Gaussian 09 GINC-KIMIK2032 CBGUSER 000051247 EM64L-G09RevD.01 16-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 330.3017999999998 0 1 AuxInfo=1/0/N:11,25,9,10,8,23,24,21,22,17,16,18,20,15,19,14,12,13,7,4,5,6,3,2,1/E:(3,4)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.2,22.2,23.2/rA:48SNN2NN2N2CCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s7;s7;s7;s8;s2s3s4;s1s2s5;s3;s14;s1;s5s16;s14;s6s15;s6s18;s15;s19;s21;s22s23;s20;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s4;s4;s18;s16;s17;s21;s22;s23;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-18212.inp" -scrdir="/scratch/" chk=000051247.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 000051247 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 32 14 14 14 14 14 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 1 1 31.9720718 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 2 2 2 2 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 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 2 2 2 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 14 14 15 15 16 16 17 18 18 19 20 21 21 22 22 23 23 24 25 25 25 13 16 7 12 13 12 14 12 37 38 13 17 19 20 8 9 10 11 26 27 28 29 30 31 32 33 34 35 36 15 18 19 21 17 40 41 20 39 22 25 23 42 24 43 24 44 45 46 47 48 1.7 1.715 1.4535 1.4295 1.3932 1.3179 1.4038 1.3855 1.0142 1.0132 1.2959 1.3812 1.3465 1.3527 1.545 1.5352 1.533 1.5251 1.0993 1.0921 1.0928 1.0964 1.0969 1.0947 1.0945 1.0992 1.0934 1.0938 1.0953 1.4008 1.3869 1.4107 1.4052 1.3791 1.0806 1.0817 1.3802 1.0853 1.3922 1.4924 1.3919 1.0868 1.3971 1.0884 1.3894 1.0857 1.0861 1.0947 1.095 1.0945 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A83 A84 A85 13 7 7 12 12 12 12 37 13 19 2 2 2 8 8 9 7 7 7 11 11 26 7 7 7 28 28 29 7 7 7 31 31 32 8 8 8 34 34 35 2 2 3 1 1 2 3 3 15 14 14 19 1 1 17 5 5 16 14 14 20 6 6 15 6 6 18 15 15 23 19 19 24 21 21 24 22 22 23 20 20 20 46 46 47 1 2 2 2 3 4 4 4 5 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 16 12 13 13 14 37 38 38 17 20 8 9 10 9 10 10 11 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 3 4 4 2 5 5 15 18 18 19 21 21 17 40 40 16 41 41 20 39 39 15 22 22 18 25 25 23 42 42 24 43 43 24 44 44 23 45 45 46 47 48 47 48 48 88.1941 122.1709 116.3602 121.465 119.7431 121.6442 122.8053 115.5482 107.6354 118.2159 109.4872 107.7358 108.7775 109.2498 112.0883 109.4026 115.0894 107.9004 113.4744 106.9336 108.3961 104.2943 114.1137 111.5951 110.2215 107.5299 105.8265 107.1657 113.6318 115.1176 108.588 109.5717 104.287 104.6794 111.9073 111.607 109.6756 108.7533 107.2537 107.4511 121.427 114.5923 123.9705 118.2879 118.6564 123.0557 121.711 118.013 120.276 118.0465 121.6231 120.3304 109.6019 121.7759 128.6221 115.9121 119.1619 124.926 117.4946 121.2157 121.2897 121.8473 120.0923 118.0604 124.1198 116.4863 119.3939 120.4011 121.6775 117.9213 121.6174 119.7984 118.5841 119.5778 120.1988 120.2234 120.0129 119.9122 120.0749 110.3531 111.0626 110.3557 107.9444 109.1031 107.943 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 16 16 13 13 12 12 12 13 13 13 7 7 13 13 7 7 12 12 14 14 12 12 37 37 38 38 17 17 13 13 20 20 19 19 2 2 2 9 9 9 10 10 10 2 2 2 8 8 8 10 10 10 2 2 2 8 8 8 9 9 9 7 7 7 26 26 26 27 27 27 3 3 18 18 3 3 15 15 14 14 21 21 14 14 19 19 1 1 40 40 14 14 39 39 6 6 15 15 6 6 6 18 18 18 15 15 42 42 19 19 43 43 21 21 44 44 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 13 13 16 16 7 7 7 7 7 7 12 12 12 12 13 13 13 13 12 12 14 14 12 12 12 12 13 13 17 17 19 19 20 20 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 15 15 15 15 18 18 18 18 19 19 19 19 21 21 21 21 17 17 17 17 20 20 20 20 22 22 22 22 25 25 25 25 25 25 23 23 23 23 24 24 24 24 24 24 24 24 2 5 17 40 8 9 10 8 9 10 3 4 3 4 1 5 1 5 2 4 15 18 2 3 2 3 1 2 16 41 15 22 18 25 11 26 27 11 26 27 11 26 27 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 19 21 19 21 20 39 20 39 6 22 6 22 23 42 23 42 5 41 5 41 6 25 6 25 24 43 24 43 46 47 48 46 47 48 24 44 24 44 23 45 23 45 22 45 22 45 179.9071 -0.0534 0.0613 -179.9953 -58.0012 60.707 179.2049 121.2933 -119.9985 -1.5006 -0.7415 -179.6212 179.9996 1.1199 90.7473 -89.2941 -89.9529 90.0058 -179.5567 -0.7851 -90.0052 89.9971 179.5885 0.7412 -0.9859 -179.8331 0.0262 -179.9323 0.026 -179.9856 -0.007 179.9997 0.0071 -179.9628 -62.2333 178.4788 63.4454 -179.9985 60.7135 -54.3199 58.5709 -60.7171 -175.7505 -72.4109 49.7358 168.6875 46.4491 168.5959 -72.4524 169.493 -68.3603 50.5914 -69.0941 58.4205 175.3531 169.6922 -62.7933 54.1394 48.3494 175.864 -67.2034 -60.4061 61.7335 -179.3077 59.4167 -178.4437 -59.4849 171.333 -66.5274 52.4313 -179.9989 0.0145 -0.0012 -179.9878 179.9989 0.0345 0.0012 -179.9632 0.0042 179.9977 179.991 -0.0155 -179.9982 -0.1379 0.0155 179.8758 -0.0638 179.9485 179.9978 0.0102 -0.0042 179.9648 179.9602 -0.0708 -179.9954 -0.0007 0.0109 -179.9943 -119.7159 -0.046 119.6239 60.3127 179.9826 -60.3475 -0.0103 179.9656 -179.8758 0.1001 -0.0061 -179.992 179.9991 0.0132 0.0055 179.9914 -179.9703 0.0155 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 261 288 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 20100 NPrTT= 101169 LenC2= 17428 LenP2D= 53868. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 304 RedAO= T EigKep= 5.87D-04 NBF= 304 NBsUse= 304 1.00D-06 EigRej= -1.00D+00 NBFU= 304 Using GEDIIS/GDIIS optimizer. local minimum Step number 35 out of a maximum of 261 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00230 0.00271 0.00362 0.00435 0.00485 0.00718 0.00826 0.01367 0.01450 0.01694 0.01723 0.01935 0.02039 0.02050 0.02072 0.02099 0.02133 0.02141 0.02153 0.02162 0.02182 0.02191 0.02209 0.02253 0.02289 0.02318 0.02341 0.02557 0.02731 0.03517 0.03945 0.04274 0.04706 0.05027 0.05147 0.05345 0.05479 0.05558 0.05589 0.05739 0.05778 0.06704 0.06927 0.07304 0.07427 0.07760 0.08782 0.11437 0.12646 0.13521 0.15309 0.15818 0.15887 0.15911 0.15956 0.15989 0.15999 0.16000 0.16001 0.16006 0.16009 0.16013 0.16033 0.16038 0.16045 0.16094 0.16107 0.16165 0.16222 0.16253 0.16692 0.18424 0.21896 0.22124 0.22469 0.22681 0.23433 0.23885 0.24396 0.24725 0.24888 0.25060 0.25199 0.25678 0.26627 0.27952 0.29001 0.29304 0.29627 0.30488 0.31172 0.33280 0.33387 0.33784 0.33936 0.34044 0.34086 0.34168 0.34233 0.34253 0.34299 0.34336 0.34400 0.34465 0.34514 0.34705 0.34910 0.35029 0.35278 0.35352 0.35388 0.35574 0.35787 0.35931 0.36357 0.38091 0.38569 0.42035 0.43182 0.44603 0.45282 0.45290 0.45641 0.45948 0.46413 0.46602 0.46985 0.47562 0.47740 0.48442 0.51511 0.52359 0.53840 0.54444 0.57075 0.63090 0.67756 0.72024 RFO step: Lambda=-1.26487867D-07. 1 2 0.00096605 0.00000055 0.00000051 0.00000025 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 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 3.54033 3.38144 2.90577 2.71743 2.63924 2.48586 2.66064 2.60880 1.92294 1.93903 2.51885 2.64185 2.62930 2.55729 2.95575 2.92967 2.93442 2.91651 2.09373 2.08287 2.08090 2.08967 2.08949 2.08222 2.08547 2.08666 2.08765 2.08932 2.08892 2.75066 2.65735 2.73914 2.70435 2.61292 2.05564 2.06025 2.70646 2.06797 2.70687 2.86433 2.64236 2.06738 2.64071 2.06832 2.70232 2.07058 2.07081 2.09085 2.08025 2.09084 1.52826 2.11475 2.10232 2.05747 2.16468 2.07383 2.09065 2.11870 1.97545 2.05221 1.90840 1.92474 1.90463 1.91865 1.88808 1.91887 2.01365 1.84851 1.89815 1.91078 1.92583 1.85948 1.92186 1.93921 1.91434 1.89936 1.90776 1.88060 1.96836 1.95585 1.88420 1.89085 1.87581 1.88544 1.95667 1.94631 1.92324 1.87489 1.87564 1.88396 2.08525 2.01129 2.18621 2.12544 1.95403 2.19694 2.15124 2.07919 2.05063 2.05021 2.15481 2.07802 1.93628 2.10308 2.24302 2.02949 2.07162 2.18145 2.11355 2.07625 2.09339 2.15608 2.05151 2.07560 2.14343 2.04523 2.09452 2.10716 2.08167 2.09434 2.10864 2.04542 2.12910 2.09890 2.09448 2.08980 2.09788 2.09618 2.08911 1.93947 1.91144 1.94190 1.89943 1.86997 1.90050 3.06241 0.03881 -0.04257 3.05940 -0.80920 1.30245 -2.87123 2.47629 -1.69525 0.41425 -0.44247 2.72924 2.55881 -0.55267 0.97434 -2.30241 -2.02799 0.97845 3.07053 -0.10442 -1.19234 2.02110 3.05945 -0.05004 -0.08636 3.08734 -0.02450 -3.04228 -0.00979 -3.11509 0.01172 -3.12796 -0.01062 3.13310 -1.05117 3.11555 1.12292 3.11668 1.00022 -0.99241 1.02118 -1.09528 -3.08791 -1.06975 1.03593 3.11330 1.03576 3.14144 -1.06438 3.11247 -1.06503 1.01233 -1.34244 0.79687 2.87103 2.86600 -1.27788 0.79629 0.77064 2.90995 -1.29907 -1.14493 0.95821 3.05009 0.93751 3.04064 -1.15066 2.97865 -1.20140 0.89048 -3.09153 0.03136 -0.02069 3.10220 3.09630 -0.04555 0.02243 -3.11942 0.00407 -3.13947 -3.11968 0.01997 -3.14017 -0.00293 -0.01756 3.11968 0.04044 -3.14001 -3.05751 0.04522 -0.00677 3.13265 3.13508 -0.00869 3.13046 -0.00465 -0.00931 3.13877 -2.08722 0.01184 2.11378 1.05643 -3.12769 -1.02575 0.00412 3.14098 -3.13309 0.00377 -0.00420 -3.13905 3.13058 -0.00426 0.00698 -3.14133 -3.12988 0.00499 0.00000 -0.00002 -0.00006 0.00004 0.00005 -0.00004 -0.00001 0.00006 0.00000 0.00001 -0.00005 0.00000 -0.00004 0.00002 0.00002 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00004 0.00003 0.00001 0.00002 0.00000 0.00000 -0.00003 0.00000 0.00002 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00002 -0.00003 0.00002 0.00006 -0.00002 0.00002 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0.00001 0.00011 -0.00029 -0.00031 0.00040 0.00045 0.00042 0.00043 0.00048 0.00045 0.00031 0.00036 0.00034 -0.00058 -0.00085 -0.00091 -0.00061 -0.00088 -0.00094 -0.00048 -0.00075 -0.00081 -0.00053 -0.00053 -0.00060 -0.00049 -0.00049 -0.00056 -0.00058 -0.00059 -0.00065 0.00024 0.00009 0.00024 0.00021 0.00005 0.00021 0.00030 0.00015 0.00031 -0.00056 -0.00076 -0.00049 -0.00069 0.00032 0.00014 0.00024 0.00007 0.00038 0.00028 0.00057 0.00047 -0.00009 -0.00010 -0.00029 -0.00030 0.00002 0.00003 -0.00014 -0.00013 0.00017 0.00018 0.00035 0.00036 -0.00042 -0.00030 -0.00032 -0.00021 0.00078 0.00074 0.00084 0.00077 0.00073 0.00083 -0.00005 -0.00014 -0.00004 -0.00013 -0.00002 -0.00002 -0.00014 -0.00014 0.00021 0.00022 0.00030 0.00030 -0.00018 0.00005 -0.00010 0.00007 0.00007 0.00003 0.00003 0.00003 0.00002 0.00002 -0.00002 -0.00002 -0.00004 0.00000 0.00014 -0.00006 0.00005 -0.00001 -0.00002 0.00001 -0.00003 0.00002 0.00000 -0.00002 -0.00001 0.00000 -0.00001 -0.00003 0.00000 0.00002 -0.00001 -0.00002 0.00001 0.00000 0.00000 0.00000 -0.00002 0.00000 0.00002 -0.00001 -0.00002 -0.00003 -0.00003 0.00000 0.00002 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00005 -0.00003 0.00005 -0.00001 -0.00010 0.00005 0.00005 -0.00004 0.00001 -0.00002 0.00012 0.00010 0.00001 -0.00001 -0.00020 -0.00002 0.00000 -0.00006 0.00000 0.00008 0.00002 0.00006 -0.00004 -0.00010 0.00002 0.00010 -0.00003 -0.00007 0.00002 0.00001 0.00005 0.00005 -0.00005 -0.00006 0.00000 0.00004 -0.00001 -0.00002 0.00005 0.00000 0.00017 -0.00017 -0.00009 0.00007 0.00002 -0.00003 0.00002 0.00000 0.00000 0.00002 -0.00002 -0.00004 -0.00009 0.00013 0.00001 -0.00001 0.00000 -0.00001 0.00003 -0.00002 0.00000 -0.00002 0.00002 0.00000 -0.00002 0.00002 0.00001 -0.00006 0.00005 -0.00001 -0.00006 0.00007 0.00000 0.00006 -0.00006 0.00000 0.00006 -0.00006 -0.00001 0.00000 0.00000 -0.00003 -0.00002 0.00006 0.00000 0.00000 -0.00005 -0.00009 -0.00033 -0.00026 -0.00037 -0.00015 -0.00008 -0.00019 0.00027 0.00022 0.00008 0.00003 -0.00015 -0.00015 0.00004 0.00004 0.00039 0.00045 -0.00106 -0.00090 -0.00031 -0.00037 -0.00004 -0.00010 0.00005 0.00006 -0.00010 -0.00007 -0.00010 -0.00019 0.00006 -0.00026 0.00044 0.00046 0.00048 0.00030 0.00032 0.00034 0.00055 0.00057 0.00058 0.00050 0.00053 0.00041 0.00056 0.00059 0.00046 0.00043 0.00046 0.00033 -0.00002 -0.00001 -0.00005 -0.00005 -0.00004 -0.00008 0.00006 0.00008 0.00004 0.00026 0.00020 0.00029 0.00023 0.00018 0.00027 0.00030 0.00024 0.00033 0.00025 0.00033 0.00010 0.00018 -0.00029 -0.00022 -0.00014 -0.00008 0.00002 0.00012 -0.00006 0.00004 -0.00014 -0.00004 -0.00005 0.00005 0.00009 0.00007 0.00014 0.00011 0.00007 0.00039 0.00000 0.00033 0.00009 0.00006 0.00000 -0.00003 0.00130 0.00126 0.00134 0.00099 0.00095 0.00103 0.00003 0.00004 -0.00007 -0.00006 -0.00002 -0.00003 0.00001 0.00000 0.00000 0.00002 -0.00001 0.00001 0.00015 -0.00013 -0.00007 -0.00003 0.00012 -0.00013 -0.00023 0.00015 0.00000 0.00000 -0.00014 -0.00001 -0.00013 0.00008 0.00007 -0.00004 0.00007 0.00003 0.00000 0.00001 -0.00003 0.00005 -0.00002 -0.00003 -0.00001 0.00001 0.00001 -0.00004 -0.00002 -0.00003 0.00013 0.00009 -0.00002 0.00004 0.00000 0.00000 -0.00014 0.00000 0.00002 0.00000 0.00000 -0.00003 -0.00002 0.00001 0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00001 -0.00005 0.00000 -0.00009 0.00008 0.00053 -0.00017 0.00013 0.00004 0.00000 0.00000 -0.00004 0.00010 0.00001 0.00002 0.00006 -0.00015 -0.00009 0.00001 -0.00013 -0.00002 0.00017 0.00006 0.00009 -0.00008 -0.00012 -0.00019 0.00036 -0.00005 -0.00015 -0.00004 0.00006 0.00012 0.00011 -0.00010 -0.00016 -0.00002 0.00010 -0.00007 0.00000 0.00016 0.00008 0.00021 -0.00029 -0.00015 0.00002 0.00010 0.00006 -0.00003 -0.00003 -0.00002 0.00004 -0.00003 0.00004 -0.00007 0.00003 -0.00001 0.00000 0.00002 0.00001 -0.00006 0.00005 0.00002 0.00000 -0.00003 0.00001 -0.00008 0.00007 0.00003 -0.00010 0.00007 0.00002 -0.00013 0.00010 -0.00001 0.00006 -0.00005 0.00000 0.00007 -0.00007 -0.00006 0.00000 0.00004 -0.00004 -0.00006 0.00012 -0.00011 0.00009 -0.00011 0.00000 -0.00063 -0.00056 -0.00068 -0.00056 -0.00050 -0.00062 0.00062 0.00078 0.00055 0.00070 0.00040 0.00016 0.00047 0.00023 0.00004 -0.00012 -0.00031 -0.00024 -0.00100 -0.00085 -0.00064 -0.00049 -0.00005 0.00019 -0.00004 -0.00002 -0.00009 -0.00008 -0.00024 -0.00057 0.00084 0.00091 0.00090 0.00073 0.00080 0.00079 0.00086 0.00093 0.00092 -0.00008 -0.00032 -0.00050 -0.00005 -0.00029 -0.00048 -0.00005 -0.00029 -0.00048 -0.00055 -0.00054 -0.00065 -0.00054 -0.00053 -0.00064 -0.00052 -0.00051 -0.00061 0.00050 0.00029 0.00054 0.00044 0.00023 0.00048 0.00060 0.00039 0.00064 -0.00031 -0.00043 -0.00039 -0.00050 0.00003 -0.00008 0.00010 -0.00001 0.00040 0.00040 0.00051 0.00051 -0.00022 -0.00014 -0.00034 -0.00025 0.00011 0.00009 0.00000 -0.00002 0.00023 0.00057 0.00034 0.00069 -0.00033 -0.00024 -0.00033 -0.00024 0.00208 0.00200 0.00218 0.00176 0.00168 0.00185 -0.00002 -0.00010 -0.00011 -0.00018 -0.00004 -0.00006 -0.00013 -0.00015 0.00021 0.00023 0.00029 0.00031 3.54048 3.38131 2.90570 2.71740 2.63937 2.48574 2.66042 2.60895 1.92294 1.93903 2.51872 2.64184 2.62917 2.55737 2.95582 2.92963 2.93449 2.91654 2.09373 2.08288 2.08088 2.08972 2.08947 2.08219 2.08546 2.08667 2.08766 2.08928 2.08890 2.75063 2.65748 2.73924 2.70433 2.61295 2.05564 2.06024 2.70632 2.06797 2.70689 2.86433 2.64236 2.06735 2.64069 2.06833 2.70232 2.07058 2.07081 2.09087 2.08024 2.09083 1.52821 2.11475 2.10223 2.05755 2.16522 2.07366 2.09078 2.11874 1.97545 2.05220 1.90836 1.92484 1.90464 1.91867 1.88814 1.91872 2.01355 1.84852 1.89802 1.91077 1.92601 1.85953 1.92195 1.93913 1.91422 1.89916 1.90812 1.88055 1.96821 1.95582 1.88426 1.89097 1.87592 1.88534 1.95651 1.94629 1.92333 1.87482 1.87564 1.88412 2.08533 2.01149 2.18592 2.12530 1.95404 2.19704 2.15130 2.07916 2.05060 2.05019 2.15485 2.07799 1.93632 2.10301 2.24305 2.02948 2.07161 2.18146 2.11357 2.07619 2.09343 2.15610 2.05151 2.07557 2.14344 2.04515 2.09460 2.10719 2.08157 2.09441 2.10867 2.04530 2.12920 2.09889 2.09454 2.08975 2.09788 2.09624 2.08904 1.93941 1.91144 1.94194 1.89940 1.86991 1.90062 3.06230 0.03890 -0.04268 3.05940 -0.80982 1.30188 -2.87192 2.47573 -1.69575 0.41363 -0.44184 2.73001 2.55936 -0.55197 0.97474 -2.30225 -2.02751 0.97868 3.07057 -0.10454 -1.19265 2.02087 3.05844 -0.05089 -0.08700 3.08685 -0.02455 -3.04209 -0.00983 -3.11511 0.01163 -3.12804 -0.01085 3.13253 -1.05033 3.11646 1.12382 3.11741 1.00102 -0.99163 1.02204 -1.09435 -3.08699 -1.06983 1.03561 3.11279 1.03571 3.14115 -1.06486 3.11242 -1.06533 1.01185 -1.34299 0.79633 2.87039 2.86546 -1.27840 0.79565 0.77012 2.90945 -1.29968 -1.14443 0.95849 3.05063 0.93795 3.04087 -1.15018 2.97925 -1.20101 0.89113 -3.09184 0.03094 -0.02108 3.10170 3.09633 -0.04563 0.02253 -3.11943 0.00447 -3.13907 -3.11917 0.02048 -3.14039 -0.00307 -0.01790 3.11942 0.04056 -3.13992 -3.05751 0.04519 -0.00653 3.13322 3.13543 -0.00800 3.13013 -0.00489 -0.00964 3.13853 -2.08514 0.01384 2.11596 1.05819 -3.12602 -1.02390 0.00410 3.14088 -3.13319 0.00359 -0.00424 -3.13910 3.13045 -0.00441 0.00720 -3.14109 -3.12959 0.00530 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000063 0.000014 0.005488 0.000966 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.775125e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 2 2 2 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 14 14 15 15 16 16 17 18 18 19 20 21 21 22 22 23 23 24 25 25 25 13 16 7 12 13 12 14 12 37 38 13 17 19 20 8 9 10 11 26 27 28 29 30 31 32 33 34 35 36 15 18 19 21 17 40 41 20 39 22 25 23 42 24 43 24 44 45 46 47 48 1.8735 1.7894 1.5377 1.438 1.3966 1.3155 1.408 1.3805 1.0176 1.0261 1.3329 1.398 1.3914 1.3533 1.5641 1.5503 1.5528 1.5434 1.108 1.1022 1.1012 1.1058 1.1057 1.1019 1.1036 1.1042 1.1047 1.1056 1.1054 1.4556 1.4062 1.4495 1.4311 1.3827 1.0878 1.0902 1.4322 1.0943 1.4324 1.5157 1.3983 1.094 1.3974 1.0945 1.43 1.0957 1.0958 1.1064 1.1008 1.1064 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 A83 A84 A85 13 7 7 12 12 12 12 37 13 19 2 2 2 8 8 9 7 7 7 11 11 26 7 7 7 28 28 29 7 7 7 31 31 32 8 8 8 34 34 35 2 2 3 1 1 2 3 3 15 14 14 19 1 1 17 5 5 16 14 14 20 6 6 15 6 6 18 15 15 23 19 19 24 21 21 24 22 22 23 20 20 20 46 46 47 1 2 2 2 3 4 4 4 5 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 16 12 13 13 14 37 38 38 17 20 8 9 10 9 10 10 11 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 3 4 4 2 5 5 15 18 18 19 21 21 17 40 40 16 41 41 20 39 39 15 22 22 18 25 25 23 42 42 24 43 43 24 44 44 23 45 45 46 47 48 47 48 48 87.5628 121.1661 120.4543 117.8843 124.0271 118.8217 119.7855 121.3924 113.185 117.5829 109.3434 110.2793 109.1273 109.9307 108.179 109.9433 115.3734 105.9117 108.756 109.4797 110.3421 106.5402 110.1145 111.1087 109.6837 108.8252 109.3068 107.7503 112.7785 112.0622 107.9565 108.3378 107.4759 108.0279 112.1091 111.5152 110.1933 107.4233 107.4663 107.943 119.476 115.2383 125.2607 121.7789 111.9574 125.8751 123.257 119.129 117.4922 117.4685 123.4614 119.0616 110.9408 120.4975 128.5155 116.2812 118.6948 124.9877 121.0975 118.9601 119.9423 123.5341 117.5427 118.9231 122.8095 117.1832 120.0072 120.7314 119.2711 119.997 120.8164 117.1941 121.9885 120.2581 120.0047 119.7366 120.1996 120.102 119.6973 111.1232 109.5176 111.263 108.8295 107.1416 108.8904 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-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|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 16 16 13 13 12 12 12 13 13 13 7 7 13 13 7 7 12 12 14 14 12 12 37 37 38 38 17 17 13 13 20 20 19 19 2 2 2 9 9 9 10 10 10 2 2 2 8 8 8 10 10 10 2 2 2 8 8 8 9 9 9 7 7 7 26 26 26 27 27 27 3 3 18 18 3 3 15 15 14 14 21 21 14 14 19 19 1 1 40 40 14 14 39 39 6 6 15 15 6 6 6 18 18 18 15 15 42 42 19 19 43 43 21 21 44 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 13 13 16 16 7 7 7 7 7 7 12 12 12 12 13 13 13 13 12 12 14 14 12 12 12 12 13 13 17 17 19 19 20 20 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 15 15 15 15 18 18 18 18 19 19 19 19 21 21 21 21 17 17 17 17 20 20 20 20 22 22 22 22 25 25 25 25 25 25 23 23 23 23 24 24 24 24 24 24 24 2 5 17 40 8 9 10 8 9 10 3 4 3 4 1 5 1 5 2 4 15 18 2 3 2 3 1 2 16 41 15 22 18 25 11 26 27 11 26 27 11 26 27 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 19 21 19 21 20 39 20 39 6 22 6 22 23 42 23 42 5 41 5 41 6 25 6 25 24 43 24 43 46 47 48 46 47 48 24 44 24 44 23 45 23 45 22 45 22 175.4633 2.2237 -2.439 175.2909 -46.3635 74.6248 -164.5096 141.881 -97.1308 23.7349 -25.3516 156.3738 146.6092 -31.6654 55.8255 -131.9181 -116.195 56.0613 175.9286 -5.9828 -68.3161 115.8008 175.2933 -2.8672 -4.9482 176.8913 -1.4039 -174.3097 -0.5611 -178.4815 0.6714 -179.2188 -0.6082 179.5134 -60.2278 178.5081 64.3387 178.5724 57.3083 -56.8612 58.5093 -62.7547 -176.9242 -61.2921 59.3545 178.3787 59.3448 179.9914 -60.9844 178.3314 -61.022 58.0022 -76.9161 45.6574 164.4981 164.2096 -73.2169 45.6239 44.1545 166.728 -74.4312 -65.5996 54.9011 174.7572 53.7151 174.2158 -65.9281 170.6643 -68.835 51.021 -177.1316 1.797 -1.1855 177.7432 177.4046 -2.61 1.2851 -178.7295 0.2331 -179.8781 -178.7444 1.1444 -179.9186 -0.1681 -1.0061 178.7444 2.3173 -179.9095 -175.1826 2.5907 -0.3877 179.4874 179.6271 -0.4978 179.3619 -0.2663 -0.5335 179.8383 -119.5891 0.6783 121.1109 60.5289 -179.2037 -58.7711 0.2361 179.9647 -179.5126 0.216 -0.2408 -179.8542 179.3693 -0.2441 0.4002 -179.9848 -179.3292 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.3017999999998 AuxInfo=1/0/N:11,25,9,10,8,23,24,21,22,17,16,18,20,15,19,14,12,13,7,4,5,6,3,2,1/E:(3,4)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.2,22.2,23.2/rA:48SNN2NN2N2CCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s7;s7;s7;s8;s2s3s4;s1s2s5;s3;s14;s1;s5s16;s14;s6s15;s6s18;s15;s19;s21;s22s23;s20;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s4;s4;s18;s16;s17;s21;s22;s23;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.660106 0.000000 4.679253 2.396870 0.000000 3.533916 2.368920 2.386863 0.000000 2.585074 2.364350 4.472683 3.337889 0.000000 8.100912 6.378351 4.184755 4.852274 7.994947 0.000000 3.475305 1.453472 2.892556 3.732211 3.221570 7.076867 0.000000 4.866330 2.449018 2.962904 4.295302 3.919836 6.914596 1.544958 0.000000 3.975019 2.414350 2.964736 4.260425 4.524044 6.886945 1.535247 2.511542 0.000000 3.322226 2.428377 4.388822 4.775131 3.110687 8.564742 1.532969 2.553050 2.504127 0.000000 5.261571 3.030797 3.838754 4.606898 3.549381 7.510888 2.590600 1.525138 3.910343 3.088986 0.000000 3.521112 1.429524 1.317885 1.385536 3.281472 4.971951 2.523634 3.028308 3.010932 3.796901 3.635234 0.000000 1.700045 1.393230 3.665721 2.734401 1.295920 7.359802 2.419079 3.501929 3.460121 2.573799 3.664616 2.462484 0.000000 5.722645 3.682812 1.403812 2.789444 5.547285 2.781382 4.296343 4.230756 4.233459 5.788647 4.966606 2.354398 4.816482 0.000000 6.710339 4.547823 2.449574 3.450817 6.070479 2.409896 5.172669 4.766545 5.360421 6.638137 5.169342 3.245924 5.597989 1.400847 0.000000 1.714980 3.737396 5.908273 4.396840 2.339714 9.218693 4.567595 5.745830 5.415029 4.081868 5.706317 4.636757 2.376457 6.916741 7.691767 0.000000 2.535717 3.506069 5.674494 4.212563 1.381199 9.030696 4.337659 5.208831 5.502024 3.901281 4.838909 4.410622 2.161405 6.694275 7.261919 1.379065 0.000000 6.077275 4.472746 2.392283 3.398088 6.422049 2.414314 5.096112 5.292415 4.678561 6.547288 6.199374 3.185460 5.526499 1.386896 2.417617 7.422721 7.432412 0.000000 7.840034 5.860568 3.715038 4.451964 7.325843 1.346465 6.534611 6.157527 6.594583 8.010643 6.555280 4.492001 6.851971 2.410565 1.410707 8.822821 8.446170 2.763775 0.000000 7.297311 5.770750 3.642818 4.382453 7.577028 1.352654 6.442162 6.523406 6.042236 7.904668 7.330822 4.415768 6.763759 2.365533 2.730370 8.569603 8.557652 1.380170 2.316213 0.000000 6.862125 4.510804 2.875525 3.763529 5.697546 3.683339 5.038410 4.319551 5.565407 6.396131 4.351292 3.461095 5.488982 2.449729 1.405190 7.624221 6.959844 3.712182 2.442689 4.135174 0.000000 8.911152 6.867314 4.852133 5.445984 8.089999 2.372947 7.529030 6.960222 7.744121 8.966657 7.124138 5.556744 7.795951 3.673847 2.403322 9.738245 9.216868 4.155822 1.392179 3.598194 2.775236 0.000000 8.083166 5.784627 4.267178 4.919638 6.680519 4.168266 6.301718 5.436144 6.909439 7.586424 5.209212 4.786354 6.655161 3.717093 2.427225 8.688512 7.903175 4.844670 2.821991 4.967125 1.391883 2.413338 0.000000 9.027623 6.845917 5.083056 5.651668 7.818252 3.658330 7.440650 6.666786 7.889121 8.792343 6.561180 5.687862 7.721121 4.189432 2.788772 9.687426 8.984446 5.019897 2.435073 4.751268 2.403479 1.397147 1.389350 0.000000 8.033228 6.844763 4.872975 5.449478 8.679338 2.420214 7.501545 7.748193 6.891883 8.909083 8.666779 5.562908 7.766950 3.739258 4.222369 9.383252 9.548793 2.480709 3.661916 1.492373 5.626771 4.792262 6.413210 6.062732 0.000000 5.587608 3.382861 3.817437 5.345044 4.790754 7.659416 2.153947 1.099332 2.723795 2.776074 2.123973 4.033722 4.369057 5.039203 5.584932 6.486627 6.001535 6.017058 6.934352 7.240341 5.143620 7.719212 6.192747 7.410686 8.409054 0.000000 5.389241 2.780140 2.315799 4.102189 4.532866 5.980431 2.218945 1.092083 2.755249 3.520560 2.137745 2.814947 4.036023 3.404002 3.855659 6.388370 5.874272 4.514084 5.211384 5.663441 3.475929 6.012920 4.625130 5.781540 6.931376 1.730323 0.000000 4.685463 2.820451 2.385196 4.172384 5.132202 6.009182 2.218565 2.706095 1.092793 3.482305 4.176998 2.888349 4.075868 3.473111 4.622543 6.173828 6.209712 3.848356 5.775788 5.168781 4.978438 6.953041 6.325027 7.195951 6.025618 2.958219 2.497279 0.000000 3.405154 2.608314 3.381732 4.214498 4.584594 7.088643 2.190478 3.474965 1.096430 2.834730 4.753204 3.197004 3.372026 4.547279 5.803860 4.998334 5.353162 4.743279 6.956071 6.103122 6.174765 8.188472 7.553072 8.456293 6.780403 3.772163 3.729252 1.765826 0.000000 4.734628 3.365523 3.921318 5.343352 5.263878 7.748942 2.173560 2.855902 1.096908 2.671058 4.265370 4.070040 4.293343 5.151737 6.225584 6.099172 6.191768 5.576742 7.451408 6.907976 6.359562 8.567585 7.657602 8.667185 7.708327 2.625250 3.217581 1.746778 1.765015 0.000000 2.789912 2.804713 4.858910 4.997559 3.381788 8.953521 2.212172 3.520895 2.707709 1.094687 4.145865 4.163861 2.661996 6.223873 7.212487 3.665538 3.852516 6.795360 8.534495 8.165997 7.131350 9.580089 8.378222 9.521659 9.032129 3.735065 4.388215 3.778230 2.609425 2.862002 0.000000 3.463896 2.743292 4.873616 4.925060 2.550151 8.985293 2.229838 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0.000000 8.366950 5.922824 3.801747 4.546617 7.279031 1.391364 6.509101 5.929855 6.750067 7.968496 6.187805 4.562860 6.963261 2.483176 1.449492 9.143490 8.494418 2.773722 0.000000 7.922140 6.029882 3.747844 4.917367 7.493436 1.353257 6.631532 6.493773 6.389894 8.164109 7.205793 4.720703 6.962235 2.471645 2.818761 8.867958 8.520781 1.432197 2.347521 0.000000 7.191231 4.422845 3.017037 3.406059 5.757555 3.781252 4.901088 4.063643 5.623158 6.161882 3.906104 3.336716 5.517384 2.542403 1.431078 7.893836 7.110191 3.785719 2.482787 4.246442 0.000000 9.501742 6.935006 4.997914 5.458427 8.141849 2.414720 7.490264 6.711476 7.892173 8.871967 6.705158 5.621053 7.962927 3.794067 2.482167 10.167611 9.387357 4.206048 1.432414 3.644503 2.837515 0.000000 8.472930 5.701227 4.413871 4.546693 6.815074 4.240414 6.139491 5.140067 6.938967 7.292238 4.699897 4.671089 6.729402 3.811841 2.459327 9.052603 8.153431 4.903581 2.850534 5.049613 1.398279 2.451119 0.000000 9.550586 6.846842 5.242714 5.461206 7.945013 3.703583 7.339614 6.388527 7.976100 8.585819 6.088247 5.667953 7.866714 4.304568 2.850161 10.130035 9.240096 5.073506 2.460772 4.807015 2.452594 1.397403 1.430004 0.000000 8.726066 7.177649 4.978434 6.140710 8.581722 2.450077 7.763026 7.768765 7.301168 9.282614 8.602465 5.942805 8.011675 3.852244 4.334488 9.694132 9.480705 2.553420 3.728282 1.515738 5.761573 4.863359 6.520038 6.140367 0.000000 5.553740 3.461510 3.904030 5.215366 5.553716 7.493209 2.150398 1.107953 2.706363 2.721400 2.179437 4.038812 4.595642 4.958822 5.365719 6.865103 6.716816 6.003618 6.682621 7.181845 4.906233 7.433379 5.890318 7.101726 8.392272 0.000000 5.422543 2.788756 2.331005 3.887564 5.037569 5.760054 2.184022 1.102206 2.745561 3.480688 2.186202 2.727798 4.160731 3.230081 3.606440 6.658041 6.338103 4.366960 4.942218 5.500074 3.297973 5.771688 4.443912 5.574133 6.790713 1.771366 0.000000 4.286875 2.788902 2.445191 4.356262 5.112507 6.183247 2.188654 2.782664 1.101166 3.501753 4.245839 2.998547 3.866730 3.564988 4.713085 5.913024 6.089752 4.025337 5.890365 5.377885 5.080454 7.095171 6.420562 7.321285 6.256185 3.052946 2.520396 0.000000 2.965201 2.790265 3.671233 4.831107 4.594077 7.686949 2.204785 3.524088 1.105805 2.806668 4.812301 3.634226 3.263622 4.958369 6.157010 4.733710 5.245500 5.383904 7.402896 6.795938 6.414105 8.618400 7.768934 8.778675 7.567716 3.726424 3.769829 1.794774 0.000000 4.490063 3.492389 4.009126 5.599323 5.642968 7.850140 2.186515 2.791514 1.105711 2.760137 4.235412 4.257529 4.360130 5.214743 6.184500 6.173810 6.505681 5.798583 7.431772 7.123275 6.255487 8.515480 7.498455 8.548266 8.004808 2.483675 3.094571 1.800079 1.786318 0.000000 2.706173 2.939576 4.956113 5.254840 3.867229 9.252942 2.224918 3.497720 2.706045 1.101862 4.134274 4.347847 2.851647 6.363551 7.238882 3.969903 4.370187 7.179851 8.650006 8.596046 7.011346 9.647497 8.205835 9.458934 9.596695 3.645588 4.348197 3.755627 2.527164 2.935126 0.000000 3.545480 2.680734 4.808441 4.675456 3.311221 8.965031 2.217325 2.899191 3.507435 1.103586 2.847945 3.997477 2.714013 6.131514 6.682559 4.284102 4.115910 7.215787 8.131688 8.551781 6.133981 8.924284 7.156770 8.508519 9.751030 3.275256 3.893925 4.363592 3.755867 3.824281 1.788058 0.000000 4.351728 3.449792 5.057769 5.707336 4.849043 9.191621 2.165133 2.607413 2.876077 1.104215 3.152566 4.677096 3.914237 6.386581 7.021616 5.545821 5.654346 7.366796 8.436603 8.708528 6.574730 9.280431 7.628909 8.935039 9.835453 2.347403 3.631653 3.842352 3.314208 2.660122 1.778805 1.786464 0.000000 5.608461 3.566949 4.795322 4.928980 4.657891 8.354758 2.960301 2.210385 4.349956 2.789380 1.104736 4.285260 4.253626 5.826763 5.898982 6.325047 5.804115 7.126025 7.282713 8.264967 4.969881 7.774179 5.684208 7.094371 9.640347 2.509122 3.112790 4.861711 5.092909 4.485701 3.860039 2.367680 2.725257 0.000000 5.272299 2.735922 3.591960 3.344249 3.776992 6.897395 2.871089 2.203618 4.306786 3.387348 1.105618 2.956131 3.552033 4.454210 4.410675 5.862886 5.112471 5.816826 5.795085 6.881785 3.467603 6.297970 4.274253 5.674439 8.304596 3.108280 2.607028 4.510063 5.022123 4.816053 4.370269 2.977468 3.796459 1.781654 0.000000 6.633258 4.046041 4.327315 4.819756 5.506696 7.171648 3.567711 2.186705 4.735891 4.074214 1.105411 4.187311 5.086989 5.007891 4.748392 7.452121 6.824179 6.350773 6.007261 7.289724 3.676096 6.330678 4.209360 5.578539 8.727760 2.558834 2.474417 4.864145 5.682577 4.895421 5.168494 3.906086 4.002365 1.781977 1.788113 0.000000 5.236440 3.312026 2.637276 1.017577 3.688008 4.458703 4.627699 4.816517 5.298159 5.766787 4.880946 2.072619 3.746407 2.615053 2.886703 5.559325 4.766518 3.441668 3.847541 4.268720 3.151364 4.741541 4.188205 4.883462 5.490556 5.894900 4.386109 4.892238 5.573000 6.306851 6.225377 5.662624 6.621976 5.713653 4.033103 5.347538 0.000000 4.099884 2.538461 3.298133 1.026090 2.001138 6.180924 4.006930 4.480055 4.998818 4.738338 4.318793 2.089507 2.447261 3.923496 4.298551 4.120903 3.145990 4.877664 5.466418 5.914130 4.129854 6.264196 5.138940 6.129166 7.104515 5.567296 4.472490 4.972823 5.142561 5.998708 5.124624 4.402703 5.702250 4.867476 3.365471 5.043169 1.782158 0.000000 6.067071 4.613195 2.636020 4.155161 6.224024 3.420963 5.158256 5.454049 4.639808 6.633784 6.460475 3.587555 5.452024 2.159906 3.443520 7.211065 7.132329 1.094325 3.867395 2.193921 4.689860 5.299487 5.895744 6.150725 2.760600 6.106676 4.636808 3.658183 4.835432 5.447966 6.868025 7.167573 7.239037 7.396217 6.217307 6.833884 3.894124 5.101664 0.000000 2.522077 4.957158 6.901666 5.769054 3.405811 10.537868 5.759325 7.161401 6.190011 5.330604 7.397456 5.837746 3.604807 8.008070 8.954715 1.087799 2.228999 8.507330 10.163252 9.780701 8.973668 11.205753 10.130516 11.193458 10.520326 7.805022 7.687593 6.789770 5.461072 6.950902 4.655070 5.130627 6.313221 7.273943 6.912502 8.481506 6.557301 5.147044 8.064785 0.000000 3.685740 4.548415 6.379349 4.503032 2.146316 9.616943 5.721407 6.722144 6.670325 5.505013 6.466476 5.097623 3.277616 7.286499 7.853490 2.197551 1.090236 8.041631 9.016844 9.169369 7.618632 9.809335 8.542333 9.600649 10.138798 7.592759 7.178802 7.114793 6.330572 7.551346 5.341803 4.897601 6.540876 6.419430 5.674997 7.425652 5.209150 3.573734 7.936189 2.685858 0.000000 6.421249 3.592171 2.703398 2.992767 4.976278 4.678307 3.995190 3.129519 4.909486 5.154771 2.843832 2.755042 4.701348 2.780745 2.185367 7.134544 6.363186 4.168163 3.473181 4.919273 1.094008 3.931473 2.163707 3.445348 6.420480 4.038120 2.550624 4.545181 5.717752 5.526686 6.046031 5.074042 5.565350 3.898646 2.381601 2.744528 3.076738 3.589568 4.898289 8.222067 6.910888 0.000000 10.449126 7.952387 5.934495 6.404039 9.125073 2.589097 8.520757 7.761682 8.839558 9.928188 7.791954 6.606125 8.958627 4.645546 3.458839 11.103990 10.333310 4.799489 2.163961 3.937872 3.931619 1.094506 3.457603 2.184294 4.893079 8.453510 6.793139 7.988362 9.540935 9.455191 10.681611 10.002808 10.335498 8.862341 7.392032 7.393729 5.615077 7.212911 5.866352 12.123770 10.731270 5.025557 0.000000 8.775765 5.997890 5.081489 5.011847 6.960299 5.335711 6.351611 5.240861 7.320240 7.327029 4.502114 5.161293 6.968045 4.703588 3.452103 9.267447 8.297596 5.891143 3.946172 6.126013 2.165197 3.438744 1.095706 2.190858 7.606052 5.938412 4.726133 6.939317 8.182997 7.812988 8.304186 7.069256 7.594331 5.363501 4.098966 3.877578 4.798312 5.435294 6.838614 10.342829 8.621891 2.493168 4.361868 0.000000 10.544165 7.827300 6.317390 6.419167 8.818615 4.579157 8.295657 7.267004 8.990223 9.478202 6.828862 6.690999 8.817644 5.400382 3.945932 11.055546 10.103237 6.139500 3.454181 5.772769 3.439931 2.165549 2.190530 1.095826 7.028492 7.936309 6.502136 8.363845 9.817186 9.524375 10.388324 9.340061 9.785750 7.777168 6.427462 6.215366 5.839701 7.010847 7.223401 12.117139 10.396183 4.343580 2.526898 2.516386 0.000000 8.837135 7.372143 5.177794 6.673884 8.980588 3.186811 7.769247 7.790540 7.109250 9.283339 8.778637 6.260827 8.265213 4.206865 4.844271 9.965805 9.878126 2.874816 4.376481 2.174947 6.250206 5.540294 7.079081 6.775364 1.106433 8.289891 6.810992 6.032981 7.368197 7.704397 9.556924 9.862979 9.756066 9.794602 8.608817 8.906817 6.149054 7.656008 2.819893 10.771501 10.619953 6.828249 5.602087 8.145642 7.678694 0.000000 9.753341 8.106031 5.862197 6.905489 9.451922 2.507288 8.705432 8.596791 8.308749 10.237178 9.339159 6.812612 8.955383 4.621273 4.813038 10.659398 10.371331 3.456434 3.897071 2.150394 6.194453 4.772372 6.747218 6.137425 1.100823 9.220288 7.581906 7.256476 8.624549 8.990175 10.602248 10.665021 10.771587 10.404800 9.020503 9.370568 6.163183 7.859810 3.822365 11.495158 10.973861 6.980612 4.555321 7.842616 6.905544 1.795055 0.000000 8.419902 7.181299 5.182480 6.061164 8.356114 3.197220 7.910556 8.115543 7.438308 9.376839 8.951551 5.982195 7.845022 4.196390 4.849178 9.283517 9.122274 2.865182 4.389167 2.176696 6.266126 5.561473 7.102426 6.799968 1.106427 8.801007 7.216858 6.451194 7.552804 8.227249 9.588261 9.824132 10.023207 9.948762 8.571462 9.194087 5.408885 6.956078 2.805758 10.040416 9.746656 6.844795 5.626213 8.173134 7.707095 1.780448 1.795733 0.000000 0.3480167 0.1203118 0.1105981 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 293 295 296 296 296 MxSgAt= 48 MxSgA2= 48. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 20100 NPrTT= 101169 LenC2= 17308 LenP2D= 53261. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 304 RedAO= T EigKep= 6.10D-04 NBF= 304 NBsUse= 304 1.00D-06 EigRej= -1.00D+00 NBFU= 304 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 293 293 294 295 295 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 0 1 -1407.60009980996 -1407.61950499912 -0.019405189161 -1407.97536590014 -0.355860901019 -1406.71792368089 1.257442219252 -1408.02830936755 -1.310385686667 -1408.15176645162 -0.123457084071 -1408.15776788550 -0.006001433871 -1408.15825966532 -0.000491779827 -1408.15833847948 -0.000078814154 -1408.15834553746 -0.000007057981 -1408.15834182642 0.000003711041 -1408.15835134879 -0.000009522370 -1408.15834563139 0.000005717398 -1408.15835228599 -0.000006654603 -1408.15835250754 -0.000000221549 -1408.15835251082 -0.000000003281 -1408.15835251120 -0.000000000381 -1408.15835251130 -0.000000000098 -1408.15835251137 -0.000000000074 -1408.15835251 19 1.404012836113e+03 -8.060811086977e+03 2.865861282714e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 299542 IEndB= 299542 NGot= 939524096 MDV= 939333915 LenX= 939333915 LenY= 939241058 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. 2.29523160e+00 5.53822473e-01 8.06241407e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 7 7 7 7 7 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 1 1 0.009698498 0.066590847 -0.010072118 -0.031337945 0.007301180 0.020216088 0.009661037 -0.004928247 0.006435504 0.001182260 0.003230258 0.009735644 0.012860009 -0.022508936 0.024718265 -0.017355109 0.030488596 -0.000259121 -0.011951882 -0.002342323 -0.024139529 0.008175062 -0.015058183 -0.012042924 0.004245295 0.005798983 -0.017742878 0.009548670 -0.008676102 -0.017019402 -0.001607288 -0.002937939 0.001903733 0.012966536 -0.002062003 -0.004295269 -0.060827486 -0.018509645 -0.030592156 0.036431584 0.015768842 -0.012703250 0.009965519 -0.016682679 -0.000875149 0.024243144 -0.004176001 0.024524565 0.014751341 -0.010629244 0.016567875 0.016568803 -0.003315617 -0.005460181 0.003206493 -0.004179148 -0.001594578 -0.038961221 0.009221220 0.008928801 0.005908320 -0.020048504 0.002658022 -0.025196598 -0.024792970 0.013543244 0.022453849 -0.006829099 -0.005398180 -0.023661685 0.009023076 0.005838276 -0.007776831 0.006000665 0.001234796 0.004209894 0.001819733 -0.007683494 -0.004660381 0.009927436 0.003382453 -0.005598058 -0.003073539 0.005097013 0.003496468 0.005156388 0.003330111 0.005033297 -0.001537213 -0.005534492 0.000398091 0.005725981 0.003542605 -0.001089589 -0.001283818 0.005778636 -0.002536591 -0.001964074 -0.005739342 0.006972180 -0.002234977 0.002242856 0.000586476 0.001272281 0.007522874 -0.003354304 -0.006055302 -0.002307722 -0.005040279 -0.000913932 -0.005400430 0.005029337 -0.002533868 -0.000104866 0.003771829 0.002621049 -0.001850251 0.003617465 0.000940096 0.002889658 0.003291753 -0.003004128 0.004182166 0.005913699 0.003568427 -0.003151044 -0.003499837 0.005162788 -0.000115811 0.002765380 -0.006147665 0.000252217 -0.004871842 -0.003970790 0.002323762 0.001704690 0.005269698 -0.006112319 -0.003592635 -0.001849121 0.001599648 0.004262582 0.007357523 0.001745692 0.066590847 0.013544803 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1408.20456330184 -1408.20458090835 -0.000017606508 -1408.20458061249 0.000000295860 -1408.20458100679 -0.000000394298 -1408.20458103674 -0.000000029955 -1408.20458104344 -0.000000006694 -1408.20458104364 -0.000000000202 -1408.20458104370 -0.000000000060 -1408.20458104373 -0.000000000030 -1408.20458104 9 1.402081583605e+03 -7.961154261823e+03 2.817202506700e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 299542 IEndB= 299542 NGot= 939524096 MDV= 939333915 LenX= 939333915 LenY= 939241058 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -88.134774 -14.050031 -14.027753 -14.014958 -13.983590 -13.975335 -10.023123 -10.013147 -9.963275 -9.953356 -9.949997 -9.948165 -9.934192 -9.929943 -9.913327 -9.903107 -9.902840 -9.902434 -9.896017 -9.894630 -9.892877 -9.892327 -9.884068 -9.880637 -9.879167 -7.736041 -5.757537 -5.753579 -5.747835 -0.935999 -0.897277 -0.853333 -0.841847 -0.809246 -0.762700 -0.748273 -0.736671 -0.716003 -0.688712 -0.678736 -0.666879 -0.661423 -0.629607 -0.625811 -0.598664 -0.574074 -0.561722 -0.559608 -0.543592 -0.534891 -0.533209 -0.503343 -0.483781 -0.473476 -0.465910 -0.456134 -0.446391 -0.435409 -0.431299 -0.416028 -0.401927 -0.400067 -0.395559 -0.387162 -0.382770 -0.377130 -0.374215 -0.372530 -0.363314 -0.353635 -0.347906 -0.346877 -0.345176 -0.343464 -0.336664 -0.332380 -0.324016 -0.318007 -0.306296 -0.303351 -0.300739 -0.296128 -0.293769 -0.284348 -0.275371 -0.270022 -0.253885 -0.248312 -0.224339 -0.215838 -0.214736 -0.198729 -0.189912 -0.182687 -0.082350 -0.068514 -0.038707 -0.035186 -0.015399 -0.010249 0.000776 0.028803 0.048363 0.065557 0.076018 0.087670 0.096971 0.104765 0.107266 0.110878 0.113934 0.118290 0.123239 0.125918 0.130467 0.133481 0.135273 0.136886 0.141794 0.150147 0.157543 0.159981 0.162159 0.164684 0.171059 0.174491 0.176950 0.180246 0.181513 0.183064 0.195714 0.199577 0.202215 0.205398 0.214260 0.217660 0.230404 0.234046 0.238774 0.246161 0.253325 0.254431 0.258994 0.261404 0.262808 0.267615 0.270173 0.273963 0.277148 0.282962 0.285031 0.288621 0.299684 0.305525 0.314209 0.318969 0.323581 0.328778 0.335953 0.338202 0.341778 0.348011 0.350097 0.354319 0.360218 0.362195 0.365220 0.369311 0.370932 0.374546 0.378471 0.384761 0.387383 0.388914 0.395091 0.401081 0.407507 0.411365 0.417846 0.422155 0.427341 0.431785 0.437598 0.443228 0.445623 0.456509 0.468277 0.475083 0.478963 0.484129 0.491418 0.494826 0.506080 0.510974 0.524311 0.525462 0.539055 0.548744 0.558285 0.564493 0.568534 0.576439 0.591962 0.597792 0.606402 0.608643 0.627377 0.638354 0.640790 0.668591 0.675624 0.685787 0.692677 0.700675 0.706371 0.716687 0.733812 0.743315 0.756528 0.762074 0.795554 0.800154 0.815839 0.827802 0.838557 0.857472 0.869610 0.879230 0.899510 0.908777 0.919586 0.926857 0.941435 0.960620 0.974826 0.979247 0.990165 1.001276 1.009261 1.018885 1.034764 1.041178 1.057564 1.063356 1.074036 1.078250 1.096549 1.107509 1.114707 1.120587 1.144718 1.146629 1.151785 1.157663 1.170774 1.185983 1.200376 1.217532 1.221978 1.243232 1.258576 1.261359 1.283236 1.292739 1.299520 1.331479 1.354123 1.392165 1.419783 1.434152 1.468041 1.487692 1.519373 1.556991 1.623424 5.101391 5.112953 5.234501 7.391098 22.315228 22.369120 22.445864 22.472943 22.497331 22.511532 22.553660 22.592451 22.604702 22.618669 22.630336 22.643029 22.648948 22.658877 22.673175 22.701889 22.709503 22.761734 22.797213 31.481569 31.499788 31.556442 31.576233 31.617426 191.640600 121.095941 22.046192 22.046050 22.045005 22.044439 22.045640 15.959459 15.956314 15.962509 15.956160 15.955232 15.955112 15.956279 15.953688 15.952663 15.955537 15.954836 15.954457 15.954118 15.953036 15.956992 15.955318 15.957117 15.955439 15.955432 18.392341 17.455058 17.459961 17.470010 1.824317 1.885129 1.791480 1.904655 1.994617 1.552371 2.064735 1.584181 1.743731 1.602406 1.832958 1.424632 1.631712 1.551513 1.376950 1.746034 1.482592 1.512518 1.581617 1.633741 1.522323 1.560563 1.524259 1.399207 1.485993 1.395681 1.465434 1.429755 1.194345 1.479090 1.210183 1.251780 1.349467 1.328188 1.188612 1.292211 1.146448 1.003351 1.199275 1.315034 1.312319 1.322421 1.198819 1.179476 1.175157 1.522489 1.240977 1.223190 1.145248 1.362004 1.259988 1.376655 1.352642 1.290559 1.176080 1.312167 1.680931 1.964667 1.553999 1.482472 1.647859 1.237977 1.842814 1.879474 1.576985 1.864964 1.571329 1.471466 2.040009 1.796457 1.801390 1.821984 2.292005 1.654104 1.670910 1.242982 1.558676 1.161576 1.251204 1.379660 1.119816 1.144794 1.209346 1.228106 1.275089 1.358727 1.244407 1.185584 1.702339 1.371353 1.317696 1.340481 1.393309 1.162791 1.160483 1.181960 1.327859 1.339954 1.260494 1.200310 1.318229 1.099626 1.250411 1.354515 1.269236 1.345082 1.561190 1.450529 1.538644 1.553933 1.229177 1.589427 1.673427 1.766400 1.367825 1.576683 1.334519 1.495899 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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 47 H 1S 2S 48 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 1 S 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 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|47 H 1S|2S|48 H 1S|2S 0.74109 1.22727 0.97866 1.00684 1.09812 0.84833 1.79860 1.79862 1.79721 0.21037 0.21069 0.21027 0.70600 0.70248 0.69285 0.56746 0.62114 0.51020 1.15913 0.83108 0.80777 0.75787 0.92056 1.18685 0.98105 0.02786 0.40591 0.14106 1.15945 0.83059 0.84921 0.76052 0.92137 1.00198 1.08465 -0.08078 0.31384 0.29300 1.15905 0.83129 0.81932 0.74425 1.02738 1.17209 0.95868 0.25823 0.49909 0.17948 1.15973 0.83040 0.88030 0.76455 0.97782 1.01300 0.94487 0.20717 0.28732 0.00604 1.15977 0.83026 0.88719 0.76155 1.13484 0.91912 0.86772 0.29829 -0.08430 0.27810 1.17454 0.81395 0.74172 0.46974 0.88904 0.88496 0.72113 -0.02388 -0.01025 -0.00587 1.17429 0.81415 0.72257 0.64866 0.92064 0.84808 0.89097 0.18462 0.05505 0.15300 1.17424 0.81423 0.72293 0.72208 0.94868 0.87558 0.88973 0.25260 0.15089 0.16742 1.17423 0.81422 0.72185 0.73164 0.86616 0.92147 0.92862 0.14297 0.22204 0.22830 1.17423 0.81434 0.72187 0.70470 0.92100 0.88091 0.90725 0.23628 0.16337 0.20243 1.17441 0.81433 0.77474 0.23627 0.85433 0.81088 0.86024 0.00056 0.16740 0.09092 1.17447 0.81406 0.75674 0.53585 0.84485 0.81423 0.86012 0.17660 0.17214 0.04633 1.17440 0.81388 0.76383 0.37257 0.85498 0.94350 0.77128 -0.05661 -0.04620 0.20751 1.17431 0.81376 0.74798 0.46167 0.90263 0.91178 0.80288 -0.17454 -0.10210 0.22236 1.17444 0.81420 0.76081 0.59526 0.90982 0.88343 0.80790 0.24564 0.21571 0.07284 1.17441 0.81427 0.77125 0.40506 0.81859 0.84837 0.92735 0.13681 0.16751 0.12092 1.17432 0.81399 0.74532 0.56465 0.90878 0.91984 0.80572 0.08790 0.17866 0.25294 1.17439 0.81379 0.76336 0.41388 0.90616 0.88399 0.78608 0.09287 0.06349 0.20221 1.17446 0.81404 0.77096 0.35995 0.89595 0.89418 0.74984 0.08238 -0.09853 0.20657 1.17436 0.81389 0.75172 0.55898 0.94103 0.90815 0.76971 0.16694 0.02429 0.24166 1.17440 0.81399 0.75530 0.54957 0.93578 0.91333 0.75866 0.18435 0.01496 0.22955 1.17440 0.81410 0.75191 0.54417 0.90502 0.93475 0.76803 -0.00443 0.15566 0.23952 1.17442 0.81413 0.75483 0.54127 0.90998 0.93019 0.76299 0.02930 0.07479 0.24167 1.17420 0.81429 0.72562 0.72183 0.93150 0.88124 0.92044 0.24378 0.16644 0.21223 0.51349 0.28662 0.51118 0.22033 0.50507 0.21428 0.51132 0.27979 0.50981 0.28451 0.51148 0.25799 0.51018 0.24401 0.51061 0.26104 0.51294 0.25937 0.51096 0.26128 0.51015 0.27170 0.48871 0.16882 0.47076 0.15555 0.51280 0.23656 0.50462 0.22482 0.51095 0.22779 0.51759 0.22855 0.51261 0.22773 0.51635 0.25700 0.51595 0.25599 0.50726 0.26604 0.50738 0.24125 0.50768 0.26901 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 S N N N N N 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 H H 0.273789 -0.219133 -0.133812 -0.648860 -0.071188 -0.052540 0.344917 -0.412019 -0.718375 -0.751482 -0.726385 0.215929 -0.195396 0.200853 0.239273 -0.480053 -0.184537 -0.452120 -0.100224 0.150187 -0.350742 -0.329897 -0.283127 -0.233581 -0.791562 0.199884 0.268489 0.280654 0.208895 0.205678 0.230528 0.245807 0.228346 0.227684 0.227760 0.218147 0.342465 0.373689 0.250643 0.270553 0.261259 0.253866 0.259659 0.226644 0.228061 0.226702 0.251367 0.223305 0.00000 2.04551384e+00 -1.18981873e-01 4.05397818e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 5.1992 -0.3024 1.0304 5.3089 -154.0492 -147.9857 -149.3469 6.4871 2.5892 1.8227 -3.5886 2.4749 1.1137 6.4871 2.5892 1.8227 1.7798 -54.9233 24.1018 -68.8871 -9.3329 42.2011 -2.8392 -14.6853 1.9343 28.3161 -9685.2859 -2587.2335 -1594.3364 158.7120 215.2458 -213.7016 -125.9854 75.0519 -76.8411 -1952.4687 -1801.5485 -751.8719 10.7273 -9.2361 -75.2671 0 -1408.204581 6.055E-9 2.463E-5 -2.6680403,1.8400448,0.8279955,4.8230357,1.9250248,1.3550974 C01 [X(C19H23N5S1)] 2.0455138 -0.1189819 0.4053978 @ 0.000003635 0.000007402 0.000016595 -0.000012640 -0.000021226 -0.000104157 -0.000013159 -0.000043738 0.000074997 -0.000034736 -0.000014752 0.000041015 -0.000005435 0.000013643 -0.000046719 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-0.000002798 -0.000001617 -0.000010745 0.000000331 0.000005366 0.000006793 -0.000002218 0.000009535 0.000006355 -0.000008723 0.000006801 -0.000004133 -0.000010592 -0.000003544 0.000014973 -0.000002995 -0.000000242 -0.000000515 0.000016044 0.000004312 0.000002028 0.000013315 0.000003011 0.000000698 -0.000007672 -0.000004702 0.000000408 0.000002557 -0.000009088 0.000012021 -0.000003379 -0.000000192 0.000010643 -0.000003377 -0.000007220 -0.000006520 -0.000005791 0.000007069 -0.000009216 0.000000286 -0.000015038 -0.000003319 -0.000008486 -0.000000205 -0.000002687 0.000008457 0.000015895 0.000002019 -0.000018520 330.3017999999998 AuxInfo=1/0/N:11,25,9,10,8,23,24,21,22,17,16,18,20,15,19,14,12,13,7,4,5,6,3,2,1/E:(3,4)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.2,22.2,23.2/rA:48SNN2NN2N2CCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s7;s7;s7;s8;s2s3s4;s1s2s5;s3;s14;s1;s5s16;s14;s6s15;s6s18;s15;s19;s21;s22s23;s20;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s4;s4;s18;s16;s17;s21;s22;s23;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2032 CBGUSER 000051247 EM64L-G09RevD.01 16-May-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 138 C1[X(C19H23N5S)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 330.3017999999998 0 1 AuxInfo=1/0/N:11,25,9,10,8,23,24,21,22,17,16,18,20,15,19,14,12,13,7,4,5,6,3,2,1/E:(3,4)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.2,22.2,23.2/rA:48SNN2NN2N2CCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s7;s7;s7;s8;s2s3s4;s1s2s5;s3;s14;s1;s5s16;s14;s6s15;s6s18;s15;s19;s21;s22s23;s20;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s4;s4;s18;s16;s17;s21;s22;s23;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-19962.inp" -scrdir="/scratch/" chk=000051247-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 000051247 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 32 14 14 14 14 14 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 1 1 31.9720718 14.0030740 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 2 2 2 2 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 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000294 0.000071 0.093555 0.024917 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.957768e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2333.6656372725 304 704 304 94 94 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 48 48 48 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.3017999999998 AuxInfo=1/0/N:11,25,9,10,8,23,24,21,22,17,16,18,20,15,19,14,12,13,7,4,5,6,3,2,1/E:(3,4)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.2,22.2,23.2/rA:48SNN2NN2N2CCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s7;s7;s7;s8;s2s3s4;s1s2s5;s3;s14;s1;s5s16;s14;s6s15;s6s18;s15;s19;s21;s22s23;s20;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s4;s4;s18;s16;s17;s21;s22;s23;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.866422 0.000000 4.766007 2.379051 0.000000 4.360522 2.380460 2.394379 0.000000 2.674698 2.430867 4.352435 2.770857 0.000000 8.736731 6.565708 4.298110 5.216167 7.943544 0.000000 3.453126 1.537665 2.935950 3.777177 3.685230 7.173043 0.000000 4.963948 2.530638 3.030228 4.124633 4.631910 6.784455 1.564113 0.000000 3.681349 2.533842 3.117661 4.585298 4.728276 7.152221 1.550312 2.550120 0.000000 3.341336 2.518025 4.442628 4.810791 3.782050 8.690148 1.552826 2.524524 2.541062 0.000000 5.558236 3.085345 3.858278 4.191439 4.523750 7.261435 2.626259 1.543352 3.964394 3.052134 0.000000 3.908584 1.438001 1.315463 1.380520 3.061585 5.188048 2.592472 3.004240 3.260026 3.864390 3.492975 0.000000 1.873461 1.396628 3.563049 2.764166 1.332920 7.548895 2.547931 3.749782 3.426850 2.820380 4.047061 2.428370 0.000000 6.015068 3.707314 1.407953 2.903043 5.384636 2.892539 4.309444 4.137582 4.406643 5.820376 4.790491 2.405328 4.791204 0.000000 7.089731 4.526537 2.519688 3.365227 5.998460 2.503034 5.099024 4.541620 5.471943 6.534598 4.809758 3.216624 5.621783 1.455588 0.000000 1.789380 3.905504 5.881040 4.729639 2.361795 9.575089 4.802476 6.160097 5.350373 4.504096 6.378118 4.780077 2.535078 7.000209 7.908318 0.000000 2.623410 3.622994 5.556831 3.953753 1.398008 9.057270 4.757078 5.876558 5.620590 4.586196 5.810338 4.310421 2.279994 6.572653 7.271027 1.382697 0.000000 6.542928 4.675248 2.426370 3.868053 6.272839 2.445984 5.265682 5.287219 5.005259 6.788866 6.113632 3.444421 5.626059 1.406209 2.446618 7.581820 7.309559 0.000000 8.366950 5.922824 3.801747 4.546617 7.279031 1.391363 6.509100 5.929856 6.750066 7.968496 6.187805 4.562861 6.963261 2.483175 1.449492 9.143490 8.494418 2.773722 0.000000 7.922140 6.029881 3.747843 4.917367 7.493436 1.353257 6.631531 6.493773 6.389893 8.164109 7.205792 4.720703 6.962234 2.471644 2.818761 8.867958 8.520780 1.432196 2.347521 0.000000 7.191231 4.422844 3.017037 3.406059 5.757555 3.781251 4.901087 4.063643 5.623158 6.161882 3.906104 3.336716 5.517383 2.542403 1.431078 7.893835 7.110190 3.785720 2.482787 4.246442 0.000000 9.501742 6.935006 4.997914 5.458427 8.141849 2.414720 7.490263 6.711476 7.892173 8.871967 6.705158 5.621053 7.962927 3.794066 2.482166 10.167611 9.387357 4.206048 1.432413 3.644503 2.837516 0.000000 8.472929 5.701226 4.413870 4.546692 6.815073 4.240414 6.139490 5.140067 6.938966 7.292237 4.699896 4.671089 6.729401 3.811840 2.459327 9.052603 8.153430 4.903581 2.850534 5.049613 1.398278 2.451119 0.000000 9.550585 6.846842 5.242714 5.461206 7.945013 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2.899190 3.507435 1.103586 2.847945 3.997476 2.714013 6.131514 6.682560 4.284102 4.115910 7.215787 8.131688 8.551781 6.133981 8.924284 7.156770 8.508518 9.751030 3.275256 3.893926 4.363592 3.755867 3.824281 1.788059 0.000000 4.351728 3.449792 5.057768 5.707335 4.849043 9.191621 2.165133 2.607412 2.876077 1.104214 3.152565 4.677095 3.914237 6.386581 7.021615 5.545820 5.654345 7.366795 8.436602 8.708527 6.574729 9.280430 7.628908 8.935038 9.835452 2.347403 3.631653 3.842351 3.314208 2.660121 1.778805 1.786464 0.000000 5.608461 3.566950 4.795322 4.928980 4.657891 8.354757 2.960301 2.210384 4.349956 2.789380 1.104736 4.285260 4.253626 5.826762 5.898983 6.325048 5.804115 7.126024 7.282712 8.264967 4.969881 7.774179 5.684207 7.094370 9.640346 2.509121 3.112789 4.861711 5.092909 4.485700 3.860039 2.367680 2.725257 0.000000 5.272299 2.735922 3.591960 3.344249 3.776991 6.897395 2.871089 2.203618 4.306786 3.387347 1.105619 2.956131 3.552032 4.454210 4.410676 5.862886 5.112470 5.816826 5.795086 6.881785 3.467603 6.297970 4.274253 5.674439 8.304595 3.108280 2.607029 4.510063 5.022123 4.816053 4.370268 2.977468 3.796458 1.781654 0.000000 6.633259 4.046041 4.327315 4.819757 5.506697 7.171648 3.567712 2.186705 4.735892 4.074214 1.105411 4.187311 5.086989 5.007891 4.748393 7.452122 6.824179 6.350774 6.007261 7.289724 3.676096 6.330678 4.209360 5.578539 8.727760 2.558835 2.474417 4.864145 5.682577 4.895421 5.168494 3.906087 4.002365 1.781977 1.788114 0.000000 5.236440 3.312025 2.637276 1.017577 3.688008 4.458703 4.627698 4.816516 5.298158 5.766787 4.880946 2.072618 3.746407 2.615052 2.886703 5.559324 4.766517 3.441668 3.847541 4.268720 3.151364 4.741541 4.188205 4.883462 5.490555 5.894899 4.386109 4.892237 5.573000 6.306850 6.225376 5.662623 6.621975 5.713653 4.033102 5.347537 0.000000 4.099884 2.538461 3.298133 1.026089 2.001138 6.180923 4.006930 4.480055 4.998818 4.738338 4.318793 2.089506 2.447261 3.923495 4.298551 4.120903 3.145991 4.877664 5.466418 5.914129 4.129853 6.264196 5.138938 6.129166 7.104514 5.567295 4.472490 4.972822 5.142562 5.998708 5.124624 4.402703 5.702249 4.867476 3.365470 5.043169 1.782157 0.000000 6.067070 4.613194 2.636020 4.155161 6.224024 3.420963 5.158256 5.454049 4.639808 6.633784 6.460475 3.587555 5.452024 2.159906 3.443519 7.211065 7.132328 1.094324 3.867394 2.193920 4.689860 5.299486 5.895743 6.150724 2.760599 6.106675 4.636808 3.658183 4.835433 5.447967 6.868024 7.167572 7.239036 7.396216 6.217306 6.833884 3.894123 5.101664 0.000000 2.522077 4.957158 6.901667 5.769054 3.405811 10.537868 5.759325 7.161401 6.190011 5.330604 7.397456 5.837745 3.604806 8.008070 8.954715 1.087799 2.228999 8.507330 10.163252 9.780700 8.973668 11.205753 10.130515 11.193458 10.520325 7.805021 7.687593 6.789769 5.461072 6.950902 4.655070 5.130627 6.313221 7.273943 6.912501 8.481506 6.557300 5.147044 8.064785 0.000000 3.685740 4.548415 6.379349 4.503031 2.146315 9.616943 5.721407 6.722143 6.670325 5.505013 6.466476 5.097622 3.277615 7.286499 7.853490 2.197551 1.090236 8.041631 9.016844 9.169369 7.618632 9.809335 8.542332 9.600649 10.138798 7.592758 7.178802 7.114792 6.330573 7.551345 5.341802 4.897600 6.540875 6.419430 5.674996 7.425651 5.209149 3.573734 7.936189 2.685858 0.000000 6.421250 3.592171 2.703398 2.992767 4.976279 4.678307 3.995190 3.129519 4.909487 5.154771 2.843833 2.755043 4.701348 2.780744 2.185367 7.134544 6.363187 4.168163 3.473180 4.919273 1.094008 3.931473 2.163706 3.445347 6.420480 4.038120 2.550625 4.545182 5.717752 5.526686 6.046031 5.074042 5.565349 3.898646 2.381602 2.744529 3.076737 3.589567 4.898288 8.222067 6.910888 0.000000 10.449126 7.952386 5.934494 6.404039 9.125073 2.589097 8.520756 7.761682 8.839557 9.928187 7.791953 6.606126 8.958626 4.645545 3.458839 11.103990 10.333309 4.799490 2.163961 3.937873 3.931619 1.094505 3.457603 2.184294 4.893079 8.453510 6.793139 7.988362 9.540935 9.455191 10.681610 10.002807 10.335497 8.862340 7.392032 7.393729 5.615077 7.212910 5.866352 12.123769 10.731270 5.025556 0.000000 8.775765 5.997890 5.081489 5.011847 6.960299 5.335710 6.351611 5.240862 7.320240 7.327030 4.502115 5.161293 6.968045 4.703587 3.452103 9.267447 8.297596 5.891143 3.946172 6.126013 2.165197 3.438743 1.095706 2.190857 7.606051 5.938412 4.726133 6.939317 8.182998 7.812988 8.304186 7.069256 7.594331 5.363501 4.098967 3.877578 4.798311 5.435293 6.838613 10.342829 8.621891 2.493168 4.361867 0.000000 10.544165 7.827300 6.317390 6.419167 8.818615 4.579157 8.295656 7.267004 8.990223 9.478202 6.828862 6.690999 8.817644 5.400382 3.945933 11.055547 10.103237 6.139501 3.454181 5.772769 3.439931 2.165550 2.190531 1.095827 7.028492 7.936309 6.502136 8.363846 9.817187 9.524375 10.388324 9.340061 9.785750 7.777167 6.427463 6.215366 5.839701 7.010847 7.223401 12.117139 10.396183 4.343580 2.526898 2.516386 0.000000 8.837136 7.372143 5.177794 6.673885 8.980588 3.186811 7.769247 7.790541 7.109250 9.283340 8.778637 6.260828 8.265213 4.206865 4.844271 9.965805 9.878126 2.874815 4.376481 2.174946 6.250206 5.540294 7.079080 6.775363 1.106432 8.289891 6.810992 6.032982 7.368197 7.704398 9.556923 9.862979 9.756066 9.794602 8.608818 8.906817 6.149054 7.656008 2.819894 10.771501 10.619953 6.828249 5.602086 8.145641 7.678694 0.000000 9.753341 8.106030 5.862196 6.905488 9.451922 2.507288 8.705431 8.596791 8.308749 10.237177 9.339158 6.812612 8.955383 4.621273 4.813037 10.659397 10.371331 3.456434 3.897070 2.150394 6.194453 4.772372 6.747218 6.137424 1.100823 9.220287 7.581906 7.256476 8.624549 8.990175 10.602247 10.665021 10.771587 10.404799 9.020502 9.370568 6.163182 7.859809 3.822364 11.495158 10.973860 6.980611 4.555321 7.842615 6.905543 1.795055 0.000000 8.419901 7.181298 5.182480 6.061164 8.356114 3.197221 7.910555 8.115543 7.438307 9.376839 8.951551 5.982195 7.845022 4.196390 4.849177 9.283517 9.122273 2.865181 4.389167 2.176696 6.266126 5.561472 7.102425 6.799968 1.106428 8.801007 7.216858 6.451194 7.552804 8.227249 9.588260 9.824132 10.023206 9.948761 8.571462 9.194087 5.408885 6.956077 2.805758 10.040416 9.746656 6.844795 5.626214 8.173134 7.707095 1.780448 1.795733 0.000000 C19H23N5S C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.3017999999998 AuxInfo=1/0/N:11,25,9,10,8,23,24,21,22,17,16,18,20,15,19,14,12,13,7,4,5,6,3,2,1/E:(3,4)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.2,22.2,23.2/rA:48SNN2NN2N2CCCCCC3C3C3C3C3C3C3C3C3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;s2;s7;s7;s7;s8;s2s3s4;s1s2s5;s3;s14;s1;s5s16;s14;s6s15;s6s18;s15;s19;s21;s22s23;s20;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s4;s4;s18;s16;s17;s21;s22;s23;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3480167 0.1203118 0.1105981 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= 20100 NPrTT= 101169 LenC2= 17308 LenP2D= 53261. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 304 RedAO= T EigKep= 6.10D-04 NBF= 304 NBsUse= 304 1.00D-06 EigRej= -1.00D+00 NBFU= 304 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= 290 292 292 293 294 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 0 1 -1407.69320587736 -1407.66418736553 0.029018511825 -1408.00575881540 -0.341571449871 -1407.03292270977 0.972836105635 -1408.11182126836 -1.078898558597 -1408.18957547711 -0.077754208745 -1408.20335225415 -0.013776777039 -1408.20447091238 -0.001118658237 -1408.20460149391 -0.000130581525 -1408.20461070161 -0.000009207702 -1408.20451618748 0.000094514129 -1408.20452403498 -0.000007847492 -1408.20451579051 0.000008244461 -1408.20452630472 -0.000010514209 -1408.20452663058 -0.000000325860 -1408.20452663701 -0.000000006428 -1408.20452663743 -0.000000000413 -1408.20452663745 -0.000000000023 -1408.20452663763 -0.000000000181 -1408.20452664 19 1.402081847403e+03 -7.961154891330e+03 2.817202880018e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 300046 IEndB= 300046 NGot= 939524096 MDV= 939333411 LenX= 939333411 LenY= 939240554 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 48. Will process 49 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 939523308 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 760000000 NMat= 147 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 147 NMatS0= 147 NMatT0= 0 NMatD0= 147 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 1.97D-14 1.00D-09 XBig12= 7.08D+02 1.55D+01. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 1.97D-14 1.00D-09 XBig12= 2.10D+02 2.79D+00. 144 vectors produced by pass 2 Test12= 1.97D-14 1.00D-09 XBig12= 7.28D-01 6.53D-02. 144 vectors produced by pass 3 Test12= 1.97D-14 1.00D-09 XBig12= 2.69D-04 1.11D-03. 96 vectors produced by pass 4 Test12= 1.97D-14 1.00D-09 XBig12= 5.86D-08 2.89D-05. 12 vectors produced by pass 5 Test12= 1.97D-14 1.00D-09 XBig12= 8.65D-12 1.76D-07. 3 vectors produced by pass 6 Test12= 1.97D-14 1.00D-09 XBig12= 2.26D-15 3.61D-09. InvSVY: IOpt=1 It= 1 EMax= 5.33D-14 Solved reduced A of dimension 687 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 273.52 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 350.196 -17.753 261.708 -1.572 -27.826 208.659 601.944 -43.061 522.662 13.122 -101.124 425.111 (Enter /mnt/data/applications/G09/g09/l716.exe) PT9049S 2017-05-16T05:08:00.000+02:00 -88.13477 -14.05001 -14.02775 -14.01494 -13.98359 -13.97534 -10.02312 -10.01314 -9.96325 -9.95335 -9.94998 -9.94817 -9.93420 -9.92995 -9.91334 -9.90312 -9.90285 -9.90244 -9.89602 -9.89463 -9.89286 -9.89232 -9.88407 -9.88063 -9.87917 -7.73604 -5.75753 -5.75357 -5.74783 -0.93599 -0.89727 -0.85333 -0.84184 -0.80924 -0.76271 -0.74827 -0.73666 -0.71600 -0.68871 -0.67873 -0.66688 -0.66142 -0.62961 -0.62581 -0.59866 -0.57407 -0.56172 -0.55961 -0.54359 -0.53489 -0.53321 -0.50334 -0.48379 -0.47347 -0.46591 -0.45614 -0.44639 -0.43540 -0.43130 -0.41602 -0.40193 -0.40007 -0.39555 -0.38716 -0.38276 -0.37712 -0.37422 -0.37253 -0.36331 -0.35363 -0.34791 -0.34688 -0.34517 -0.34346 -0.33666 -0.33238 -0.32402 -0.31801 -0.30630 -0.30335 -0.30074 -0.29613 -0.29377 -0.28435 -0.27537 -0.27002 -0.25388 -0.24830 -0.22434 -0.21583 -0.21473 -0.19873 -0.18992 -0.18269 -0.08235 -0.06852 -0.03871 -0.03518 -0.01540 -0.01024 0.00077 0.02881 0.04836 0.06555 0.07601 0.08767 0.09697 0.10477 0.10727 0.11088 0.11393 0.11830 0.12325 0.12592 0.13046 0.13349 0.13528 0.13689 0.14180 0.15015 0.15754 0.15998 0.16217 0.16468 0.17106 0.17449 0.17696 0.18027 0.18153 0.18307 0.19574 0.19957 0.20223 0.20540 0.21426 0.21767 0.23040 0.23405 0.23879 0.24617 0.25335 0.25444 0.25901 0.26141 0.26282 0.26764 0.27018 0.27398 0.27715 0.28297 0.28502 0.28858 0.29968 0.30555 0.31421 0.31897 0.32360 0.32878 0.33596 0.33817 0.34181 0.34803 0.35007 0.35433 0.36023 0.36219 0.36519 0.36931 0.37092 0.37454 0.37844 0.38476 0.38738 0.38891 0.39510 0.40107 0.40748 0.41136 0.41787 0.42215 0.42733 0.43177 0.43758 0.44323 0.44563 0.45648 0.46827 0.47508 0.47895 0.48417 0.49141 0.49484 0.50607 0.51096 0.52429 0.52547 0.53906 0.54875 0.55829 0.56450 0.56854 0.57644 0.59197 0.59782 0.60642 0.60866 0.62741 0.63836 0.64079 0.66860 0.67562 0.68578 0.69268 0.70070 0.70637 0.71669 0.73379 0.74331 0.75653 0.76209 0.79555 0.80018 0.81587 0.82782 0.83860 0.85749 0.86962 0.87926 0.89953 0.90878 0.91959 0.92688 0.94145 0.96062 0.97482 0.97925 0.99017 1.00129 1.00926 1.01885 1.03478 1.04120 1.05758 1.06337 1.07404 1.07826 1.09656 1.10751 1.11471 1.12061 1.14474 1.14665 1.15177 1.15767 1.17081 1.18599 1.20039 1.21755 1.22199 1.24324 1.25857 1.26132 1.28323 1.29273 1.29952 1.33150 1.35412 1.39218 1.41981 1.43415 1.46806 1.48771 1.51936 1.55703 1.62342 5.10138 5.11296 5.23447 7.39111 22.31522 22.36913 22.44587 22.47295 22.49733 22.51154 22.55366 22.59245 22.60471 22.61867 22.63034 22.64304 22.64895 22.65889 22.67318 22.70189 22.70950 22.76173 22.79721 31.48158 31.49979 31.55647 31.57623 31.61743 191.64061 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 S N N N N N 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 H H 0.273697 -0.219261 -0.133901 -0.648868 -0.071223 -0.052518 0.345680 -0.412420 -0.718378 -0.751550 -0.726298 0.215895 -0.195327 0.200982 0.239160 -0.480005 -0.184554 -0.452121 -0.100371 0.150193 -0.350522 -0.329869 -0.283238 -0.233581 -0.791591 0.199893 0.268514 0.280626 0.208895 0.205645 0.230511 0.245768 0.228316 0.227665 0.227735 0.218134 0.342459 0.373692 0.250657 0.270551 0.261284 0.253821 0.259671 0.226707 0.228072 0.226707 0.251362 0.223306 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 S N N N N N C C C C C C C C C C C C C C C C C C C 0.273697 -0.219261 -0.133901 0.067283 -0.071223 -0.052518 0.345680 0.055988 -0.023212 -0.046956 -0.052764 0.215895 -0.195327 0.200982 0.239160 -0.209454 0.076730 -0.201463 -0.100371 0.150193 -0.096701 -0.070198 -0.056531 -0.005509 -0.090216 0.00000 2.03732657e+00 1.49757662e-01 -4.35679425e-01 3.50195628e+02 -1.77527633e+01 2.61707779e+02 -1.57153715e+00 -2.78258721e+01 2.08659164e+02 -16.8560 -4.8099 -0.0014 0.0011 0.0014 3.4780 16.3749 29.5236 35.9786 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 14.6158 28.2868 35.5654 43.9992 51.6384 67.5637 74.2188 95.2595 109.1669 115.1828 139.1983 161.6583 174.4872 185.0140 199.6578 214.3025 235.4522 259.1536 262.3689 272.5224 291.6739 297.9525 305.7124 322.9860 347.7497 363.2645 411.1764 417.3609 433.6055 445.7132 483.1293 489.9773 494.1394 515.4764 521.9707 529.4464 546.5641 562.2731 579.9779 600.0937 604.3612 637.3915 650.4414 667.4756 682.8121 689.8908 714.1391 725.9892 744.2896 762.8554 776.3100 789.4871 795.5726 822.9545 842.9273 872.6571 875.3542 878.6453 885.8626 905.1121 924.8029 955.0228 962.7898 987.2278 992.2785 994.0234 1001.7419 1007.2268 1021.4399 1029.3173 1044.8996 1058.2297 1061.3347 1065.6399 1110.8360 1121.0490 1146.7593 1170.9303 1175.5928 1187.8856 1189.9230 1223.6605 1243.4850 1261.8388 1273.9508 1286.8458 1295.6834 1330.9383 1334.5026 1345.8343 1367.5198 1375.9991 1385.2176 1389.7598 1390.9167 1396.2481 1411.1016 1446.0904 1457.1155 1460.2059 1461.0587 1467.1586 1467.8769 1473.2437 1478.0072 1483.0334 1490.2410 1493.8647 1496.6791 1501.3422 1542.8312 1576.3253 1597.9223 1617.9512 1641.6893 2980.0693 2980.7609 2981.9356 2993.2089 2996.6913 3057.2412 3060.1685 3070.8598 3073.6617 3084.9878 3090.1048 3102.1309 3110.9528 3115.7499 3127.9244 3144.5963 3153.1152 3163.0872 3171.3492 3202.3028 3246.6517 3410.8949 3640.0698 4.4583 5.0415 5.5994 5.1596 4.0061 1.0604 5.3814 3.5941 3.4842 3.7302 4.2164 2.5635 3.5096 1.6911 3.3938 1.5145 1.1847 3.1278 1.5648 2.6166 3.4091 4.1563 4.8050 4.4144 2.8120 3.8222 2.9088 2.9920 3.1997 5.3737 1.4094 4.2466 2.9344 3.1019 3.1118 4.1833 5.9176 4.8016 5.6779 4.5446 4.6943 5.8368 3.5666 3.4342 3.6417 1.6346 3.7347 1.4449 4.8908 1.9788 1.4773 2.9688 1.4836 4.3349 5.4135 1.9528 2.1372 1.5572 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