Gaussian 09 GINC-KIMIK2029 CBGUSER 000229976 EM64L-G09RevD.01 4-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 360.3045999999997 0 1 AuxInfo=1/0/N:10,11,26,27,22,24,23,25,18,20,19,21,16,17,8,9,14,15,12,13,6,7,4,5,2,3,1/E:(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)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.2,22.2,25.1,26.1/rA:49SO1O1NNN2N2CCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s5;s1;s1;s8;s9;s2s4s8;s3s5s9;;;s6s14;s7s15;s14;s15;s14;s15;s18;s19;s20;s21;s22s24;s23s25;s8;s9;s10;s10;s10;s11;s11;s11;s4;s5;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-29553.inp" -scrdir="/scratch/" chk=000229976.chk nprocshared=4 mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000229976 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 32 16 16 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 15.9949146 15.9949146 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 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 0 0 0 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 3 4 4 4 5 5 5 6 7 8 8 8 9 9 9 10 10 10 11 11 11 14 14 14 15 15 15 16 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 27 8 9 12 13 6 12 36 7 13 37 16 17 10 12 28 11 13 29 30 31 32 33 34 35 16 18 20 17 19 21 38 39 22 40 23 41 24 42 25 43 26 44 27 45 26 46 27 47 48 49 1.8272 1.8283 1.2183 1.2066 1.3757 1.4126 1.0275 1.3721 1.422 1.039 1.3047 1.3061 1.5113 1.5212 1.1226 1.5127 1.5341 1.1198 1.1005 1.1028 1.099 1.0974 1.1004 1.1038 1.4782 1.4064 1.4046 1.477 1.4066 1.4055 1.1007 1.103 1.3962 1.089 1.3961 1.0905 1.3974 1.0923 1.3969 1.0932 1.3995 1.0894 1.399 1.0881 1.3981 1.0895 1.3983 1.0888 1.0888 1.0877 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 8 6 6 12 7 7 13 4 5 1 1 1 10 10 12 1 1 1 11 11 13 8 8 8 30 30 31 9 9 9 33 33 34 2 2 4 3 3 5 16 16 18 17 17 19 6 6 14 7 7 15 14 14 22 15 15 23 14 14 24 15 15 25 18 18 26 19 19 27 20 20 26 21 21 27 22 22 24 23 23 25 1 4 4 4 5 5 5 6 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 26 26 26 27 27 27 9 12 36 36 13 37 37 16 17 10 12 28 12 28 28 11 13 29 13 29 29 30 31 32 31 32 32 33 34 35 34 35 35 4 8 8 5 9 9 18 20 20 19 21 21 14 38 38 15 39 39 22 40 40 23 41 41 24 42 42 25 43 43 26 44 44 27 45 45 26 46 46 27 47 47 24 48 48 25 49 49 103.8165 117.4908 121.6808 120.427 117.8806 120.9768 120.9856 119.2525 118.7874 107.0414 104.8892 110.1027 117.2305 109.8511 107.5273 108.7328 102.7265 111.2636 110.919 110.2253 112.7065 111.3311 111.0383 113.7761 106.5417 107.6398 106.1114 112.2418 111.1231 111.9257 107.451 107.5984 106.1884 123.1138 120.2327 116.5642 124.3025 123.2891 112.4079 118.6551 121.5468 119.7933 118.513 121.9413 119.5451 118.4901 126.3497 115.1597 118.7924 125.8305 115.3756 119.8862 120.3515 119.7589 120.0465 120.2254 119.7266 119.9188 119.8884 120.1928 120.0397 119.7195 120.2404 120.2387 119.7902 119.9709 120.2522 119.7483 119.9996 120.2269 119.7493 120.0238 120.2675 119.7084 120.0242 119.9353 120.0073 120.0575 119.849 120.081 120.07 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 9 9 9 8 8 8 12 36 6 6 36 36 13 37 7 7 37 37 4 4 5 5 1 1 1 12 12 12 28 28 28 1 1 10 10 28 28 1 1 1 13 13 13 29 29 29 1 1 11 11 29 29 18 18 20 20 16 16 20 20 16 16 18 18 19 19 21 21 17 17 21 21 17 17 19 19 14 14 40 40 15 15 41 41 14 14 42 42 15 15 43 43 18 18 44 44 19 19 45 45 20 20 46 46 21 21 47 47 1 1 1 1 1 1 4 4 4 4 4 4 5 5 5 5 5 5 6 6 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 8 8 8 9 9 9 6 6 12 12 12 12 7 7 13 13 13 13 16 16 17 17 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 16 16 16 16 18 18 18 18 20 20 20 20 17 17 17 17 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 26 26 26 26 27 27 27 27 10 12 28 11 13 29 16 16 2 8 2 8 17 17 3 9 3 9 14 38 15 39 30 31 32 30 31 32 30 31 32 2 4 2 4 2 4 33 34 35 33 34 35 33 34 35 3 5 3 5 3 5 6 38 6 38 22 40 22 40 24 42 24 42 7 39 7 39 23 41 23 41 25 43 25 43 26 44 26 44 27 45 27 45 26 46 26 46 27 47 27 47 24 48 24 48 25 49 25 49 22 48 22 48 23 49 23 49 -177.5398 57.2409 -58.1728 125.7441 -116.6684 4.1642 176.4731 3.7186 -0.6298 -177.1951 172.22 -4.3452 173.0147 -2.4744 3.2306 -176.5096 178.7193 -1.0209 178.1805 -2.0816 179.0117 -1.4725 -171.1075 70.3582 -49.2688 -53.7214 -172.2557 68.1173 69.3636 -49.1707 -168.7977 -90.0028 86.6675 151.4513 -31.8784 27.1864 -156.1433 -58.7861 -179.1389 62.3266 -171.0368 68.6104 -49.9242 63.4258 -56.927 -175.4616 -81.4035 98.3397 34.6241 -145.6327 158.7594 -21.4974 155.8552 -23.9116 -24.9334 155.2998 179.0694 -1.5986 -0.1562 179.1759 -178.9392 1.0622 0.2634 -179.7353 169.7744 -9.7911 -10.4921 169.9425 179.6886 -0.7645 -0.0514 179.4955 -179.6334 0.5844 0.0975 -179.6847 -0.1112 179.751 -179.4472 0.415 -0.0679 179.9623 -179.6171 0.4131 -0.1037 179.8188 179.895 -0.1826 -0.0244 179.9659 179.7566 -0.253 0.2717 -179.7141 -179.5903 0.4239 0.1413 -179.8394 -179.889 0.1303 -0.1638 179.822 179.914 -0.1002 -0.095 179.8857 179.9146 -0.1046 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 249 294 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 49 49 49 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= 22155 NPrTT= 112260 LenC2= 18502 LenP2D= 55930. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 322 RedAO= T EigKep= 8.27D-04 NBF= 322 NBsUse= 322 1.00D-06 EigRej= -1.00D+00 NBFU= 322 Using GEDIIS/GDIIS optimizer. local minimum Step number 47 out of a maximum of 249 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00335 0.00455 0.00543 0.00611 0.00668 0.00876 0.01049 0.01283 0.01435 0.01519 0.01571 0.01673 0.01737 0.01752 0.01980 0.02022 0.02046 0.02051 0.02067 0.02077 0.02094 0.02105 0.02105 0.02108 0.02110 0.02113 0.02115 0.02119 0.02123 0.02130 0.02345 0.02568 0.02778 0.02933 0.03217 0.03565 0.04150 0.04389 0.04541 0.05190 0.05512 0.05555 0.05711 0.05844 0.05896 0.06813 0.08309 0.09346 0.14254 0.14926 0.15522 0.15831 0.15952 0.15973 0.15983 0.15994 0.15996 0.15998 0.15999 0.16000 0.16000 0.16001 0.16006 0.16015 0.16021 0.16046 0.16074 0.16292 0.16869 0.18324 0.19418 0.20217 0.20836 0.21803 0.21944 0.21983 0.21998 0.22024 0.22080 0.22129 0.23333 0.23473 0.23506 0.24089 0.24615 0.24810 0.24935 0.24969 0.25250 0.26538 0.28733 0.29774 0.30723 0.30918 0.31374 0.31706 0.31926 0.33252 0.33372 0.33383 0.33565 0.33629 0.33645 0.33780 0.33948 0.34447 0.34577 0.34589 0.34760 0.34883 0.34900 0.34934 0.34949 0.34999 0.35030 0.35095 0.35438 0.40239 0.41314 0.41379 0.41560 0.41594 0.41687 0.43106 0.43262 0.44760 0.44959 0.45248 0.45360 0.45824 0.45939 0.46196 0.48495 0.51222 0.52177 0.65609 0.65922 0.69109 0.83440 0.98217 2.20358 RFO step: Lambda=-6.25170297D-08. 1 2 3 0.00162990 0.00000131 0.00000000 0.00000074 0.00000006 0.00000006 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 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 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 3.63906 3.66728 2.40433 2.37966 2.63024 2.62224 1.94795 2.61779 2.64117 1.96995 2.49054 2.49458 2.90733 2.88831 2.08230 2.89781 2.92033 2.08650 2.08954 2.08387 2.09198 2.08394 2.09004 2.08341 2.77169 2.68831 2.69176 2.77466 2.68940 2.69322 2.09849 2.09373 2.66591 2.07408 2.66779 2.07531 2.65892 2.06726 2.66012 2.06876 2.67298 2.06996 2.67289 2.07140 2.67925 2.07018 2.68016 2.07090 2.07039 2.07081 1.77283 2.10782 2.09925 2.07120 2.11201 2.09479 2.06830 2.02911 2.02265 1.87457 1.87269 1.85899 2.05702 1.92868 1.86213 1.90127 1.90307 1.82135 1.94288 1.95345 1.93707 1.93306 1.91288 1.96627 1.88790 1.89919 1.86169 1.93540 1.91516 1.92586 1.90276 1.91047 1.87299 2.15098 2.10545 2.02486 2.18393 2.13477 1.96441 2.07854 2.12363 2.08085 2.07929 2.12697 2.07691 2.11997 2.13075 2.03241 2.11092 2.13188 2.04039 2.10180 2.08885 2.09254 2.10489 2.08444 2.09378 2.09745 2.07436 2.11114 2.09790 2.06667 2.11862 2.09413 2.09333 2.09571 2.09492 2.09296 2.09528 2.09941 2.08608 2.09754 2.10283 2.08979 2.09057 2.09267 2.09503 2.09543 2.08892 2.09730 2.09696 -2.83609 1.21957 -0.76940 2.20915 -1.95055 0.12021 -3.10821 0.14112 0.13772 -2.93809 -3.10991 0.09746 3.07433 0.07103 0.03922 -3.11505 3.04457 -0.10970 -3.08081 0.04852 3.13440 -0.01051 -3.07241 1.12913 -0.94068 -0.95695 -3.03859 1.17478 1.18967 -0.89197 -2.96179 -1.48183 1.59582 2.68492 -0.52061 0.50502 -2.70051 -0.98511 -3.08816 1.13472 -3.08421 1.09592 -0.96439 1.01984 -1.08321 3.13967 -1.57036 1.58350 0.52768 -2.60164 2.71596 -0.41335 -3.02037 0.13283 0.14106 -2.98893 -3.13255 0.01128 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0.00002 -0.00002 -0.00003 -0.00004 0.00003 0.00007 -0.00001 0.00002 -0.00009 0.00002 0.00002 0.00003 -0.00001 -0.00016 -0.00006 0.00021 0.00005 -0.00010 0.00006 0.00005 -0.00006 0.00001 -0.00001 0.00000 0.00002 -0.00017 0.00005 0.00012 -0.00006 0.00001 0.00006 0.00000 0.00001 -0.00001 -0.00002 -0.00002 0.00004 -0.00002 0.00008 -0.00007 0.00000 -0.00002 0.00002 0.00001 0.00000 -0.00001 0.00001 -0.00002 0.00001 -0.00001 -0.00004 0.00005 -0.00002 0.00001 0.00000 0.00000 -0.00002 0.00002 0.00001 0.00000 -0.00001 0.00120 0.00103 0.00112 -0.00026 -0.00015 -0.00021 0.00082 0.00101 0.00033 0.00064 0.00014 0.00045 0.00000 -0.00018 -0.00007 0.00042 0.00010 0.00059 -0.00003 0.00028 0.00028 -0.00042 0.00016 0.00015 0.00021 0.00033 0.00032 0.00038 0.00040 0.00039 0.00045 0.00047 0.00016 0.00040 0.00010 0.00030 -0.00001 0.00069 0.00071 0.00076 0.00066 0.00068 0.00073 0.00057 0.00059 0.00064 -0.00025 -0.00072 -0.00017 -0.00065 -0.00010 -0.00057 0.00105 0.00076 0.00105 0.00077 -0.00004 -0.00010 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0.00005 -0.00003 0.00004 -0.00002 -0.00003 -0.00004 0.00003 0.00007 0.00000 0.00001 -0.00008 0.00002 0.00002 0.00004 -0.00001 -0.00016 -0.00010 0.00025 0.00003 -0.00012 0.00010 0.00006 -0.00007 0.00001 -0.00001 -0.00001 0.00001 -0.00017 0.00004 0.00013 -0.00004 -0.00001 0.00004 0.00000 0.00001 -0.00001 -0.00001 -0.00002 0.00003 -0.00002 0.00007 -0.00005 0.00000 -0.00002 0.00002 0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00002 -0.00002 0.00001 0.00000 0.00001 -0.00002 0.00001 0.00001 0.00000 -0.00001 0.00118 0.00101 0.00110 -0.00032 -0.00024 -0.00025 0.00079 0.00091 0.00028 0.00060 0.00017 0.00049 -0.00011 -0.00014 -0.00011 0.00040 -0.00009 0.00042 0.00003 0.00022 0.00027 -0.00037 0.00016 0.00016 0.00020 0.00038 0.00037 0.00042 0.00038 0.00037 0.00042 0.00043 0.00012 0.00039 0.00008 0.00032 0.00000 0.00057 0.00059 0.00064 0.00052 0.00054 0.00059 0.00045 0.00047 0.00052 -0.00009 -0.00058 -0.00001 -0.00051 0.00002 -0.00047 0.00091 0.00073 0.00099 0.00081 0.00004 -0.00004 -0.00004 -0.00012 0.00001 0.00014 0.00009 0.00022 -0.00006 0.00055 -0.00007 0.00054 0.00003 0.00004 0.00004 0.00005 0.00005 -0.00005 0.00004 -0.00006 -0.00005 -0.00007 0.00004 0.00002 -0.00008 -0.00007 -0.00010 -0.00008 -0.00007 -0.00019 -0.00020 -0.00032 -0.00007 -0.00006 0.00003 0.00004 0.00008 0.00010 0.00010 0.00012 0.00005 0.00002 0.00003 0.00000 -0.00002 -0.00004 0.00010 0.00008 0.00003 0.00006 0.00002 0.00005 3.63912 3.66729 2.40429 2.37969 2.63038 2.62219 1.94792 2.61780 2.64102 1.97001 2.49053 2.49461 2.90733 2.88830 2.08235 2.89781 2.92039 2.08654 2.08953 2.08387 2.09197 2.08393 2.09002 2.08340 2.77175 2.68830 2.69177 2.77463 2.68939 2.69323 2.09847 2.09370 2.66588 2.07407 2.66778 2.07528 2.65899 2.06729 2.66012 2.06877 2.67299 2.06996 2.67287 2.07138 2.67921 2.07018 2.68016 2.07090 2.07039 2.07080 1.77284 2.10759 2.09938 2.07130 2.11198 2.09478 2.06835 2.02920 2.02265 1.87443 1.87288 1.85885 2.05713 1.92873 1.86203 1.90131 1.90307 1.82125 1.94294 1.95342 1.93711 1.93304 1.91284 1.96623 1.88793 1.89926 1.86169 1.93541 1.91508 1.92588 1.90279 1.91051 1.87298 2.15082 2.10534 2.02511 2.18396 2.13465 1.96451 2.07859 2.12356 2.08086 2.07929 2.12697 2.07692 2.11980 2.13079 2.03254 2.11087 2.13187 2.04043 2.10180 2.08885 2.09253 2.10488 2.08442 2.09381 2.09743 2.07443 2.11109 2.09790 2.06665 2.11864 2.09414 2.09332 2.09570 2.09493 2.09294 2.09528 2.09940 2.08607 2.09756 2.10281 2.08980 2.09057 2.09268 2.09501 2.09545 2.08893 2.09730 2.09695 -2.83491 1.22058 -0.76830 2.20883 -1.95079 0.11996 -3.10742 0.14203 0.13800 -2.93749 -3.10974 0.09795 3.07422 0.07089 0.03911 -3.11466 3.04448 -0.10929 -3.08079 0.04874 3.13467 -0.01088 -3.07225 1.12929 -0.94048 -0.95658 -3.03822 1.17520 1.19005 -0.89160 -2.96136 -1.48140 1.59594 2.68531 -0.52054 0.50534 -2.70051 -0.98453 -3.08757 1.13536 -3.08369 1.09646 -0.96380 1.02030 -1.08274 3.14019 -1.57045 1.58292 0.52767 -2.60215 2.71599 -0.41383 -3.01946 0.13356 0.14205 -2.98812 -3.13251 0.01124 -0.01034 3.13341 3.12427 0.00586 0.00263 -3.11578 -3.11205 0.03330 0.03410 -3.10374 -3.13969 0.01524 -0.00252 -3.13077 3.13710 -0.00387 0.00005 -3.14092 0.00937 -3.13863 -3.13438 0.00080 0.00371 -3.12901 3.13189 -0.00083 0.00603 -3.11712 3.12395 0.00080 0.00123 -3.14159 -3.14101 -0.00064 -0.00065 3.13024 -3.13582 -0.00493 -0.00240 -3.14067 3.13031 -0.00797 -0.00706 -3.13794 3.11596 -0.01492 -0.00006 3.13822 -3.14042 -0.00215 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000050 0.000010 0.007884 0.001630 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.374837e-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 3 4 4 4 5 5 5 6 7 8 8 8 9 9 9 10 10 10 11 11 11 14 14 14 15 15 15 16 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 27 8 9 12 13 6 12 36 7 13 37 16 17 10 12 28 11 13 29 30 31 32 33 34 35 16 18 20 17 19 21 38 39 22 40 23 41 24 42 25 43 26 44 27 45 26 46 27 47 48 49 1.9257 1.9406 1.2723 1.2593 1.3919 1.3876 1.0308 1.3853 1.3976 1.0425 1.3179 1.3201 1.5385 1.5284 1.1019 1.5335 1.5454 1.1041 1.1057 1.1027 1.107 1.1028 1.106 1.1025 1.4667 1.4226 1.4244 1.4683 1.4232 1.4252 1.1105 1.108 1.4107 1.0976 1.4117 1.0982 1.407 1.0939 1.4077 1.0947 1.4145 1.0954 1.4144 1.0961 1.4178 1.0955 1.4183 1.0959 1.0956 1.0958 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 8 6 6 12 7 7 13 4 5 1 1 1 10 10 12 1 1 1 11 11 13 8 8 8 30 30 31 9 9 9 33 33 34 2 2 4 3 3 5 16 16 18 17 17 19 6 6 14 7 7 15 14 14 22 15 15 23 14 14 24 15 15 25 18 18 26 19 19 27 20 20 26 21 21 27 22 22 24 23 23 25 1 4 4 4 5 5 5 6 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 26 26 26 27 27 27 9 12 36 36 13 37 37 16 17 10 12 28 12 28 28 11 13 29 13 29 29 30 31 32 31 32 32 33 34 35 34 35 35 4 8 8 5 9 9 18 20 20 19 21 21 14 38 38 15 39 39 22 40 40 23 41 41 24 42 42 25 43 43 26 44 44 27 45 45 26 46 46 27 47 47 24 48 48 25 49 49 101.5757 120.7689 120.2784 118.6713 121.0093 120.0226 118.5051 116.2597 115.8892 107.4051 107.297 106.5123 117.8588 110.5051 106.692 108.935 109.0381 104.3558 111.319 111.9245 110.9861 110.7561 109.5998 112.659 108.1685 108.8159 106.6669 110.8902 109.7307 110.3438 109.0204 109.4617 107.3143 123.2422 120.6333 116.0161 125.13 122.3132 112.5526 119.0914 121.675 119.2239 119.1347 121.8666 118.9982 121.4654 122.0828 116.4484 120.9465 122.1477 116.9055 120.4243 119.682 119.8935 120.6014 119.4297 119.9646 120.175 118.8523 120.9592 120.2005 118.4115 121.3879 119.9848 119.9388 120.0753 120.03 119.9176 120.0504 120.2872 119.5239 120.1804 120.4833 119.7359 119.7808 119.9012 120.0365 120.0595 119.6863 120.1666 120.1468 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 9 9 9 8 8 8 12 36 6 6 36 36 13 37 7 7 37 37 4 4 5 5 1 1 1 12 12 12 28 28 28 1 1 10 10 28 28 1 1 1 13 13 13 29 29 29 1 1 11 11 29 29 18 18 20 20 16 16 20 20 16 16 18 18 19 19 21 21 17 17 21 21 17 17 19 19 14 14 40 40 15 15 41 41 14 14 42 42 15 15 43 43 18 18 44 44 19 19 45 45 20 20 46 46 21 21 47 1 1 1 1 1 1 4 4 4 4 4 4 5 5 5 5 5 5 6 6 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 15 15 15 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 8 8 8 9 9 9 6 6 12 12 12 12 7 7 13 13 13 13 16 16 17 17 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 16 16 16 16 18 18 18 18 20 20 20 20 17 17 17 17 19 19 19 19 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 26 26 26 26 27 27 27 10 12 28 11 13 29 16 16 2 8 2 8 17 17 3 9 3 9 14 38 15 39 30 31 32 30 31 32 30 31 32 2 4 2 4 2 4 33 34 35 33 34 35 33 34 35 3 5 3 5 3 5 6 38 6 38 22 40 22 40 24 42 24 42 7 39 7 39 23 41 23 41 25 43 25 43 26 44 26 44 27 45 27 45 26 46 26 46 27 47 27 47 24 48 24 48 25 49 25 49 22 48 22 48 23 49 23 -162.4958 69.8762 -44.0831 126.5749 -111.7582 6.8875 -178.0873 8.0858 7.8906 -168.3402 -178.1849 5.5842 176.1462 4.0698 2.2473 -178.4794 174.4411 -6.2855 -176.5177 2.78 179.588 -0.602 -176.0362 64.6946 -53.897 -54.8293 -174.0985 67.3099 68.1629 -51.1063 -169.6978 -84.9029 91.4336 153.8345 -29.8289 28.9355 -154.728 -56.4424 -176.9385 65.0146 -176.7123 62.7916 -55.2553 58.4327 -62.0634 179.8898 -89.9751 90.7281 30.234 -149.0628 155.6133 -23.6835 -173.0543 7.6104 8.0823 -171.253 -179.4821 0.6462 -0.5905 179.5378 179.0071 0.3279 0.1452 -178.534 -178.3039 1.8765 1.9575 -177.8621 -179.8927 0.871 -0.1465 -179.3829 179.7397 -0.2189 0.0008 -179.9578 0.5398 -179.8264 -179.5888 0.0449 0.2171 -179.2753 179.4494 -0.043 0.3493 -178.5871 179.0002 0.0639 0.0743 -179.9965 -179.9683 -0.0391 -0.0413 179.3437 -179.6746 -0.2895 -0.1404 -179.9484 179.3513 -0.4566 -0.4036 -179.7886 178.5257 -0.8593 -0.0048 179.8032 -179.934 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 360.3045999999997 AuxInfo=1/0/N:10,11,26,27,22,24,23,25,18,20,19,21,16,17,8,9,14,15,12,13,6,7,4,5,2,3,1/E:(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)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.2,22.2,25.1,26.1/rA:49SO1O1NNN2N2CCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s5;s1;s1;s8;s9;s2s4s8;s3s5s9;;;s6s14;s7s15;s14;s15;s14;s15;s18;s19;s20;s21;s22s24;s23s25;s8;s9;s10;s10;s10;s11;s11;s11;s4;s5;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.317798 0.000000 3.227287 4.730619 0.000000 3.366364 2.315217 4.993543 0.000000 3.425432 2.988520 2.326311 3.558710 0.000000 4.502819 2.720636 5.429670 1.375725 3.594524 0.000000 4.531130 4.093566 2.752770 4.203614 1.372069 3.895259 0.000000 1.827157 2.380064 4.719202 2.496340 4.032739 3.754938 5.192991 0.000000 1.828292 3.052573 2.416863 4.052685 2.457328 4.806268 3.732280 2.876925 0.000000 2.690920 3.658699 5.762469 2.934236 5.278626 4.290773 6.289132 1.511301 4.206182 0.000000 2.721637 4.406440 2.855952 5.516363 3.692678 6.318096 4.839987 3.966732 1.512697 5.158842 0.000000 2.661019 1.218299 4.636764 1.412647 3.242340 2.383773 4.277955 1.521224 3.088020 2.588839 4.490269 0.000000 2.632833 3.549865 1.206606 4.101928 1.421960 4.543593 2.393588 3.813670 1.534080 5.025820 2.509738 3.578101 0.000000 6.719663 4.935446 6.969964 3.665954 5.117410 2.393149 4.779883 6.130323 6.911641 6.502795 8.408224 4.774181 6.286429 0.000000 6.736435 5.750295 4.984368 5.474069 3.661592 4.614879 2.397074 7.139948 6.098348 8.068803 7.229144 5.963654 4.787290 4.200672 0.000000 5.419763 4.023064 6.107872 2.312785 4.435618 1.304679 4.382882 4.807177 5.866603 5.074887 7.367995 3.580179 5.397522 1.478202 4.537524 0.000000 5.454652 4.306083 4.054017 4.287743 2.305348 3.563630 1.306147 5.769300 4.755955 6.803357 5.972887 4.585976 3.585257 3.879822 1.477020 3.857536 0.000000 7.646740 6.223577 7.589244 4.771594 5.966014 3.622290 5.361305 7.248067 7.895315 7.514005 9.359088 5.977980 7.087841 1.406374 4.286653 2.481289 4.419728 0.000000 7.753525 6.360396 6.320225 5.940878 4.780182 4.838781 3.652050 7.904775 7.221202 8.741488 8.443446 6.592044 6.018456 3.732726 1.406603 4.513181 2.478633 3.590063 0.000000 7.286487 4.908512 7.519794 4.237004 5.409276 2.880619 5.160770 6.531078 7.229448 7.072087 8.708630 5.058720 6.706294 1.404583 4.500447 2.516052 4.115473 2.431822 3.867335 0.000000 7.200398 6.750150 4.913550 6.457747 4.226250 5.772092 2.858078 7.906399 6.513930 8.826442 7.447308 6.899522 5.050550 5.443779 1.405473 5.670162 2.520609 5.343166 2.429728 5.868772 0.000000 8.917392 7.257297 8.627899 6.038128 6.924758 4.792955 6.192635 8.505349 9.011203 8.838827 10.459852 7.162196 8.140188 2.425738 4.659171 3.766903 5.084163 1.396229 3.590179 2.799999 5.681658 0.000000 9.001697 7.752132 7.357277 7.222167 6.046515 6.115349 4.818551 9.231847 8.488794 10.010809 9.653952 7.945856 7.203422 4.706515 2.427784 5.621537 3.765878 4.191425 1.396099 4.877062 2.798719 3.832002 0.000000 8.613461 6.173125 8.569377 5.628211 6.455525 4.263814 6.022933 7.907165 8.438330 8.468959 9.886597 6.419563 7.813780 2.425595 4.858159 3.790811 4.825514 2.800376 3.868514 1.397396 6.178899 2.422039 4.570871 0.000000 8.532558 8.074477 6.196291 7.652296 5.621087 6.875657 4.251289 9.234091 7.898856 10.085755 8.799945 8.202600 6.420569 6.148370 2.427374 6.584116 3.793980 5.760037 2.798383 6.573106 1.396852 5.831707 2.420742 6.635032 0.000000 9.350691 7.239014 9.078636 6.398942 7.144585 5.052718 6.493257 8.796845 9.257473 9.262763 10.703286 7.353752 8.469434 2.801824 4.935169 4.279612 5.269216 2.424106 3.735443 2.423744 6.093821 1.399531 4.045643 1.398112 6.282130 0.000000 9.350995 8.515605 7.308086 7.989973 6.401299 7.026081 5.061795 9.832747 8.788818 10.627348 9.815319 8.666229 7.378536 5.840199 2.805251 6.567010 4.281822 5.265866 2.423736 6.158526 2.423944 5.024948 1.399045 5.952189 1.398318 5.396682 0.000000 2.451268 2.522639 5.251550 3.379601 4.545781 4.507252 5.821662 1.122597 3.051196 2.167141 3.885805 2.145447 4.283883 6.896021 7.832298 5.661365 6.400190 8.099861 8.598580 7.113066 8.623027 9.298146 9.960147 8.457370 9.981980 9.458870 10.588867 0.000000 2.466079 2.306243 3.306988 3.900916 2.561290 4.540301 3.928527 2.770671 1.119795 4.257856 2.171038 2.717715 2.221162 6.689344 6.162849 5.732040 4.730107 7.804647 7.161317 6.804554 6.766495 8.856433 8.491457 7.994744 8.163104 8.944376 8.935219 2.674702 0.000000 3.691789 3.824474 6.670748 3.039840 5.889648 4.264015 6.866084 2.169120 5.035594 1.100487 6.058482 2.835404 5.842342 6.366043 8.459930 5.000287 7.204980 7.429634 8.980689 6.840413 9.343995 8.711901 10.255289 8.218029 10.574670 9.061045 10.992002 2.580660 4.894208 0.000000 2.978096 4.482468 6.184174 4.017304 6.014257 5.380037 7.088396 2.167230 4.548315 1.102815 5.210368 3.524944 5.543599 7.601441 8.997284 6.166755 7.717187 8.592718 9.742565 8.167963 9.675579 9.927359 11.009242 9.564670 10.951193 10.364551 11.566629 2.447457 4.682962 1.765884 0.000000 2.823072 4.166569 5.618054 2.852300 5.291545 4.180218 6.122007 2.197958 4.504147 1.098982 5.508758 2.975208 5.037538 6.201836 7.777126 4.727811 6.634294 7.053716 8.442871 6.970620 8.459905 8.423528 9.637979 8.355419 9.653857 9.001244 10.193940 3.108804 4.751706 1.775335 1.759722 0.000000 2.921186 4.658018 3.892984 5.850184 4.572090 6.783909 5.802383 3.899511 2.179307 4.979969 1.097442 4.699404 3.477152 9.004499 8.188935 7.890177 6.874930 10.027387 9.351971 9.272689 8.483148 11.165307 10.601773 10.497534 9.847453 11.382778 10.827217 3.576116 2.557575 5.844443 4.836335 5.482471 0.000000 3.719953 4.796779 3.148303 6.180954 3.854605 6.815255 4.919959 4.814137 2.167722 6.112788 1.100447 5.122593 2.840960 8.793891 7.232677 7.890084 6.020831 9.750721 8.461681 8.968043 7.399995 10.756508 9.644324 10.057568 8.731775 10.900575 9.767269 4.635472 2.500804 6.947623 6.214664 6.501631 1.771921 0.000000 2.951242 5.220496 2.575939 5.979524 4.082230 6.811279 5.038224 4.527415 2.180266 5.532462 1.103793 5.131931 2.706717 8.811862 7.402818 7.740215 6.273117 9.641407 8.688460 9.251607 7.439200 10.769920 9.818166 10.425965 8.736983 11.132827 9.843277 4.623317 3.105305 6.528716 5.515527 5.704526 1.776295 1.762564 0.000000 3.350454 3.220352 5.179133 1.027548 4.138677 2.105542 4.693736 2.657381 4.429964 2.607672 5.811755 2.126426 4.459886 4.039133 5.939890 2.567339 4.875649 4.940614 6.426407 4.852613 6.804434 6.291379 7.624474 6.223913 7.945489 6.839250 8.312686 3.690233 4.491093 2.791483 3.662938 2.174941 6.110984 6.597606 6.123304 0.000000 3.508586 2.086857 3.242669 3.085332 1.038959 3.052711 2.104619 3.631382 2.595878 4.948560 3.954438 2.605294 2.150014 4.759198 4.020779 4.089041 2.548858 5.798095 4.917937 4.861652 4.845389 6.741135 6.270503 5.960399 6.214551 6.815267 6.824850 4.030269 2.265771 5.407373 5.747641 5.115781 4.663395 4.116512 4.563908 3.863797 0.000000 5.538753 4.734860 6.368279 2.648249 5.025466 2.148489 4.938182 5.024182 6.268752 5.004137 7.728318 4.048638 5.794319 2.186328 5.111919 1.100684 4.562172 2.671135 5.125346 3.432209 6.082134 4.050106 6.096194 4.586565 6.918060 4.834130 6.927851 5.987651 6.288433 4.952986 6.052280 4.447554 8.226263 8.357386 7.981138 2.452103 4.823780 0.000000 5.582662 3.776419 4.747946 3.895264 2.630840 2.963000 2.146973 5.543951 4.931979 6.580082 6.252919 4.189100 4.038748 3.262451 2.189676 3.365804 1.103040 4.058921 2.638898 3.222762 3.465585 4.689456 4.030605 3.993234 4.612734 4.665165 4.840222 6.100893 4.674190 6.828574 7.551674 6.516675 7.045699 6.314544 6.711957 4.635586 2.413755 4.263173 0.000000 7.525852 6.577130 7.458564 4.857663 6.118691 3.927962 5.476975 7.277636 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-2454.9485 -1986.5002 -874.7584 195.4545 54.0292 -26.6450 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 360.3045999999997 AuxInfo=1/0/N:10,11,26,27,22,24,23,25,18,20,19,21,16,17,8,9,14,15,12,13,6,7,4,5,2,3,1/E:(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)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.2,22.2,25.1,26.1/rA:49SO1O1NNN2N2CCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s5;s1;s1;s8;s9;s2s4s8;s3s5s9;;;s6s14;s7s15;s14;s15;s14;s15;s18;s19;s20;s21;s22s24;s23s25;s8;s9;s10;s10;s10;s11;s11;s11;s4;s5;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.432195 0.000000 3.553530 4.771767 0.000000 3.520292 2.340928 5.623557 0.000000 3.529851 2.798876 2.358960 4.119994 0.000000 4.600458 2.804538 5.956564 1.391863 4.213974 0.000000 4.715475 3.754449 2.840627 4.795448 1.385272 4.497587 0.000000 1.925710 2.436522 5.005746 2.474298 4.052939 3.769328 5.256888 0.000000 1.940642 3.290573 2.460572 4.468782 2.449158 5.249265 3.761121 2.995705 0.000000 2.801386 3.755849 6.242458 2.935814 5.491151 4.323953 6.620124 1.538495 4.335393 0.000000 2.837057 4.737375 2.872723 5.907310 3.719379 6.760991 4.904559 4.111288 1.533454 5.238892 0.000000 2.791896 1.272319 4.967930 1.387630 3.403089 2.416383 4.387131 1.528426 3.391968 2.626922 4.813630 0.000000 2.847949 3.550711 1.259261 4.648901 1.397649 5.052636 2.422250 3.968849 1.545375 5.332098 2.542198 3.840852 0.000000 6.782127 5.124961 7.636693 3.677913 6.019972 2.430274 5.801043 6.135613 7.454734 6.455648 8.955616 4.844573 6.957737 0.000000 6.890261 5.129031 5.162832 5.896485 3.668763 5.034740 2.427323 7.078307 6.115669 8.334590 7.309095 5.857133 4.847064 5.399898 0.000000 5.528913 4.111991 6.914997 2.301620 5.353375 1.317937 5.463473 4.766303 6.396356 4.995199 7.879059 3.583826 6.138241 1.466713 5.679296 0.000000 5.544154 3.750947 4.150387 4.770218 2.293138 4.150161 1.320074 5.685977 4.729902 7.008253 5.992859 4.526732 3.588264 5.154187 1.468286 5.054020 0.000000 7.899250 6.463666 8.875819 4.789017 7.389783 3.699326 7.135680 7.246799 8.739807 7.341686 10.217479 6.063394 8.263136 1.422592 6.601174 2.490780 6.499718 0.000000 7.899549 5.652382 6.513612 6.352563 4.783547 5.295645 3.702204 7.798708 7.207713 8.990786 8.474920 6.431957 6.071505 5.260423 1.423171 5.801612 2.493192 6.363031 0.000000 7.138578 5.131315 7.379638 4.292532 5.629365 2.908611 5.147039 6.610877 7.449510 7.215274 8.952848 5.187565 6.738632 1.424418 4.256204 2.524739 4.277730 2.455886 3.928662 0.000000 7.435569 6.228691 5.153706 6.860705 4.284340 6.056751 2.900871 7.938326 6.628772 9.178089 7.656952 6.850703 5.186111 6.258977 1.425192 6.592414 2.529145 7.342129 2.454210 5.158152 0.000000 9.134598 7.556017 9.757821 6.083244 8.262164 4.884827 7.806875 8.548929 9.839530 8.723849 11.322140 7.294984 9.216512 2.458972 6.855324 3.789961 7.043819 1.410738 6.414387 2.832578 7.495137 0.000000 9.203749 7.051689 7.605355 7.609707 6.078570 6.467434 4.887447 9.164211 8.522667 10.317590 9.745404 7.789585 7.303042 6.007254 2.462513 6.786777 3.794583 6.903125 1.411736 4.603102 2.832915 6.669813 0.000000 8.479990 6.451747 8.414505 5.696542 6.730458 4.313194 6.039920 8.013198 8.709546 8.613400 10.191195 6.582005 7.874239 2.454289 4.639516 3.807158 5.064662 2.826314 4.013286 1.407040 5.371048 2.451603 4.247959 0.000000 8.803697 7.515081 6.475735 8.031893 5.688933 7.096775 4.307005 9.277356 8.034578 10.475112 9.039588 8.132275 6.581211 6.891093 2.455827 7.466724 3.811621 7.807749 2.823361 5.680926 1.407677 7.708090 2.449311 5.541257 0.000000 9.394237 7.553761 9.553598 6.465294 7.977897 5.132931 7.331946 8.887421 9.828940 9.290198 11.313160 7.519303 9.047200 2.838077 5.998519 4.304447 6.429619 2.446522 5.381350 2.449920 6.607265 1.414478 5.447730 1.417799 6.654708 0.000000 9.609889 7.878084 7.593655 8.369718 6.461604 7.282784 5.133814 9.833620 8.889683 10.999917 10.000948 8.552002 7.525371 6.783793 2.844079 7.559684 4.312039 7.609581 2.447902 5.442937 2.453291 7.322682 1.414430 5.034518 1.418277 6.110130 0.000000 2.475635 2.550725 5.268456 3.327095 4.267221 4.525246 5.568526 1.101908 2.958549 2.183769 3.883996 2.125505 4.163648 6.942420 7.434485 5.619307 5.990714 8.104799 8.128134 7.305476 8.347834 9.377861 9.526914 8.693609 9.709254 9.641068 10.245245 0.000000 2.459215 2.636249 3.320623 4.266011 2.535047 5.043768 3.911343 2.731429 1.104128 4.196368 2.198854 2.994083 2.197605 7.352787 6.087721 6.285683 4.639520 8.680127 7.025914 7.312778 6.803188 9.783269 8.394287 8.590442 8.203942 9.746520 8.917758 2.388139 0.000000 3.810310 3.930822 7.131278 3.045702 6.098903 4.346302 7.184955 2.189835 5.161686 1.105737 6.127339 2.877375 6.132140 6.381388 8.693336 4.938267 7.396041 7.197878 9.192742 7.203435 9.655294 8.581326 10.514219 8.582626 10.914501 9.199004 11.311867 2.589570 4.835206 0.000000 2.999377 4.558620 6.538437 4.010797 6.084497 5.402280 7.298672 2.172834 4.515294 1.102737 5.111956 3.546269 5.709137 7.540676 9.177528 6.080123 7.810853 8.407863 9.908216 8.291297 9.963874 9.795108 11.250948 9.690759 11.294224 10.373934 11.890650 2.462163 4.441344 1.788601 0.000000 2.943576 4.243568 6.285657 2.852367 5.694282 4.159940 6.690499 2.214664 4.726218 1.107026 5.663187 2.997113 5.511250 6.049046 8.331680 4.598252 7.096865 6.812070 9.013548 6.932174 9.081326 8.204801 10.278204 8.299315 10.331619 8.866118 10.884928 3.116180 4.792295 1.799378 1.772507 0.000000 2.979163 5.035246 3.938433 6.135660 4.571800 7.148326 5.843403 4.007706 2.184854 4.942990 1.102776 4.989605 3.505467 9.441433 8.221239 8.259027 6.850122 10.671638 9.321567 9.554996 8.659318 11.847579 10.632796 10.848524 10.053527 11.930653 10.966322 3.614731 2.544876 5.797858 4.612277 5.484678 0.000000 3.834592 5.134576 3.047970 6.615353 3.853040 7.348966 4.927363 4.927334 2.172522 6.164680 1.105999 5.454273 2.807163 9.513513 7.256856 8.526477 5.998799 10.829381 8.417049 9.361857 7.568484 11.867543 9.654299 10.541948 8.921151 11.740230 9.883157 4.567075 2.551872 6.978603 6.072113 6.654164 1.798427 0.000000 3.052806 5.456985 2.620266 6.326870 4.112464 7.150217 5.134385 4.682215 2.177721 5.666975 1.102492 5.399269 2.754662 9.212467 7.557269 8.167605 6.337422 10.417024 8.814757 9.237887 7.722775 11.502374 10.018997 10.441242 9.070090 11.516114 10.137142 4.657362 3.107989 6.652817 5.507453 5.906309 1.800488 1.778908 0.000000 3.569423 3.244808 6.080070 1.030808 4.886320 2.108708 5.589798 2.597622 4.902209 2.508699 6.229593 2.088212 5.204624 3.977430 6.757340 2.515869 5.669745 4.858459 7.246509 4.848698 7.627731 6.230826 8.456974 6.218168 8.779111 6.811134 9.158086 3.583729 4.825604 2.640015 3.576057 2.116075 6.359252 7.055615 6.550189 0.000000 3.431392 1.805993 3.262069 3.479341 1.042453 3.639624 2.109681 3.443059 2.542899 4.915980 3.963066 2.618406 2.104943 5.653275 3.968402 4.888135 2.500625 7.051652 4.841694 5.339760 4.856299 7.990325 6.219632 6.526977 6.225260 7.766799 6.812233 3.576944 2.221803 5.384722 5.578991 5.242292 4.622688 4.157390 4.552848 4.339152 0.000000 5.622965 4.718183 7.423983 2.542764 6.077256 2.127159 6.310571 4.836841 6.784857 4.721514 8.200005 3.928601 6.683270 2.198922 6.710215 1.110473 6.039643 2.668711 6.891114 3.490084 7.548565 4.075449 7.852225 4.649028 8.427995 4.886345 8.571782 5.769076 6.735282 4.622971 5.768053 4.158480 8.481254 8.952958 8.433576 2.288916 5.621626 0.000000 5.480028 3.046327 4.748259 4.234381 2.533313 3.589446 2.127590 5.246988 4.765335 6.550321 6.130190 3.953312 3.928807 4.772386 2.203573 4.594860 1.107952 6.164960 2.674987 3.952035 3.498720 6.781936 4.084365 4.858443 4.658609 6.230414 4.898905 5.482350 4.443296 6.795002 7.402864 6.737306 6.858548 6.176041 6.628382 5.214672 2.259817 5.613363 0.000000 7.935291 6.792674 9.280068 4.851455 7.905434 4.009473 7.796964 7.229365 8.991884 7.093111 10.433514 6.206041 8.658785 2.185119 7.511218 2.699259 7.278247 1.097557 7.365566 3.450933 8.240224 2.176739 7.965217 3.923857 8.773374 3.440692 8.650246 8.132765 8.956826 6.901361 8.121701 6.477677 10.801066 11.131690 10.609310 4.695691 7.535033 2.407129 6.920618 0.000000 7.799638 5.167977 6.847771 5.941918 4.845109 4.870061 4.013578 7.437115 7.163704 8.598255 8.498599 6.004707 6.215268 4.935496 2.183433 5.426627 2.697463 6.078583 1.098205 3.641611 3.448941 6.202715 2.178937 3.849179 3.921529 5.235975 3.442899 7.706365 6.829923 8.682204 9.542961 8.699437 9.253191 8.466101 8.954321 6.879012 4.665782 6.536725 2.406674 7.060613 0.000000 6.515254 4.319945 6.540627 3.926000 4.661877 2.592885 4.169055 6.038048 6.604286 6.843757 8.101297 4.573369 5.851624 2.174755 3.354785 2.737896 3.234587 3.441455 3.141024 1.093949 4.409850 3.926302 4.072678 2.181773 5.107461 3.447305 4.972065 6.643520 6.425855 6.898547 7.890761 6.682182 8.738450 8.435453 8.437045 4.660388 4.366064 3.826246 2.858964 4.346993 2.812602 0.000000 6.923584 6.211809 4.316132 6.848424 3.910370 6.225836 2.572109 7.673054 6.074124 8.920409 6.972573 6.754229 4.559781 6.670574 2.171253 6.821642 2.736038 7.775732 3.438337 5.732989 1.094742 8.054822 3.927477 6.102193 2.187523 7.299375 3.453585 8.091530 6.399380 9.508924 9.623901 8.801503 8.015893 6.887973 6.925416 7.552030 4.672232 7.696147 3.829327 8.586784 4.342140 4.971097 0.000000 10.015308 8.561598 10.736275 6.964287 9.311601 5.841722 8.863771 9.421167 10.821202 9.472040 12.290999 8.228060 10.223988 3.450396 7.902967 4.664868 8.125453 2.175420 7.441943 3.927951 8.479324 1.095374 7.601842 3.445155 8.613567 2.180252 8.196756 10.277633 10.786674 9.293538 10.525133 8.892729 12.792380 12.872832 12.440413 7.003980 9.045026 4.757170 7.876778 2.504425 7.247374 5.021650 9.030201 0.000000 10.021402 7.633367 8.616586 8.152598 6.960020 6.941500 5.845910 9.819938 9.382734 10.927481 10.645037 8.386455 8.237919 6.268309 3.453788 7.173534 4.668736 7.047058 2.176720 4.844593 3.929012 6.663132 1.096136 4.271995 3.444190 5.355575 2.180572 10.160328 9.170970 11.027957 11.895634 10.908220 11.492118 10.552925 10.974318 9.003493 6.987525 8.238858 4.764609 8.134161 2.506953 4.453806 5.023551 7.535536 0.000000 8.930275 6.771797 8.472370 6.356842 6.772728 4.979185 5.920236 8.543427 8.933524 9.290154 10.381124 7.080763 7.981257 3.444236 4.145335 4.689232 4.840783 3.921604 3.304163 2.167724 4.824644 3.445345 3.289861 1.095493 4.807627 2.184470 4.113041 9.147840 8.798012 9.297055 10.351119 9.044881 11.104002 10.624064 10.643193 6.982749 6.638303 5.612836 4.721000 5.019096 3.247780 2.509687 5.686276 4.352205 3.220661 0.000000 9.364426 8.385150 6.787118 8.843141 6.352846 7.958389 4.973968 10.009623 8.588975 11.192323 9.480629 8.947760 7.080625 7.712225 3.447593 8.284515 4.696811 8.555988 3.919234 6.565500 2.170899 8.414172 3.441523 6.376809 1.095875 7.383972 2.180916 10.466169 8.865164 11.699885 11.970608 10.998354 10.531415 9.343885 9.400524 9.535293 7.000790 9.191163 5.626171 9.491620 5.017400 6.056483 2.521466 9.262026 4.349007 5.668894 0.000000 10.432596 8.558859 10.403703 7.551242 8.860029 6.208514 8.110850 9.962235 10.803720 10.384816 12.275769 8.579727 9.951040 3.933667 6.549090 5.399988 7.163984 3.439230 5.808919 3.441173 7.045720 2.180026 5.611334 2.183263 6.877584 1.095604 6.184351 10.701995 10.727544 10.290276 11.468057 9.956312 12.928439 12.663371 12.462014 7.905635 8.692487 5.961344 7.021718 4.345289 5.735590 4.352965 7.804996 2.511822 5.374068 2.517356 7.539785 0.000000 10.675173 8.953823 8.597142 9.380225 7.547552 8.249372 6.209037 10.908008 9.968608 12.049571 11.057644 9.614164 8.585172 7.541292 3.939898 8.431630 5.407845 8.233520 3.441633 6.197514 3.444649 7.780838 2.181562 5.583044 2.184814 6.497315 1.095824 11.333102 10.010016 12.348574 12.951702 11.904919 12.035590 10.923096 11.164511 10.145810 7.908035 9.422997 5.974833 9.289124 4.348939 5.852514 4.360250 8.566380 2.514015 4.600137 2.512924 6.389028 0.000000 0.1990623 0.1163123 0.0788557 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= 307 307 307 307 307 MxSgAt= 49 MxSgA2= 49. 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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 49 49 49 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= 22155 NPrTT= 112260 LenC2= 18100 LenP2D= 53921. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 322 RedAO= T EigKep= 9.55D-04 NBF= 322 NBsUse= 322 1.00D-06 EigRej= -1.00D+00 NBFU= 322 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= 301 301 302 303 303 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 0 1 -1540.66596915508 -1540.43121430824 0.234754846842 -1541.03613021751 -0.604915909265 -1541.12851286325 -0.092382645740 -1541.19865431660 -0.070141453351 -1541.20442559136 -0.005771274762 -1541.20568296619 -0.001257374830 -1541.20575685745 -0.000073891259 -1541.20577971760 -0.000022860151 -1541.20591219177 -0.000132474172 -1541.20591898832 -0.000006796551 -1541.20591217780 0.000006810517 -1541.20592322093 -0.000011043121 -1541.20592345080 -0.000000229871 -1541.20592345346 -0.000000002661 -1541.20592345421 -0.000000000753 -1541.20592345433 -0.000000000119 -1541.20592345430 0.000000000028 -1541.20592345 18 1.535827030498e+03 -8.766856904806e+03 3.111210738403e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 333564 IEndB= 333564 NGot= 939524096 MDV= 939311179 LenX= 939311179 LenY= 939207054 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. -5.34934034e-01 2.40168896e+00 -4.61029148e-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 49 16 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.022351300 0.011000024 0.031872952 -0.021851955 -0.040479938 -0.052148960 0.012671554 -0.036888763 0.060833577 0.008372018 -0.004043652 -0.004558823 0.008009466 0.000867629 -0.000527082 0.002700031 -0.000121237 -0.003628700 0.003069772 -0.002215105 0.003020683 -0.001826794 0.009453127 -0.022511579 -0.007352319 -0.018267214 -0.017059467 0.006855336 0.016721628 0.001499659 0.012324007 -0.013707125 0.001120751 0.012643011 0.046116301 0.042565274 -0.025585034 0.027618443 -0.067916146 0.016710060 0.005244915 0.007668339 0.011920199 0.007197147 -0.011545109 -0.015840306 -0.002662534 -0.001656490 -0.013887860 -0.003399952 0.004994741 -0.000361909 0.004030190 0.005026245 -0.002081389 0.004129663 -0.005414224 0.004129730 -0.002727636 -0.011672430 0.008781501 -0.007834598 0.007229212 -0.007255875 0.000806005 0.008769039 -0.008691903 0.003674148 -0.002100386 0.000002364 -0.001968014 -0.010832452 0.005101425 -0.006289031 0.005888415 -0.012011469 -0.001220899 0.000106984 -0.010543683 -0.001931904 0.004388176 -0.008427525 -0.000065595 0.009229932 0.001349759 0.002262024 0.011672911 -0.001849397 0.001790970 -0.002597341 0.001070438 -0.002000963 0.000194075 -0.002454509 -0.001046506 0.004718136 0.001723016 0.003919372 -0.002524832 -0.002402587 -0.003098702 -0.002431538 -0.001992314 0.001824014 0.001039288 0.001555990 0.001203344 0.000824046 0.002791496 -0.000668842 0.001937518 0.006523077 0.000649645 0.003760707 0.004568456 0.002234930 -0.002610119 0.002291603 0.000970356 0.004370154 0.000477912 0.001244944 -0.002787454 0.002508451 0.000782917 0.000037464 0.001736724 0.000956770 -0.001558755 -0.002697119 -0.000100123 0.003073290 -0.004807303 0.002280580 -0.001122748 -0.001297628 -0.000484398 -0.003849955 0.000321720 -0.003527044 0.003329319 -0.004577985 -0.000430770 -0.000812750 -0.004763551 -0.001798542 0.002696452 0.067916146 0.013561789 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1541.23263409839 -1541.23264720523 -0.000013106840 -1541.23264496132 0.000002243909 -1541.23264755211 -0.000002590790 -1541.23264760028 -0.000000048163 -1541.23264760612 -0.000000005840 -1541.23264760670 -0.000000000578 -1541.23264760679 -0.000000000096 -1541.23264760681 -0.000000000015 -1541.23264761 9 1.534527378001e+03 -8.570438456986e+03 3.013792405818e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 333564 IEndB= 333564 NGot= 939524096 MDV= 939311179 LenX= 939311179 LenY= 939207054 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 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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 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|27 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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|49 H 1S|2S 0.74110 1.22726 0.97892 1.00743 1.07815 0.89070 1.80955 1.78925 1.79462 0.20963 0.21291 0.21234 0.83596 0.57414 0.64052 0.90218 0.38125 0.52536 1.13247 0.85924 0.96484 0.87439 1.30246 1.04599 1.04281 0.44437 0.26316 0.37141 1.13254 0.85916 0.97837 0.84679 1.30416 1.03477 1.03289 0.44655 0.34166 0.24105 1.15921 0.83104 0.83674 0.72057 0.91654 1.03534 1.13612 0.09501 0.22852 0.38853 1.15923 0.83098 0.83578 0.74811 0.93444 1.10670 1.04168 0.09821 0.38447 0.25054 1.15992 0.83007 0.90269 0.78903 0.82794 1.12262 0.90624 -0.03332 0.21481 0.24064 1.15991 0.83009 0.90161 0.78519 0.86189 0.91208 1.08487 -0.04743 0.24399 0.23393 1.17439 0.81406 0.71269 0.75917 0.86494 0.87917 0.85124 0.14596 0.13460 0.20434 1.17443 0.81400 0.71535 0.77740 0.89594 0.75820 0.92395 0.15227 0.11043 0.19171 1.17422 0.81434 0.72157 0.70878 0.93594 0.85249 0.92663 0.24585 0.11760 0.19654 1.17424 0.81433 0.72547 0.68886 0.85725 0.90877 0.94498 0.14047 0.17778 0.22182 1.17455 0.81411 0.79146 0.22464 0.90309 0.81675 0.75370 0.04574 0.03026 0.11169 1.17454 0.81415 0.79041 0.21540 0.86359 0.77552 0.84018 0.06774 0.12194 0.05315 1.17436 0.81397 0.75877 0.41063 0.88973 0.92207 0.79477 -0.11573 -0.26554 0.18231 1.17438 0.81397 0.76008 0.41027 0.90343 0.80595 0.89105 -0.13846 0.11064 -0.17766 1.17439 0.81406 0.77001 0.52129 0.92067 0.88540 0.78771 0.07667 0.20224 0.21352 1.17436 0.81408 0.76636 0.53857 0.88602 0.82341 0.89185 0.03064 0.23029 0.23416 1.17440 0.81406 0.75336 0.55501 0.91992 0.91956 0.76713 0.09180 0.14411 0.23905 1.17439 0.81406 0.75200 0.55304 0.91235 0.80186 0.89548 0.05484 0.23509 0.18859 1.17439 0.81395 0.75546 0.57005 0.92582 0.92634 0.75434 0.08068 0.11869 0.21625 1.17439 0.81403 0.75449 0.56755 0.94432 0.77958 0.88308 0.13403 0.18181 0.13615 1.17441 0.81416 0.75609 0.52076 0.91363 0.92402 0.76857 0.03039 0.08619 0.23505 1.17441 0.81416 0.75458 0.52250 0.92439 0.79405 0.88817 0.11437 0.18702 0.07463 1.17442 0.81409 0.75662 0.53129 0.91355 0.93356 0.75741 0.00827 0.10153 0.21864 1.17442 0.81414 0.75554 0.52629 0.90892 0.79496 0.89946 -0.04275 0.22458 0.16435 1.17444 0.81415 0.75835 0.53092 0.93496 0.90414 0.75554 0.15426 -0.01680 0.22577 1.17443 0.81417 0.75692 0.52414 0.92806 0.79120 0.87862 0.12159 0.20129 0.04728 0.50790 0.18929 0.50961 0.20329 0.50679 0.25720 0.50627 0.23173 0.50957 0.27649 0.50926 0.26899 0.50691 0.26756 0.50507 0.23776 0.49233 0.20375 0.47124 0.17251 0.51299 0.28199 0.51090 0.26245 0.51534 0.26050 0.51497 0.25725 0.51223 0.21682 0.51066 0.20665 0.51555 0.25325 0.51629 0.25606 0.51419 0.24382 0.51574 0.25605 0.51523 0.25165 0.51590 0.25586 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 49 S O O N N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H 0.188728 -0.301139 -0.217937 -0.347639 -0.390139 0.039371 0.033872 -0.540551 -0.513696 -0.693955 -0.653975 0.334011 0.283380 0.434662 0.446338 -0.365962 -0.389744 -0.378408 -0.381691 -0.335971 -0.369429 -0.223262 -0.248286 -0.209380 -0.219916 -0.235731 -0.237710 0.302806 0.287105 0.236008 0.261994 0.213941 0.221747 0.225534 0.257176 0.303917 0.356253 0.205021 0.226653 0.224158 0.227778 0.270959 0.282688 0.231201 0.227653 0.241991 0.228213 0.233117 0.228242 0.00000 -5.69853158e-01 2.80250985e+00 -1.19590431e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.4484 7.1233 -3.0397 7.8790 -140.7747 -149.5556 -174.0736 14.5382 -17.7552 3.7664 14.0266 5.2457 -19.2723 14.5382 -17.7552 3.7664 -161.9171 149.0864 77.9438 -46.6718 33.5455 -27.3322 -42.8340 -6.1644 24.8755 7.0251 -10167.5030 -5841.2882 -1098.8430 35.1903 142.8210 -0.7252 479.2257 454.6322 474.3893 -2587.8868 -2049.1815 -1183.0472 190.6303 -69.0194 124.1527 0 -1541.2326476 5.839E-9 1.495E-5 10.4284442,3.9000536,-14.3284978,10.8087632,-13.2005713,2.8002099 C01 [X(C20H22N4O2S1)] -0.5698532 2.8025098 -1.1959043 @ 0.000019539 0.000017676 0.000006057 0.000012795 0.000035543 0.000033325 0.000001171 0.000028508 -0.000006453 0.000034926 -0.000011163 -0.000006474 0.000041291 -0.000003093 0.000053412 -0.000030565 -0.000014530 0.000001771 0.000008147 0.000003533 0.000014845 -0.000041436 0.000009429 0.000002499 0.000028608 -0.000020389 0.000020537 0.000001006 -0.000007812 -0.000000504 0.000001157 0.000021185 -0.000007064 -0.000009949 0.000026069 -0.000050230 -0.000044286 -0.000054839 -0.000034074 -0.000023190 -0.000002491 -0.000004062 -0.000005319 0.000000250 0.000003244 0.000000379 0.000010966 0.000003313 -0.000017464 -0.000017755 -0.000029600 -0.000015058 -0.000006276 -0.000004472 -0.000008319 -0.000007821 0.000013998 -0.000003131 0.000009813 -0.000000583 -0.000017672 0.000008693 0.000001641 0.000017870 -0.000001288 -0.000003246 0.000008148 -0.000001015 0.000011172 0.000005123 0.000019259 0.000013287 0.000006729 0.000001715 -0.000008902 0.000015206 -0.000017194 -0.000002614 0.000014066 0.000002281 -0.000002105 0.000006997 -0.000015649 -0.000014624 -0.000003585 0.000005942 -0.000016136 -0.000004234 -0.000009740 -0.000001221 -0.000001737 -0.000002884 -0.000004900 0.000004971 -0.000002927 0.000001338 -0.000005130 0.000001475 -0.000000295 -0.000004729 0.000007790 -0.000005387 -0.000001893 -0.000005304 0.000000581 -0.000000323 -0.000003751 -0.000001113 -0.000009942 0.000006801 -0.000020718 -0.000001811 -0.000006036 -0.000002686 0.000000137 0.000006923 0.000015437 -0.000003225 -0.000005035 0.000002139 0.000004261 -0.000004511 0.000002306 -0.000004220 -0.000002823 0.000010017 0.000002799 -0.000000647 -0.000000247 0.000002993 -0.000002979 0.000002530 0.000005733 -0.000000595 0.000008872 -0.000001491 0.000000527 -0.000000082 0.000002503 0.000002307 0.000000188 0.000005981 0.000000170 0.000000976 0.000006172 0.000001691 0.000004306 360.3045999999997 AuxInfo=1/0/N:10,11,26,27,22,24,23,25,18,20,19,21,16,17,8,9,14,15,12,13,6,7,4,5,2,3,1/E:(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)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.2,22.2,25.1,26.1/rA:49SO1O1NNN2N2CCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s5;s1;s1;s8;s9;s2s4s8;s3s5s9;;;s6s14;s7s15;s14;s15;s14;s15;s18;s19;s20;s21;s22s24;s23s25;s8;s9;s10;s10;s10;s11;s11;s11;s4;s5;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2029 CBGUSER 000229976 EM64L-G09RevD.01 5-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 141 C1[X(C20H22N4O2S)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 360.3045999999997 0 1 AuxInfo=1/0/N:10,11,26,27,22,24,23,25,18,20,19,21,16,17,8,9,14,15,12,13,6,7,4,5,2,3,1/E:(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)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.2,22.2,25.1,26.1/rA:49SO1O1NNN2N2CCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s5;s1;s1;s8;s9;s2s4s8;s3s5s9;;;s6s14;s7s15;s14;s15;s14;s15;s18;s19;s20;s21;s22s24;s23s25;s8;s9;s10;s10;s10;s11;s11;s11;s4;s5;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-31779.inp" -scrdir="/scratch/" chk=000229976-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 000229976 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 32 16 16 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 15.9949146 15.9949146 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 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 0 0 0 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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| 0.000263 0.000057 0.083334 0.024646 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.136946e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2480.8860438087 322 748 322 101 101 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 49 49 49 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 0 360.3045999999997 AuxInfo=1/0/N:10,11,26,27,22,24,23,25,18,20,19,21,16,17,8,9,14,15,12,13,6,7,4,5,2,3,1/E:(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)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.2,22.2,25.1,26.1/rA:49SO1O1NNN2N2CCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s5;s1;s1;s8;s9;s2s4s8;s3s5s9;;;s6s14;s7s15;s14;s15;s14;s15;s18;s19;s20;s21;s22s24;s23s25;s8;s9;s10;s10;s10;s11;s11;s11;s4;s5;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.432195 0.000000 3.553530 4.771767 0.000000 3.520292 2.340929 5.623558 0.000000 3.529851 2.798876 2.358961 4.119994 0.000000 4.600458 2.804538 5.956564 1.391862 4.213974 0.000000 4.715475 3.754449 2.840628 4.795448 1.385273 4.497587 0.000000 1.925710 2.436523 5.005746 2.474298 4.052938 3.769328 5.256888 0.000000 1.940642 3.290572 2.460572 4.468782 2.449158 5.249265 3.761122 2.995705 0.000000 2.801387 3.755849 6.242458 2.935814 5.491150 4.323952 6.620124 1.538494 4.335393 0.000000 2.837057 4.737375 2.872723 5.907311 3.719378 6.760991 4.904559 4.111288 1.533454 5.238893 0.000000 2.791896 1.272319 4.967930 1.387630 3.403089 2.416383 4.387131 1.528427 3.391968 2.626922 4.813630 0.000000 2.847949 3.550711 1.259261 4.648901 1.397649 5.052637 2.422250 3.968849 1.545375 5.332098 2.542197 3.840852 0.000000 6.782127 5.124961 7.636694 3.677913 6.019973 2.430274 5.801044 6.135613 7.454734 6.455648 8.955616 4.844573 6.957738 0.000000 6.890261 5.129031 5.162832 5.896486 3.668763 5.034741 2.427323 7.078307 6.115669 8.334590 7.309095 5.857133 4.847064 5.399898 0.000000 5.528913 4.111990 6.914997 2.301619 5.353375 1.317937 5.463473 4.766303 6.396356 4.995198 7.879059 3.583825 6.138241 1.466714 5.679296 0.000000 5.544154 3.750947 4.150388 4.770219 2.293138 4.150161 1.320073 5.685977 4.729902 7.008253 5.992859 4.526732 3.588264 5.154188 1.468286 5.054020 0.000000 7.899249 6.463666 8.875819 4.789016 7.389783 3.699326 7.135679 7.246798 8.739806 7.341686 10.217478 6.063393 8.263136 1.422592 6.601174 2.490780 6.499718 0.000000 7.899548 5.652382 6.513612 6.352563 4.783547 5.295646 3.702203 7.798708 7.207713 8.990785 8.474920 6.431957 6.071505 5.260423 1.423171 5.801612 2.493192 6.363031 0.000000 7.138579 5.131315 7.379639 4.292532 5.629365 2.908612 5.147039 6.610877 7.449511 7.215274 8.952848 5.187566 6.738633 1.424418 4.256204 2.524740 4.277730 2.455886 3.928662 0.000000 7.435569 6.228690 5.153707 6.860705 4.284340 6.056751 2.900870 7.938326 6.628772 9.178089 7.656952 6.850703 5.186111 6.258978 1.425192 6.592413 2.529145 7.342128 2.454209 5.158152 0.000000 9.134598 7.556017 9.757821 6.083243 8.262163 4.884828 7.806875 8.548928 9.839530 8.723848 11.322140 7.294984 9.216512 2.458972 6.855324 3.789962 7.043819 1.410738 6.414387 2.832579 7.495136 0.000000 9.203749 7.051689 7.605356 7.609707 6.078570 6.467434 4.887446 9.164211 8.522667 10.317590 9.745403 7.789585 7.303042 6.007255 2.462513 6.786777 3.794583 6.903125 1.411735 4.603101 2.832914 6.669813 0.000000 8.479989 6.451746 8.414505 5.696542 6.730458 4.313194 6.039919 8.013198 8.709546 8.613400 10.191194 6.582004 7.874239 2.454289 4.639516 3.807158 5.064662 2.826314 4.013287 1.407039 5.371047 2.451602 4.247959 0.000000 8.803697 7.515081 6.475735 8.031893 5.688933 7.096776 4.307005 9.277356 8.034578 10.475112 9.039588 8.132275 6.581212 6.891093 2.455827 7.466724 3.811621 7.807748 2.823361 5.680926 1.407677 7.708090 2.449311 5.541257 0.000000 9.394236 7.553761 9.553599 6.465294 7.977897 5.132931 7.331945 8.887421 9.828940 9.290198 11.313160 7.519303 9.047200 2.838077 5.998520 4.304447 6.429619 2.446522 5.381350 2.449920 6.607265 1.414477 5.447731 1.417799 6.654708 0.000000 9.609889 7.878084 7.593655 8.369718 6.461604 7.282785 5.133813 9.833620 8.889683 10.999917 10.000948 8.552002 7.525371 6.783794 2.844079 7.559684 4.312039 7.609581 2.447902 5.442937 2.453291 7.322683 1.414430 5.034518 1.418277 6.110131 0.000000 2.475635 2.550725 5.268456 3.327095 4.267221 4.525245 5.568526 1.101908 2.958550 2.183768 3.883997 2.125504 4.163648 6.942419 7.434485 5.619306 5.990714 8.104798 8.128134 7.305476 8.347834 9.377861 9.526913 8.693608 9.709254 9.641068 10.245245 0.000000 2.459215 2.636249 3.320623 4.266012 2.535047 5.043768 3.911344 2.731429 1.104129 4.196368 2.198854 2.994083 2.197606 7.352787 6.087721 6.285682 4.639520 8.680127 7.025915 7.312779 6.803188 9.783269 8.394287 8.590442 8.203942 9.746520 8.917758 2.388139 0.000000 3.810310 3.930822 7.131278 3.045702 6.098902 4.346301 7.184955 2.189835 5.161686 1.105736 6.127339 2.877375 6.132140 6.381387 8.693336 4.938266 7.396040 7.197877 9.192742 7.203435 9.655293 8.581326 10.514218 8.582625 10.914501 9.199003 11.311867 2.589569 4.835206 0.000000 2.999377 4.558621 6.538438 4.010798 6.084497 5.402280 7.298673 2.172834 4.515294 1.102738 5.111957 3.546270 5.709138 7.540676 9.177529 6.080123 7.810854 8.407863 9.908216 8.291298 9.963874 9.795108 11.250949 9.690759 11.294225 10.373934 11.890651 2.462164 4.441344 1.788601 0.000000 2.943576 4.243568 6.285657 2.852366 5.694282 4.159939 6.690499 2.214664 4.726218 1.107026 5.663187 2.997113 5.511250 6.049046 8.331680 4.598251 7.096864 6.812070 9.013548 6.932174 9.081325 8.204801 10.278203 8.299314 10.331619 8.866117 10.884928 3.116179 4.792295 1.799377 1.772507 0.000000 2.979163 5.035245 3.938432 6.135660 4.571799 7.148326 5.843403 4.007705 2.184853 4.942990 1.102776 4.989604 3.505467 9.441433 8.221238 8.259026 6.850121 10.671637 9.321567 9.554995 8.659318 11.847578 10.632796 10.848523 10.053527 11.930653 10.966321 3.614731 2.544876 5.797857 4.612277 5.484678 0.000000 3.834592 5.134575 3.047970 6.615354 3.853041 7.348966 4.927364 4.927334 2.172522 6.164680 1.105999 5.454273 2.807163 9.513514 7.256857 8.526477 5.998799 10.829381 8.417049 9.361857 7.568484 11.867543 9.654299 10.541948 8.921152 11.740230 9.883157 4.567075 2.551872 6.978602 6.072113 6.654164 1.798427 0.000000 3.052806 5.456984 2.620265 6.326870 4.112464 7.150216 5.134385 4.682214 2.177720 5.666975 1.102491 5.399268 2.754661 9.212467 7.557269 8.167604 6.337421 10.417023 8.814756 9.237887 7.722775 11.502374 10.018996 10.441241 9.070089 11.516114 10.137142 4.657363 3.107989 6.652817 5.507453 5.906309 1.800488 1.778908 0.000000 3.569423 3.244808 6.080070 1.030808 4.886319 2.108707 5.589797 2.597622 4.902209 2.508699 6.229592 2.088212 5.204625 3.977430 6.757340 2.515868 5.669745 4.858458 7.246508 4.848698 7.627730 6.230825 8.456973 6.218168 8.779110 6.811134 9.158085 3.583728 4.825603 2.640014 3.576057 2.116075 6.359251 7.055615 6.550188 0.000000 3.431392 1.805992 3.262070 3.479341 1.042453 3.639624 2.109682 3.443059 2.542900 4.915979 3.963067 2.618405 2.104944 5.653275 3.968402 4.888134 2.500626 7.051651 4.841694 5.339760 4.856299 7.990325 6.219632 6.526977 6.225261 7.766799 6.812233 3.576943 2.221803 5.384721 5.578991 5.242292 4.622688 4.157391 4.552848 4.339151 0.000000 5.622965 4.718183 7.423983 2.542764 6.077256 2.127159 6.310571 4.836841 6.784857 4.721513 8.200005 3.928601 6.683270 2.198922 6.710215 1.110473 6.039643 2.668710 6.891114 3.490084 7.548565 4.075449 7.852225 4.649027 8.427995 4.886344 8.571783 5.769076 6.735282 4.622971 5.768054 4.158479 8.481253 8.952959 8.433575 2.288916 5.621626 0.000000 5.480028 3.046326 4.748259 4.234382 2.533313 3.589447 2.127589 5.246988 4.765335 6.550321 6.130190 3.953312 3.928807 4.772387 2.203573 4.594859 1.107952 6.164960 2.674987 3.952035 3.498720 6.781936 4.084365 4.858443 4.658609 6.230414 4.898906 5.482350 4.443296 6.795001 7.402864 6.737305 6.858548 6.176041 6.628382 5.214672 2.259817 5.613363 0.000000 7.935291 6.792674 9.280068 4.851455 7.905433 4.009473 7.796964 7.229365 8.991884 7.093111 10.433514 6.206042 8.658785 2.185119 7.511218 2.699259 7.278247 1.097557 7.365566 3.450933 8.240223 2.176739 7.965216 3.923857 8.773373 3.440691 8.650246 8.132765 8.956826 6.901361 8.121701 6.477677 10.801066 11.131690 10.609310 4.695691 7.535032 2.407129 6.920618 0.000000 7.799638 5.167977 6.847771 5.941918 4.845110 4.870062 4.013578 7.437116 7.163704 8.598255 8.498599 6.004707 6.215269 4.935497 2.183433 5.426627 2.697464 6.078583 1.098205 3.641610 3.448940 6.202715 2.178937 3.849179 3.921529 5.235976 3.442899 7.706365 6.829923 8.682204 9.542962 8.699437 9.253191 8.466101 8.954321 6.879011 4.665782 6.536725 2.406674 7.060613 0.000000 6.515254 4.319945 6.540627 3.925999 4.661877 2.592886 4.169054 6.038049 6.604286 6.843757 8.101297 4.573369 5.851624 2.174755 3.354785 2.737896 3.234587 3.441455 3.141023 1.093949 4.409849 3.926302 4.072678 2.181773 5.107460 3.447305 4.972066 6.643520 6.425855 6.898547 7.890761 6.682182 8.738450 8.435453 8.437045 4.660388 4.366063 3.826246 2.858964 4.346993 2.812602 0.000000 6.923584 6.211809 4.316132 6.848424 3.910370 6.225836 2.572108 7.673054 6.074124 8.920408 6.972573 6.754229 4.559781 6.670574 2.171253 6.821642 2.736037 7.775731 3.438336 5.732989 1.094742 8.054822 3.927477 6.102193 2.187523 7.299375 3.453584 8.091530 6.399381 9.508924 9.623902 8.801503 8.015893 6.887974 6.925416 7.552030 4.672232 7.696147 3.829326 8.586783 4.342140 4.971096 0.000000 10.015308 8.561598 10.736275 6.964287 9.311601 5.841723 8.863771 9.421167 10.821202 9.472040 12.291000 8.228061 10.223989 3.450396 7.902967 4.664869 8.125453 2.175421 7.441943 3.927951 8.479323 1.095374 7.601842 3.445155 8.613566 2.180252 8.196756 10.277632 10.786674 9.293538 10.525134 8.892729 12.792380 12.872833 12.440412 7.003981 9.045026 4.757170 7.876778 2.504425 7.247374 5.021650 9.030200 0.000000 10.021401 7.633367 8.616587 8.152598 6.960020 6.941501 5.845909 9.819938 9.382734 10.927481 10.645037 8.386455 8.237920 6.268309 3.453788 7.173533 4.668737 7.047058 2.176720 4.844592 3.929012 6.663131 1.096136 4.271995 3.444190 5.355575 2.180573 10.160328 9.170971 11.027957 11.895634 10.908219 11.492118 10.552925 10.974317 9.003492 6.987525 8.238858 4.764609 8.134160 2.506952 4.453806 5.023551 7.535535 0.000000 8.930275 6.771797 8.472370 6.356842 6.772728 4.979185 5.920236 8.543426 8.933524 9.290153 10.381124 7.080763 7.981257 3.444236 4.145335 4.689232 4.840783 3.921603 3.304163 2.167723 4.824644 3.445345 3.289862 1.095493 4.807627 2.184470 4.113041 9.147839 8.798012 9.297055 10.351119 9.044880 11.104001 10.624064 10.643193 6.982749 6.638303 5.612835 4.721000 5.019095 3.247780 2.509687 5.686276 4.352205 3.220661 0.000000 9.364426 8.385150 6.787119 8.843141 6.352846 7.958390 4.973968 10.009623 8.588975 11.192323 9.480629 8.947760 7.080625 7.712226 3.447593 8.284515 4.696810 8.555988 3.919234 6.565500 2.170899 8.414172 3.441523 6.376810 1.095874 7.383972 2.180916 10.466169 8.865164 11.699885 11.970608 10.998354 10.531415 9.343885 9.400524 9.535293 7.000790 9.191164 5.626171 9.491620 5.017400 6.056483 2.521465 9.262026 4.349007 5.668894 0.000000 10.432596 8.558859 10.403703 7.551242 8.860029 6.208515 8.110849 9.962235 10.803721 10.384816 12.275769 8.579727 9.951040 3.933667 6.549091 5.399989 7.163984 3.439230 5.808919 3.441172 7.045719 2.180025 5.611334 2.183263 6.877584 1.095604 6.184351 10.701994 10.727544 10.290275 11.468057 9.956312 12.928438 12.663371 12.462014 7.905635 8.692487 5.961344 7.021718 4.345289 5.735590 4.352965 7.804995 2.511821 5.374068 2.517356 7.539785 0.000000 10.675173 8.953823 8.597142 9.380225 7.547553 8.249373 6.209037 10.908008 9.968609 12.049571 11.057645 9.614164 8.585172 7.541292 3.939898 8.431631 5.407845 8.233520 3.441634 6.197514 3.444649 7.780838 2.181562 5.583045 2.184815 6.497315 1.095824 11.333102 10.010017 12.348574 12.951703 11.904919 12.035591 10.923097 11.164511 10.145810 7.908036 9.422997 5.974833 9.289124 4.348939 5.852514 4.360250 8.566380 2.514015 4.600137 2.512924 6.389028 0.000000 C20H22N4O2S 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 0 360.3045999999997 AuxInfo=1/0/N:10,11,26,27,22,24,23,25,18,20,19,21,16,17,8,9,14,15,12,13,6,7,4,5,2,3,1/E:(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)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,17.3,18.3,19.3,20.3,21.2,22.2,25.1,26.1/rA:49SO1O1NNN2N2CCCCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s4;s5;s1;s1;s8;s9;s2s4s8;s3s5s9;;;s6s14;s7s15;s14;s15;s14;s15;s18;s19;s20;s21;s22s24;s23s25;s8;s9;s10;s10;s10;s11;s11;s11;s4;s5;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.1990623 0.1163123 0.0788557 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= 22155 NPrTT= 112260 LenC2= 18100 LenP2D= 53921. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 322 RedAO= T EigKep= 9.55D-04 NBF= 322 NBsUse= 322 1.00D-06 EigRej= -1.00D+00 NBFU= 322 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= 301 302 303 303 303 MxSgAt= 49 MxSgA2= 49. 1 Closed 1 0 1 -1540.70825409585 -1540.00834454224 0.699909553611 -1540.82876842386 -0.820423881622 -1541.15121958168 -0.322451157817 -1541.18394014948 -0.032720567798 -1541.22956930468 -0.045629155203 -1541.23205381390 -0.002484509220 -1541.23228863903 -0.000234825126 -1541.23243113420 -0.000142495179 -1541.23244640523 -0.000015271024 -1541.23263914819 -0.000192742959 -1541.23264796554 -0.000008817351 -1541.23264017937 0.000007786174 -1541.23265279971 -0.000012620342 -1541.23265326947 -0.000000469761 -1541.23265327846 -0.000000008991 -1541.23265327891 -0.000000000450 -1541.23265327898 -0.000000000066 -1541.23265327896 0.000000000018 -1541.23265328 19 1.534527363833e+03 -8.570438382791e+03 3.013792321871e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 334096 IEndB= 334096 NGot= 939524096 MDV= 939310647 LenX= 939310647 LenY= 939206522 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= 49. Will process 50 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111111 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= 939523280 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= 690000000 NMat= 150 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= 150 NMatS0= 150 NMatT0= 0 NMatD0= 150 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 150 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 147 vectors produced by pass 0 Test12= 2.23D-14 1.00D-09 XBig12= 1.47D+03 2.45D+01. AX will form 147 AO Fock derivatives at one time. 147 vectors produced by pass 1 Test12= 2.23D-14 1.00D-09 XBig12= 3.95D+02 2.26D+00. 147 vectors produced by pass 2 Test12= 2.23D-14 1.00D-09 XBig12= 1.51D+00 7.33D-02. 147 vectors produced by pass 3 Test12= 2.23D-14 1.00D-09 XBig12= 9.48D-04 2.35D-03. 109 vectors produced by pass 4 Test12= 2.23D-14 1.00D-09 XBig12= 1.19D-07 1.95D-05. 14 vectors produced by pass 5 Test12= 2.23D-14 1.00D-09 XBig12= 9.99D-12 2.26D-07. 3 vectors produced by pass 6 Test12= 2.23D-14 1.00D-09 XBig12= 2.40D-15 5.59D-09. InvSVY: IOpt=1 It= 1 EMax= 5.68D-14 Solved reduced A of dimension 714 with 150 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 313.71 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 478.787 -0.617 282.316 2.269 2.384 180.035 902.011 19.733 499.449 24.824 -0.327 401.558 (Enter /mnt/data/applications/G09/g09/l716.exe) PT8283.799S Fri Jan 5 02:22:59 2018 -88.09364 -18.76465 -18.72841 -14.08903 -14.06156 -14.04402 -14.02998 -10.03218 -9.99530 -9.96646 -9.96531 -9.94688 -9.93503 -9.93142 -9.92755 -9.92459 -9.92110 -9.92069 -9.91697 -9.91601 -9.91589 -9.90729 -9.90697 -9.90617 -9.90380 -9.89883 -9.88955 -7.69377 -5.71730 -5.71283 -5.70256 -0.98917 -0.95226 -0.94044 -0.90671 -0.81595 -0.78691 -0.78522 -0.76538 -0.75393 -0.71899 -0.70071 -0.68818 -0.68177 -0.67234 -0.64402 -0.62376 -0.60310 -0.59061 -0.56906 -0.56245 -0.55888 -0.54462 -0.53957 -0.52829 -0.51156 -0.49894 -0.47244 -0.47134 -0.45243 -0.45012 -0.44359 -0.43897 -0.42626 -0.41268 -0.40846 -0.40483 -0.40263 -0.38983 -0.38747 -0.38553 -0.38442 -0.37682 -0.37284 -0.37002 -0.36905 -0.35755 -0.35398 -0.35195 -0.34582 -0.33323 -0.33033 -0.32247 -0.31651 -0.31376 -0.31181 -0.30656 -0.29792 -0.29658 -0.27898 -0.26982 -0.25679 -0.24323 -0.23982 -0.23503 -0.22519 -0.22393 -0.21432 -0.20962 -0.19138 -0.18600 -0.10554 -0.07938 -0.06336 -0.04971 -0.03790 -0.03458 -0.01332 0.00782 0.00835 0.02368 0.03442 0.05870 0.07959 0.08353 0.09090 0.09354 0.09763 0.10056 0.10764 0.11195 0.11478 0.11764 0.12375 0.12641 0.12919 0.13586 0.13675 0.13981 0.14804 0.14989 0.15627 0.15934 0.16364 0.17013 0.17074 0.17607 0.18084 0.18629 0.19169 0.19591 0.19975 0.20930 0.21608 0.22033 0.22480 0.22910 0.23262 0.23669 0.24143 0.25018 0.25117 0.25939 0.26346 0.27131 0.27464 0.27909 0.28090 0.28745 0.28858 0.29473 0.29832 0.29997 0.31440 0.32061 0.32093 0.32500 0.32895 0.33722 0.34096 0.34283 0.35185 0.35299 0.35974 0.36092 0.36396 0.36749 0.37155 0.37229 0.38011 0.38552 0.38690 0.39043 0.39139 0.39454 0.39749 0.39962 0.40530 0.40941 0.41308 0.41977 0.42433 0.42755 0.43260 0.43731 0.44133 0.44566 0.44857 0.45601 0.46376 0.47090 0.47508 0.48610 0.49900 0.51053 0.51244 0.52186 0.52930 0.53447 0.54458 0.54974 0.55905 0.57049 0.58297 0.58731 0.59929 0.60225 0.61364 0.61620 0.62874 0.63185 0.63927 0.64787 0.65960 0.66270 0.66713 0.67235 0.68592 0.68762 0.69194 0.70472 0.71829 0.73217 0.74230 0.75471 0.77827 0.78091 0.80027 0.82478 0.83609 0.86850 0.87636 0.89045 0.90251 0.90402 0.90896 0.92271 0.92375 0.93116 0.94414 0.96082 0.97467 0.98186 0.99005 0.99948 1.01088 1.02837 1.03284 1.03845 1.05082 1.05996 1.07227 1.07849 1.08977 1.09538 1.10032 1.11076 1.11464 1.12027 1.13416 1.15256 1.17393 1.18441 1.20666 1.21293 1.22092 1.25663 1.26837 1.29444 1.30013 1.31006 1.32345 1.33891 1.38617 1.41299 1.47578 1.50674 1.51688 1.55930 1.69524 1.73237 5.14749 5.17226 5.28651 7.43761 22.27260 22.29595 22.39348 22.42738 22.49886 22.51886 22.53997 22.55129 22.55924 22.57198 22.59299 22.60632 22.61615 22.64814 22.65541 22.67179 22.67856 22.69002 22.76940 22.77821 31.41405 31.45935 31.51049 31.55634 41.54585 41.56885 191.67620 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 49 S O O N N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H 0.188636 -0.301138 -0.217946 -0.347604 -0.390129 0.039420 0.033815 -0.540525 -0.513563 -0.693999 -0.653920 0.334008 0.283340 0.434514 0.446427 -0.366135 -0.389811 -0.378518 -0.381636 -0.335692 -0.369502 -0.223230 -0.248330 -0.209475 -0.219954 -0.235716 -0.237720 0.302842 0.287069 0.236023 0.262008 0.213939 0.221742 0.225521 0.257175 0.303926 0.356259 0.205084 0.226732 0.224187 0.227782 0.270923 0.282717 0.231182 0.227670 0.242037 0.228222 0.233111 0.228233 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 S O O N N N N C C C C C C C C C C C C C C C C C C C C 0.188636 -0.301138 -0.217946 -0.043678 -0.033871 0.039420 0.033815 -0.237683 -0.226494 0.017972 0.050517 0.334008 0.283340 0.434514 0.446427 -0.161051 -0.163079 -0.154331 -0.153853 -0.064769 -0.086785 0.007951 -0.020660 0.032562 0.008267 -0.002604 -0.009487 0.00000 3.85405360e-01 2.99829532e+00 6.86601450e-01 4.78786545e+02 -6.17003179e-01 2.82316110e+02 2.26947162e+00 2.38377786e+00 1.80035117e+02 -7.3349 -1.8388 -0.0021 -0.0014 -0.0013 2.0505 13.0159 21.3297 27.5765 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 12.5363 21.2300 27.5418 29.5849 45.9393 48.9897 59.9035 65.0261 76.4933 87.9476 125.4511 131.6258 155.3531 157.1931 160.2525 194.0183 209.8573 219.9653 233.9067 238.1320 250.2089 255.6086 257.6196 275.3996 292.9663 315.3921 332.4075 343.5652 359.7828 403.0463 405.3251 419.4156 441.2468 476.3397 492.6003 509.8394 516.3034 557.6052 579.4845 613.6323 614.6705 618.6456 624.5015 641.7951 660.2135 674.6969 696.5841 700.2541 712.4815 728.7069 771.1092 772.4656 822.9315 834.6078 842.2950 853.9126 858.6799 921.9836 922.5696 925.5728 929.8254 955.7998 963.0060 984.1323 984.6533 985.2429 987.3060 988.9625 994.9144 1005.3379 1005.6660 1021.0237 1022.3202 1024.6768 1034.3837 1067.2324 1080.7152 1082.0407 1090.4731 1094.1507 1119.9857 1167.7762 1171.6379 1174.2909 1182.0991 1184.9205 1188.5599 1222.0504 1238.2072 1246.9672 1255.3921 1297.9808 1309.8875 1316.6173 1317.6283 1345.4531 1351.9202 1389.2561 1391.0500 1392.6910 1395.7732 1436.8002 1438.3273 1455.6014 1465.0278 1471.1582 1480.6839 1481.6288 1487.0474 1517.4807 1545.2378 1567.0928 1567.9013 1588.6890 1593.2119 1596.4606 1611.8439 1612.3543 1642.4844 2962.1819 2978.1503 2993.2716 2993.6442 3043.0280 3058.8044 3077.2973 3088.6994 3098.3441 3108.4872 3114.9808 3117.1292 3126.9117 3133.9219 3138.7796 3147.5616 3155.1383 3162.3920 3167.4610 3174.4992 3193.9483 3395.3885 5.9522 5.1112 5.9669 3.9649 5.7457 4.3576 5.2275 4.6523 6.1375 5.3982 5.0827 4.6220 5.7500 5.6456 5.0531 4.1139 2.6846 2.0026 2.0418 2.7546 3.2592 1.9488 2.1321 3.7651 4.2431 4.4183 4.7524 5.4702 4.8885 2.8111 2.8599 5.7926 6.1977 5.7657 5.9249 2.9047 3.1378 5.5405 4.8261 6.4125 6.4533 1.4730 3.5206 5.9966 4.8431 3.9493 1.7579 1.8074 6.0042 5.6190 1.7082 1.7449 1.8603 4.8536 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