911 5.014092 12.764495 12.831101 7.902878 0.000000 5.232622 6.734277 7.206502 6.698992 4.750220 7.161316 5.433267 7.454190 6.774261 3.446523 5.181597 7.657341 8.205744 8.369547 3.915375 6.059309 2.175275 5.201139 8.621675 3.438659 6.829992 1.095430 6.085609 2.178990 6.845988 7.125964 7.511423 5.581615 4.645536 5.869507 6.736772 7.553933 7.738063 8.663552 5.013234 6.398412 2.499222 4.864709 8.954374 9.363095 4.345439 7.649697 0.000000 4.864359 6.187122 5.247204 6.758519 4.745993 7.031324 6.248804 6.522737 5.033087 5.448707 3.449287 8.362344 7.468944 9.101524 6.793771 3.916916 5.148069 2.178269 8.713448 7.703470 3.436484 6.297834 1.095939 7.492218 2.176936 7.809119 6.853253 5.556546 6.500757 6.973818 4.311936 4.791734 8.937237 7.413294 7.280123 5.013716 4.243904 2.509856 10.148424 9.535405 8.734904 4.343104 6.433032 0.000000 6.180774 7.905429 8.933369 7.419325 5.466366 8.422814 6.008901 9.062500 8.250384 3.937142 6.286270 8.673934 9.899828 9.526476 3.440260 6.903511 3.443223 6.808183 10.096366 2.179295 7.898339 2.181873 7.819197 1.095159 8.318932 7.627905 8.174720 5.888972 5.235841 6.003275 8.183019 9.456631 8.438002 10.536760 4.344038 6.839103 4.343530 6.658495 9.935901 10.874270 2.511854 8.534965 2.510645 8.401871 0.000000 6.081397 7.994192 7.417965 8.220331 5.460074 9.063100 7.535695 8.743058 6.927561 6.240957 3.938359 10.390757 9.808698 11.287760 7.324993 3.442053 6.275338 3.443603 11.030617 8.285325 2.180141 7.374974 2.181566 8.311238 1.095040 9.303361 8.094001 5.912517 7.949892 7.966666 5.987880 7.036492 10.821653 9.814111 7.591914 4.343693 5.670935 4.349141 12.323219 11.909778 9.173712 2.511955 7.672695 2.509761 9.215422 0.000000 0.3070913 0.1310925 0.1062368 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= 287 287 287 287 287 MxSgAt= 46 MxSgA2= 46. 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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 46 46 46 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= 18528 NPrTT= 94983 LenC2= 15747 LenP2D= 48782. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 292 RedAO= T EigKep= 6.65D-04 NBF= 292 NBsUse= 292 1.00D-06 EigRej= -1.00D+00 NBFU= 292 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= 279 279 280 280 280 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -1033.70939104577 -1033.47323210401 0.236158941765 -1033.88718226178 -0.413950157773 -1034.03356664908 -0.146384387294 -1034.03759983895 -0.004033189874 -1034.04735676830 -0.009756929349 -1034.04781590284 -0.000459134537 -1034.04798965119 -0.000173748349 -1034.04800763685 -0.000017985665 -1034.04801029545 -0.000002658598 -1034.04794117705 0.000069118395 -1034.04794144892 -0.000000271868 -1034.04794151018 -0.000000061260 -1034.04794177622 -0.000000266041 -1034.04794178386 -0.000000007635 -1034.04794178445 -0.000000000593 -1034.04794178447 -0.000000000019 -1034.04794178446 0.000000000008 -1034.04794178 18 1.030557390629e+03 -6.570850705890e+03 2.412620463530e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=927854701. IVT= 277938 IEndB= 277938 NGot= 939524096 MDV= 24246128 LenX= 24246128 LenY= 24160423 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= 42778 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -3.73907874e+00 -1.58295467e+00 -4.03648875e-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 8 7 7 6 6 6 6 6 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 -0.020410582 -0.030282227 0.011534158 0.009045991 -0.003182565 -0.021222482 0.000590204 -0.021635451 0.023148958 0.010746816 -0.008823485 -0.012577336 0.023673530 0.014034008 -0.004814480 -0.003579481 0.011519152 -0.004689338 -0.012090407 0.002025636 -0.019002399 -0.011872502 0.001592535 0.015381326 0.013233242 -0.011370550 -0.003630042 0.010752298 -0.022417006 -0.010738828 -0.031380887 0.010625350 -0.016219415 -0.006293017 0.007492841 0.000364544 -0.006130164 0.004595779 0.003671166 -0.000272960 0.007103517 -0.007393170 0.007539382 0.013245424 -0.003338605 0.015880185 0.004050433 -0.003858123 -0.012931165 0.004246411 0.017467585 -0.005246209 -0.013473728 0.014107765 -0.004967593 -0.002257319 0.009281494 0.007880594 0.010831277 -0.001687596 0.012250657 0.003879514 -0.001402297 -0.008989163 0.000414981 0.007238107 -0.002879786 -0.008580228 0.007951887 -0.004102824 0.012209261 0.006187345 0.009180669 -0.007436612 0.007291268 -0.003022818 0.003302818 -0.001606308 0.001691682 -0.003397185 -0.003195686 0.006669736 0.005662186 -0.006612777 0.002427948 0.010031526 0.007046393 0.001443845 0.003125845 -0.010167920 0.004669208 -0.002205434 -0.002878500 0.000632935 -0.003175023 0.002372391 0.000547849 0.004893361 -0.005593104 -0.003280792 -0.002403880 0.006989851 0.004947531 -0.001979798 -0.004607131 0.000442928 0.004768621 -0.005193888 -0.000950939 -0.007986411 -0.001885057 -0.006448889 0.001212171 -0.002308473 -0.002215044 0.003594195 -0.000830873 -0.003089633 0.001563123 0.002469023 0.003286514 0.005244116 -0.000685376 0.005991152 0.001154523 -0.000812106 -0.005206826 0.000749600 0.004329781 -0.001131764 -0.004881890 0.004435285 -0.001473627 0.005523346 0.002678027 0.004442173 -0.003202756 0.003004957 0.031380887 0.009154822 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -1034.07597044911 -1034.07612619040 -0.000155741287 -1034.07612554728 0.000000643121 -1034.07616333973 -0.000037792455 -1034.07616300852 0.000000331209 -1034.07616391570 -0.000000907173 -1034.07616410275 -0.000000187053 -1034.07616411735 -0.000000014606 -1034.07616411813 -0.000000000774 -1034.07616411821 -0.000000000079 -1034.07616411821 -0.000000000001 -1034.07616412 11 1.028799247562e+03 -6.416693697761e+03 2.336933891993e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=927854701. IVT= 277938 IEndB= 277938 NGot= 939524096 MDV= 24246128 LenX= 24246128 LenY= 24160423 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= 42778 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 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 -18.883106 -14.233870 -14.230708 -10.149320 -10.107007 -10.104471 -10.090756 -10.073162 -10.061992 -10.057208 -10.056837 -10.046473 -10.046129 -10.006486 -10.006122 -9.995842 -9.995689 -9.994033 -9.992990 -9.992311 -9.992039 -9.991622 -9.991489 -9.989274 -9.988819 -1.129831 -1.050135 -1.013793 -0.926807 -0.875162 -0.860941 -0.853382 -0.835655 -0.827399 -0.802827 -0.764645 -0.761555 -0.760112 -0.751886 -0.731611 -0.719873 -0.704250 -0.678007 -0.654020 -0.639841 -0.630772 -0.627120 -0.620253 -0.609041 -0.600214 -0.593243 -0.578191 -0.565380 -0.554120 -0.547386 -0.543120 -0.539474 -0.533036 -0.524027 -0.511627 -0.510917 -0.492668 -0.482932 -0.481297 -0.474809 -0.465425 -0.462728 -0.460806 -0.458925 -0.456642 -0.455737 -0.450818 -0.436860 -0.414336 -0.410588 -0.403379 -0.395330 -0.389048 -0.385436 -0.376655 -0.366058 -0.360004 -0.330986 -0.316473 -0.314749 -0.311905 -0.302763 -0.218408 -0.167352 -0.165946 -0.142689 -0.128139 -0.123533 -0.117166 -0.099778 -0.065199 -0.051044 -0.041978 -0.038452 -0.036858 -0.026784 -0.015872 -0.014479 -0.009183 -0.002137 0.002214 0.011026 0.014985 0.017606 0.020764 0.025324 0.031810 0.042492 0.046881 0.049786 0.052900 0.054865 0.059626 0.062190 0.063078 0.069082 0.075718 0.080875 0.084097 0.088618 0.101845 0.103809 0.110207 0.113751 0.123556 0.126760 0.132423 0.135428 0.143940 0.146383 0.152298 0.157982 0.161134 0.163831 0.171558 0.176899 0.182208 0.191281 0.192953 0.194737 0.196190 0.200551 0.209694 0.212735 0.215831 0.218977 0.225283 0.231506 0.233537 0.241399 0.247725 0.249140 0.252178 0.255437 0.258560 0.266267 0.270938 0.274377 0.275924 0.281410 0.283506 0.289741 0.291014 0.293609 0.295953 0.300735 0.307912 0.312650 0.314245 0.319945 0.323782 0.333167 0.334844 0.343806 0.346862 0.350018 0.352858 0.360840 0.364984 0.376770 0.387870 0.392463 0.399378 0.410157 0.418173 0.424674 0.431772 0.440452 0.448675 0.468707 0.471106 0.477420 0.485362 0.492915 0.506875 0.525671 0.536469 0.540264 0.541411 0.549952 0.555282 0.564863 0.567314 0.573960 0.595548 0.603511 0.612976 0.639085 0.644389 0.660068 0.667224 0.673382 0.712573 0.720334 0.733963 0.761597 0.770979 0.791393 0.795518 0.803258 0.808147 0.823415 0.825076 0.832234 0.841954 0.851451 0.860388 0.888396 0.900355 0.908389 0.927981 0.932755 0.947151 0.954439 0.971969 0.979229 0.983186 1.000531 1.009426 1.022608 1.024217 1.034699 1.036759 1.055016 1.084891 1.098641 1.113525 1.117744 1.138563 1.152360 1.179203 1.186362 1.225358 1.254589 1.282887 1.300861 1.318201 1.326134 1.362700 1.425951 1.436816 1.705106 22.144099 22.205199 22.294526 22.300290 22.367380 22.400214 22.431055 22.446130 22.468059 22.474245 22.479133 22.481859 22.498159 22.523767 22.548233 22.573824 22.579088 22.597941 22.602927 22.623769 22.685917 22.704279 31.300748 31.349602 41.441584 29.117585 22.044842 22.044172 15.955038 15.954009 15.953513 15.956894 15.958478 15.958125 15.954854 15.955234 15.956134 15.956080 15.954467 15.954607 15.954707 15.954407 15.954363 15.955651 15.955638 15.955648 15.954647 15.956174 15.955662 15.956142 1.827793 2.409271 2.121172 1.578966 1.500468 1.495823 1.593182 1.718463 1.672824 1.604595 1.598517 1.617543 1.627466 1.688795 1.536391 1.664539 1.646332 1.604417 1.374045 1.404812 1.492814 1.499914 1.602191 1.465757 1.342403 1.294026 1.345791 1.299269 1.050012 1.238902 1.351000 1.253120 1.375409 1.311929 1.317562 1.395232 1.403839 1.382322 1.263471 1.379383 1.411468 1.195771 1.388961 1.160765 1.237161 1.355668 1.331230 1.524345 1.102426 1.389535 1.220279 1.487327 1.402804 1.407212 1.642006 1.307745 1.358105 1.948256 1.402510 1.161971 1.158161 1.229086 1.739694 1.619227 1.644334 1.527814 1.360912 1.386231 1.466959 1.412162 1.903596 1.517510 1.558954 1.532672 1.764532 1.614988 1.265519 1.507184 1.413218 1.588929 1.383731 1.482320 1.360733 1.305815 1.503704 1.414143 1.465718 1.560782 1.433156 1.335821 1.337526 1.221468 1.175242 1.265088 1.308610 1.283938 1.433670 1.403807 1.374516 1.646551 1.359122 1.675763 1.363159 1.464637 1.602594 1.271956 1.096775 1.136728 1.343297 1.445518 1.277671 1.462040 1.419229 1.308057 1.466369 1.493533 1.382226 1.722873 1.411938 1.462088 1.667689 1.384494 1.602936 1.783232 1.431764 1.696655 1.613790 1.677193 1.797991 1.992152 1.676073 1.587358 1.838276 1.577104 1.890156 1.693324 2.054124 1.741260 1.898667 1.573961 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6PX 6PY 6PZ 8 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 9 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 10 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 11 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 12 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 13 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 14 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 15 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 20 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 21 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 22 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 23 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 24 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 25 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 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1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|25 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S 1.13238 0.85938 0.93800 0.93336 0.98142 1.15593 1.27263 0.22830 0.39490 0.43545 1.15922 0.83098 0.83368 0.71124 0.99612 1.04205 1.04198 0.10925 0.22686 0.19660 1.15913 0.83111 0.83206 0.73853 0.99737 1.07320 1.05514 0.13549 0.30970 0.26153 1.17430 0.81413 0.73498 0.68138 0.91995 0.90973 0.81683 0.11523 0.15766 0.10355 1.17445 0.81381 0.73713 0.71875 0.70738 0.89204 0.94912 0.05488 0.08111 0.21130 1.17431 0.81398 0.76309 0.32752 0.82811 0.90577 0.87173 -0.05895 0.06393 0.02573 1.17438 0.81420 0.74538 0.61067 0.81447 0.86767 0.91517 0.02556 0.08332 0.15750 1.17431 0.81401 0.76253 0.31996 0.85331 0.84481 0.90570 -0.06041 0.08275 0.03983 1.17440 0.81418 0.78761 0.41570 0.96242 0.80602 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AuxInfo=1/0/N:24,25,20,22,21,23,19,14,15,17,16,18,13,12,4,7,9,10,11,8,6,5,3,2,1/E:(1,2)(3,4,5,6)(9,10,11,12)(18,19)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.3/rA:46ONNCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s1;s2;s1s4;s3s6;s2s3;s5;s5;s6;s8;s12;s10;s11;s10;s11;s13s14;s15;s16;s17;s18;s20s22;s21s23;s4;s4;s5;s7;s7;s9;s3;s12;s13;s15;s16;s17;s18;s14;s19;s20;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2020 CBGUSER 000036899 EM64L-G09RevD.01 4-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 132 C1[X(C22H21N2O)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 308.24819999999977 1 1 AuxInfo=1/0/N:24,25,20,22,21,23,19,14,15,17,16,18,13,12,4,7,9,10,11,8,6,5,3,2,1/E:(1,2)(3,4,5,6)(9,10,11,12)(18,19)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.3/rA:46ONNCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s1;s2;s1s4;s3s6;s2s3;s5;s5;s6;s8;s12;s10;s11;s10;s11;s13s14;s15;s16;s17;s18;s20s22;s21s23;s4;s4;s5;s7;s7;s9;s3;s12;s13;s15;s16;s17;s18;s14;s19;s20;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-16748.inp" -scrdir="/scratch/" chk=000036899-Freq.chk nprocshared=4 mem=7GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000036899 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 16 14 14 12 12 12 12 12 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 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 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 2 2 0 0 0 0 0 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 (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| 0.000251 0.000058 0.072179 0.025529 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.773430e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2016.8843995969 292 684 292 87 87 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 46 46 46 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 0 308.24819999999977 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5.013234 6.398411 2.499221 4.864708 8.954374 9.363095 4.345438 7.649696 0.000000 4.864359 6.187122 5.247204 6.758519 4.745994 7.031324 6.248805 6.522737 5.033087 5.448707 3.449287 8.362345 7.468945 9.101525 6.793771 3.916916 5.148069 2.178269 8.713448 7.703470 3.436484 6.297834 1.095939 7.492218 2.176936 7.809119 6.853254 5.556546 6.500757 6.973819 4.311937 4.791735 8.937237 7.413295 7.280123 5.013716 4.243905 2.509856 10.148425 9.535405 8.734904 4.343104 6.433031 0.000000 6.180774 7.905429 8.933369 7.419324 5.466366 8.422814 6.008900 9.062499 8.250383 3.937142 6.286269 8.673934 9.899828 9.526475 3.440260 6.903510 3.443223 6.808182 10.096365 2.179295 7.898339 2.181873 7.819196 1.095158 8.318932 7.627904 8.174720 5.888971 5.235841 6.003274 8.183019 9.456631 8.438002 10.536760 4.344038 6.839103 4.343529 6.658495 9.935900 10.874270 2.511854 8.534965 2.510645 8.401871 0.000000 6.081397 7.994192 7.417965 8.220330 5.460074 9.063100 7.535694 8.743058 6.927561 6.240956 3.938360 10.390757 9.808698 11.287760 7.324993 3.442053 6.275338 3.443603 11.030616 8.285325 2.180141 7.374974 2.181567 8.311238 1.095040 9.303361 8.094001 5.912516 7.949891 7.966665 5.987879 7.036493 10.821653 9.814111 7.591913 4.343692 5.670935 4.349141 12.323219 11.909778 9.173711 2.511954 7.672694 2.509761 9.215422 0.000000 C22H21N2O(1+) 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 0 308.24819999999977 AuxInfo=1/0/N:24,25,20,22,21,23,19,14,15,17,16,18,13,12,4,7,9,10,11,8,6,5,3,2,1/E:(1,2)(3,4,5,6)(9,10,11,12)(18,19)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.3/rA:46ONNCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s1;s2;s1s4;s3s6;s2s3;s5;s5;s6;s8;s12;s10;s11;s10;s11;s13s14;s15;s16;s17;s18;s20s22;s21s23;s4;s4;s5;s7;s7;s9;s3;s12;s13;s15;s16;s17;s18;s14;s19;s20;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3070913 0.1310925 0.1062368 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= 18528 NPrTT= 94983 LenC2= 15747 LenP2D= 48782. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 292 RedAO= T EigKep= 6.65D-04 NBF= 292 NBsUse= 292 1.00D-06 EigRej= -1.00D+00 NBFU= 292 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= 279 280 280 280 280 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -1033.76595543983 -1033.49516647206 0.270788967764 -1033.93008703981 -0.434920567749 -1034.06462134966 -0.134534309852 -1034.06630919570 -0.001687846036 -1034.07545153466 -0.009142338961 -1034.07588656823 -0.000435033568 -1034.07607262640 -0.000186058167 -1034.07609245840 -0.000019832004 -1034.07609505722 -0.000002598824 -1034.07617628058 -0.000081223362 -1034.07617718163 -0.000000901050 -1034.07617678432 0.000000397319 -1034.07617745310 -0.000000668780 -1034.07617746137 -0.000000008279 -1034.07617746200 -0.000000000626 -1034.07617746207 -0.000000000072 -1034.07617746206 0.000000000008 -1034.07617746 18 1.028799275385e+03 -6.416693900611e+03 2.336934048167e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=927855185. IVT= 278422 IEndB= 278422 NGot= 939524096 MDV= 24245644 LenX= 24245644 LenY= 24159939 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= 42778 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= 46. Will process 47 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 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= 939523340 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=927590392. 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= 42778 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. CalDSu: requested number of processors reduced to: 2 ShMem 1 Linda. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 1.78D-14 1.00D-09 XBig12= 4.93D+02 1.12D+01. AX will form 138 AO Fock derivatives at one time. CalDSu: requested number of processors reduced to: 2 ShMem 1 Linda. 138 vectors produced by pass 1 Test12= 1.78D-14 1.00D-09 XBig12= 1.07D+02 1.47D+00. CalDSu: requested number of processors reduced to: 2 ShMem 1 Linda. 138 vectors produced by pass 2 Test12= 1.78D-14 1.00D-09 XBig12= 5.08D-01 7.63D-02. CalDSu: requested number of processors reduced to: 2 ShMem 1 Linda. 138 vectors produced by pass 3 Test12= 1.78D-14 1.00D-09 XBig12= 1.09D-04 7.91D-04. CalDSu: requested number of processors reduced to: 2 ShMem 1 Linda. 95 vectors produced by pass 4 Test12= 1.78D-14 1.00D-09 XBig12= 2.62D-08 1.91D-05. CalDSu: requested number of processors reduced to: 3 ShMem 1 Linda. 5 vectors produced by pass 5 Test12= 1.78D-14 1.00D-09 XBig12= 2.67D-12 1.28D-07. 3 vectors produced by pass 6 Test12= 1.78D-14 1.00D-09 XBig12= 1.27D-15 2.35D-09. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 655 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 242.28 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 269.456 -20.182 262.091 -39.016 -23.787 195.287 446.082 -43.691 499.304 -111.115 -79.931 403.287 (Enter /mnt/data/applications/G09/g09/l716.exe) PT5858.400S Thu May 4 20:37:36 2017 -18.88313 -14.23387 -14.23071 -10.14932 -10.10701 -10.10447 -10.09076 -10.07317 -10.06199 -10.05721 -10.05684 -10.04648 -10.04613 -10.00646 -10.00612 -9.99584 -9.99567 -9.99403 -9.99299 -9.99231 -9.99203 -9.99161 -9.99148 -9.98927 -9.98881 -1.12983 -1.05015 -1.01379 -0.92682 -0.87516 -0.86094 -0.85338 -0.83565 -0.82740 -0.80283 -0.76464 -0.76155 -0.76011 -0.75189 -0.73161 -0.71987 -0.70425 -0.67801 -0.65402 -0.63984 -0.63077 -0.62712 -0.62025 -0.60904 -0.60021 -0.59325 -0.57819 -0.56539 -0.55412 -0.54739 -0.54312 -0.53948 -0.53303 -0.52403 -0.51163 -0.51092 -0.49267 -0.48293 -0.48130 -0.47481 -0.46542 -0.46272 -0.46080 -0.45892 -0.45664 -0.45574 -0.45082 -0.43686 -0.41433 -0.41059 -0.40338 -0.39533 -0.38905 -0.38543 -0.37666 -0.36606 -0.36000 -0.33100 -0.31647 -0.31474 -0.31190 -0.30276 -0.21840 -0.16735 -0.16595 -0.14268 -0.12813 -0.12353 -0.11716 -0.09978 -0.06521 -0.05104 -0.04199 -0.03846 -0.03687 -0.02680 -0.01589 -0.01449 -0.00918 -0.00214 0.00221 0.01102 0.01498 0.01761 0.02077 0.02533 0.03181 0.04250 0.04687 0.04980 0.05290 0.05488 0.05963 0.06219 0.06310 0.06909 0.07572 0.08087 0.08410 0.08861 0.10184 0.10381 0.11022 0.11374 0.12355 0.12675 0.13245 0.13545 0.14393 0.14639 0.15230 0.15799 0.16114 0.16383 0.17155 0.17691 0.18224 0.19129 0.19297 0.19475 0.19620 0.20056 0.20972 0.21273 0.21586 0.21896 0.22530 0.23151 0.23353 0.24137 0.24772 0.24913 0.25219 0.25546 0.25855 0.26627 0.27093 0.27438 0.27591 0.28143 0.28348 0.28973 0.29101 0.29361 0.29594 0.30075 0.30794 0.31264 0.31424 0.31993 0.32376 0.33328 0.33485 0.34383 0.34686 0.35002 0.35290 0.36083 0.36500 0.37678 0.38788 0.39248 0.39941 0.41016 0.41820 0.42467 0.43177 0.44044 0.44867 0.46873 0.47112 0.47743 0.48541 0.49297 0.50688 0.52568 0.53646 0.54024 0.54140 0.54997 0.55523 0.56487 0.56731 0.57396 0.59557 0.60352 0.61301 0.63909 0.64440 0.66006 0.66725 0.67339 0.71256 0.72033 0.73391 0.76160 0.77098 0.79137 0.79553 0.80326 0.80814 0.82341 0.82507 0.83224 0.84196 0.85147 0.86038 0.88840 0.90032 0.90839 0.92801 0.93282 0.94714 0.95446 0.97199 0.97924 0.98319 1.00055 1.00944 1.02262 1.02424 1.03472 1.03679 1.05502 1.08491 1.09865 1.11355 1.11776 1.13856 1.15237 1.17921 1.18636 1.22538 1.25459 1.28292 1.30088 1.31822 1.32613 1.36274 1.42594 1.43681 1.70508 22.14410 22.20521 22.29453 22.30029 22.36738 22.40021 22.43106 22.44614 22.46806 22.47425 22.47913 22.48186 22.49816 22.52377 22.54824 22.57383 22.57910 22.59795 22.60294 22.62377 22.68592 22.70429 31.30075 31.34960 41.44156 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 O N N C C C C C 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 -0.331644 -0.148041 -0.393250 -0.428014 -0.340215 0.284942 -0.208188 0.263269 -0.018663 0.497591 0.465759 -0.314494 -0.311329 -0.199238 -0.437865 -0.430054 -0.354224 -0.389696 -0.186982 -0.220752 -0.217386 -0.229311 -0.239205 -0.231126 -0.233197 0.242254 0.271098 0.221527 0.237142 0.227933 0.351071 0.370267 0.257720 0.266993 0.235885 0.237125 0.240667 0.223825 0.260494 0.262724 0.242948 0.242770 0.238262 0.229943 0.245801 0.244863 1.00000 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 O N N C C C C C C C C C C C C C C C C C C C C C C -0.331644 -0.148041 -0.022983 0.085338 -0.118688 0.284942 0.256886 0.263269 0.332408 0.497591 0.465759 -0.056773 -0.044336 0.061256 -0.201980 -0.192929 -0.113557 -0.165871 0.075742 0.022196 0.025384 0.008951 -0.009262 0.014675 0.011666 1.00000 -3.64854104e+00 -5.35380509e-01 -4.34855086e-01 2.69455609e+02 -2.01816759e+01 2.62091432e+02 -3.90162833e+01 -2.37866223e+01 1.95286775e+02 -5.0093 -3.8521 -0.0009 -0.0005 -0.0002 9.6322 11.6456 18.9322 30.4938 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 11.5587 18.6526 30.4904 38.4363 49.1178 53.0746 69.7221 101.9301 129.7595 146.8061 179.6287 216.3813 223.1826 244.3415 256.1551 268.3119 311.5456 326.0421 387.0727 401.7884 405.6607 417.4317 455.5522 474.7507 487.1154 540.2843 557.4189 568.0128 576.4845 606.0783 614.8241 618.7856 629.1740 646.9331 688.0323 694.9935 703.5674 709.8382 752.1885 755.2350 760.3976 764.6047 770.5736 814.4138 830.7107 838.3135 851.6951 858.6701 862.8285 865.4451 876.6495 925.3715 929.5453 943.6661 956.3222 976.0472 978.8616 979.7424 990.3418 991.0094 1002.3573 1003.1780 1005.1643 1013.3401 1025.7445 1027.3895 1030.8541 1066.2106 1077.9936 1086.7122 1091.3038 1114.9890 1155.3507 1176.2355 1176.9843 1179.0785 1182.9282 1185.9950 1192.3312 1202.1075 1215.1363 1224.7435 1240.4763 1271.6581 1275.8441 1294.7495 1303.2534 1329.8820 1342.8608 1351.7243 1356.2933 1371.7287 1385.2837 1389.1517 1410.3714 1426.5699 1440.7678 1444.4227 1458.7856 1462.4983 1473.0571 1481.0470 1483.2367 1492.2172 1531.7340 1593.2844 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