Gaussian 09 GINC-KIMIK2075 CBGUSER 000135448 EM64L-G09RevD.01 10-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 317.1046999999998 0 1 AuxInfo=1/0/N:15,12,13,11,9,7,6,19,16,21,14,20,8,17,5,22,18,10,2,1,4,3/E:(2,3)/CRV:8.3,9.3,10.3,11.3,12.3,14.3,16.3,17.3,18.3,22.1/rA:47ClClO1NCCCCCC3CCCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s6;s4s5;s7;s3s5;s9;s4;s4;s10;s11;s14;s16;s1s17;s17;s18;s19;s2s20s21;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s12;s12;s12;s13;s13;s13;s14;s15;s15;s15;s16;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-21249.inp" -scrdir="/scratch/" chk=000135448.chk nprocshared=4 mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000135448 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 35 35 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 (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 1 2 3 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 11 11 11 12 12 12 13 13 13 14 14 15 15 15 16 16 17 17 18 19 19 20 20 21 21 18 22 10 8 12 13 6 8 10 23 7 24 25 9 26 27 28 29 11 30 31 14 15 32 33 34 35 36 37 38 39 16 40 41 42 43 17 44 18 19 20 21 45 22 46 22 47 1.7294 1.7211 1.2294 1.4585 1.4638 1.4639 1.5425 1.538 1.5296 1.0956 1.5342 1.0976 1.096 1.5323 1.0967 1.0959 1.099 1.0986 1.5306 1.0975 1.0974 1.4933 1.5206 1.0963 1.0965 1.0958 1.0961 1.0958 1.094 1.0961 1.0968 1.3404 1.0844 1.0944 1.0945 1.0945 1.4738 1.0872 1.3867 1.3878 1.3948 1.3949 1.0871 1.3948 1.088 1.3948 1.087 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 8 8 12 6 6 6 8 8 10 5 5 5 7 7 24 6 6 6 9 9 26 4 4 4 5 5 28 7 7 7 11 11 30 3 3 5 9 9 9 15 15 32 4 4 4 34 34 35 4 4 4 37 37 38 10 10 16 11 11 11 41 41 42 14 14 17 16 16 18 1 1 17 17 17 21 18 18 22 19 19 22 2 2 20 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 12 13 13 8 10 23 10 23 23 7 24 25 24 25 25 9 26 27 26 27 27 5 28 29 28 29 29 11 30 31 30 31 31 5 14 14 15 32 33 32 33 33 34 35 36 35 36 36 37 38 39 38 39 39 16 40 40 41 42 43 42 43 43 17 44 44 18 19 19 17 20 20 21 45 45 22 46 46 22 47 47 20 21 21 110.6053 110.5984 110.2971 112.2562 110.7684 108.4112 107.6652 110.1105 107.5276 112.2291 109.6015 110.5254 108.8873 108.4861 106.9548 113.3399 109.4348 110.1181 109.172 107.7145 106.8446 112.0001 111.2305 109.0503 109.6554 108.5341 106.1635 115.6969 108.7318 108.4822 108.3791 108.8323 106.3229 122.0458 121.6598 116.2806 113.6036 109.2326 109.1582 109.0007 108.8074 106.8163 110.601 112.168 110.6061 108.3792 106.508 108.377 112.1307 112.3613 110.2563 109.0051 105.0503 107.6905 120.3095 118.3128 121.3775 110.3462 110.892 110.8621 108.1698 108.1809 108.2925 124.6432 121.1766 114.1802 121.6822 117.2173 121.1005 122.4067 118.13 119.4633 119.437 121.4418 119.1211 119.9977 120.151 119.8513 119.9955 119.199 120.8055 120.0331 119.961 120.0059 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 12 12 12 13 13 13 8 8 8 13 13 13 8 8 8 12 12 12 8 8 8 10 10 10 23 23 23 6 6 6 10 10 10 23 23 23 6 6 8 8 23 23 5 5 5 24 24 24 25 25 25 6 6 6 26 26 26 27 27 27 7 7 7 30 30 30 31 31 31 3 3 5 5 9 9 9 32 32 32 33 33 33 10 10 40 40 14 14 44 44 16 16 19 19 16 16 18 18 1 1 17 17 17 17 45 45 18 18 46 46 19 19 47 47 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 16 16 16 16 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 8 8 8 8 8 8 12 12 12 12 12 12 13 13 13 13 13 13 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 5 28 29 5 28 29 34 35 36 34 35 36 37 38 39 37 38 39 7 24 25 7 24 25 7 24 25 4 28 29 4 28 29 4 28 29 3 14 3 14 3 14 9 26 27 9 26 27 9 26 27 11 30 31 11 30 31 11 30 31 15 32 33 15 32 33 15 32 33 16 40 16 40 41 42 43 41 42 43 41 42 43 17 44 17 44 18 19 18 19 1 20 1 20 21 45 21 45 22 46 22 46 22 47 22 47 2 21 2 21 2 20 2 20 175.3085 -61.5881 55.162 -62.1972 60.9063 177.6564 -177.1715 61.7049 -59.4195 60.1583 -60.9652 177.9103 69.597 -53.5945 -173.731 -167.7288 69.0797 -51.0568 -177.9576 -56.8433 60.7935 -57.5688 63.5455 -178.8178 60.1872 -178.6986 -61.0618 -56.3122 179.6989 64.1349 -178.4817 57.5294 -58.0346 64.5691 -59.4199 -174.9839 -59.9072 118.7592 63.1784 -118.1552 -178.2016 0.4648 177.7143 -60.1767 56.9848 56.1902 178.2992 -64.5392 -59.873 62.236 179.3975 -176.0734 -53.8884 61.3415 61.6713 -176.1437 -60.9138 -53.9946 68.1904 -176.5797 -177.8595 60.2192 -56.241 59.7681 -62.1532 -178.6135 -55.4601 -177.3814 66.1584 -0.9305 178.8944 -179.6025 0.2224 -179.9667 60.1962 -60.135 -57.9167 -177.7539 61.915 58.2196 -61.6176 178.0513 179.6996 -0.2013 -0.1199 179.9793 -88.9363 91.0544 90.9707 -89.0386 -0.0132 179.9983 179.9965 0.008 179.9953 0.0529 -0.014 -179.9563 -179.9908 0.006 -0.0017 179.9951 0.0137 -179.9876 179.9574 -0.0439 -179.9994 0.0016 0.0039 -179.9951 179.9933 -0.0077 -0.0053 179.9937 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 255 282 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 47 47 47 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= 18145 NPrTT= 88945 LenC2= 14572 LenP2D= 43608. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 286 RedAO= T EigKep= 5.76D-04 NBF= 286 NBsUse= 286 1.00D-06 EigRej= -1.00D+00 NBFU= 286 Using GEDIIS/GDIIS optimizer. local minimum Step number 20 out of a maximum of 255 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00142 0.00193 0.00287 0.00317 0.00345 0.00362 0.00400 0.00491 0.00507 0.00766 0.00849 0.00897 0.01897 0.01980 0.02113 0.02157 0.02158 0.02164 0.02176 0.02198 0.02203 0.02232 0.02264 0.02338 0.02811 0.03218 0.03460 0.03521 0.03549 0.03839 0.04262 0.04412 0.04779 0.04805 0.04833 0.04868 0.05052 0.05540 0.05617 0.05675 0.05727 0.07067 0.07085 0.07446 0.07504 0.08278 0.08408 0.08441 0.08472 0.09404 0.12192 0.12272 0.12320 0.12552 0.13026 0.14477 0.14869 0.15951 0.15961 0.15997 0.16000 0.16003 0.16004 0.16007 0.16018 0.16037 0.16044 0.16083 0.16113 0.16465 0.17642 0.18223 0.18719 0.19218 0.21068 0.21846 0.21922 0.22215 0.22293 0.22730 0.23913 0.23933 0.24602 0.24904 0.25104 0.25310 0.25930 0.27236 0.28470 0.28949 0.29234 0.29340 0.29420 0.29948 0.30442 0.32070 0.33061 0.33579 0.33786 0.33891 0.33927 0.33975 0.34003 0.34045 0.34056 0.34083 0.34100 0.34104 0.34134 0.34145 0.34167 0.34217 0.34236 0.34272 0.34295 0.34308 0.34316 0.34533 0.35035 0.35149 0.35170 0.35296 0.35494 0.36621 0.36724 0.37972 0.39608 0.42615 0.44118 0.46180 0.46865 0.48050 0.49249 0.57626 0.88693 RFO step: Lambda=-5.07633339D-09. 1 2 0.00086308 0.00000033 0.00000020 0.00000001 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 3.44520 3.43059 2.40340 2.79657 2.79150 2.78920 2.94877 2.93913 2.89915 2.09559 2.91910 2.09560 2.09197 2.92095 2.10037 2.09704 2.11759 2.08740 2.92143 2.09741 2.09765 2.81588 2.91791 2.09618 2.09683 2.08866 2.11597 2.08634 2.08600 2.11765 2.08769 2.59006 2.07336 2.08938 2.09083 2.09074 2.76979 2.07560 2.69589 2.70107 2.65998 2.65445 2.06776 2.65855 2.06398 2.66663 2.06571 1.96156 1.97731 1.95257 1.93244 1.91830 1.88676 1.90826 1.92093 1.89674 2.00020 1.88708 1.85961 1.91783 1.92473 1.86911 1.96551 1.90873 1.92427 1.90313 1.90109 1.85790 1.97452 1.94692 1.89717 1.90353 1.87567 1.86123 1.97724 1.90663 1.90798 1.90584 1.90778 1.85434 2.10278 2.12224 2.05797 1.97179 1.90455 1.90534 1.91170 1.91158 1.85523 1.91373 1.98018 1.91412 1.88215 1.88631 1.88483 1.92787 1.97271 1.91304 1.88368 1.87838 1.88526 2.11413 2.03397 2.13507 1.94713 1.93693 1.93648 1.88164 1.88109 1.87778 2.21668 2.02222 2.04428 2.12370 2.13527 2.02420 2.10580 2.02962 2.14777 2.13917 2.07378 2.07022 2.06164 2.10762 2.11392 2.06960 2.11092 2.10265 2.07515 2.08405 2.12398 2.76273 -1.36660 0.68076 -1.28596 0.86790 2.91525 -3.04992 1.12785 -0.98127 0.98579 -1.11962 3.05444 1.02261 -1.08983 3.08946 -3.02143 1.14932 -0.95459 2.95839 -1.17946 0.82461 -1.21473 0.93060 2.93468 0.85298 2.99830 -1.28081 -1.02936 3.07623 1.06494 3.13781 0.96022 -1.05106 1.05562 -1.12197 -3.13326 -1.37626 1.74435 0.74830 -2.41427 2.84538 -0.31719 -3.09117 -0.97235 1.06475 1.06335 -3.10102 -1.06392 -0.99314 1.12567 -3.12041 -3.13562 -1.00694 1.01541 1.02557 -3.12894 -1.10659 -0.99528 1.13340 -3.12744 -3.13889 1.01330 -1.00748 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0.00006 0.00008 0.00007 0.00003 0.00006 0.00005 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00005 -0.00009 -0.00007 -0.00011 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00003 0.00002 0.00007 0.00006 -0.00003 -0.00005 -0.00002 -0.00005 -0.00007 0.00003 -0.00005 0.00006 0.00000 0.00004 -0.00002 0.00002 0.00004 0.00006 -0.00006 -0.00004 -0.00001 0.00003 -0.00004 0.00000 0.00004 0.00003 0.00002 0.00001 -0.00001 0.00000 -0.00005 -0.00004 0.00000 -0.00004 0.00000 0.00001 0.00003 0.00001 0.00001 -0.00004 0.00005 0.00000 0.00001 0.00000 0.00000 -0.00002 0.00000 0.00000 0.00002 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00005 0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00003 0.00000 -0.00011 -0.00002 -0.00003 0.00001 0.00003 0.00003 -0.00003 0.00001 -0.00004 0.00001 0.00002 0.00001 0.00001 -0.00002 -0.00004 0.00002 -0.00004 0.00000 0.00000 0.00000 0.00001 0.00003 -0.00001 -0.00004 0.00000 0.00001 0.00002 -0.00001 0.00001 0.00002 0.00001 -0.00001 -0.00001 0.00000 0.00003 -0.00002 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00002 -0.00001 0.00002 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00002 0.00000 -0.00001 -0.00005 0.00006 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00004 -0.00004 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00002 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00002 0.00002 0.00001 0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00065 0.00066 0.00065 0.00049 0.00050 0.00050 -0.00017 -0.00018 -0.00017 -0.00002 -0.00004 -0.00003 0.00046 0.00043 0.00044 0.00026 0.00024 0.00024 -0.00013 -0.00009 -0.00012 -0.00014 -0.00010 -0.00014 -0.00015 -0.00011 -0.00015 0.00024 0.00023 0.00021 0.00022 0.00022 0.00019 0.00028 0.00027 0.00025 0.00014 0.00027 0.00014 0.00027 0.00011 0.00024 0.00018 0.00017 0.00017 0.00014 0.00013 0.00012 0.00020 0.00019 0.00018 0.00003 0.00005 0.00005 0.00006 0.00008 0.00008 0.00005 0.00006 0.00006 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 0.00003 0.00003 0.00003 -0.00001 -0.00006 -0.00015 -0.00019 -0.00005 -0.00005 -0.00006 -0.00005 -0.00006 -0.00006 -0.00006 -0.00007 -0.00007 0.00008 0.00013 0.00013 0.00018 0.00082 0.00085 0.00076 0.00080 -0.00002 0.00001 -0.00005 -0.00002 0.00000 0.00010 0.00003 0.00013 0.00002 0.00005 -0.00001 0.00002 -0.00001 0.00006 -0.00011 -0.00004 0.00001 0.00003 -0.00002 0.00000 0.00000 -0.00002 -0.00008 -0.00009 3.44520 3.43055 2.40340 2.79658 2.79153 2.78921 2.94878 2.93909 2.89919 2.09559 2.91910 2.09559 2.09197 2.92093 2.10037 2.09704 2.11761 2.08739 2.92143 2.09741 2.09764 2.81589 2.91790 2.09618 2.09683 2.08866 2.11597 2.08635 2.08601 2.11766 2.08768 2.59006 2.07337 2.08938 2.09083 2.09074 2.76975 2.07561 2.69587 2.70108 2.65999 2.65444 2.06776 2.65854 2.06398 2.66666 2.06571 1.96145 1.97729 1.95254 1.93245 1.91832 1.88679 1.90823 1.92093 1.89670 2.00021 1.88710 1.85962 1.91784 1.92471 1.86907 1.96553 1.90869 1.92427 1.90313 1.90109 1.85791 1.97455 1.94691 1.89713 1.90353 1.87568 1.86125 1.97723 1.90664 1.90800 1.90585 1.90777 1.85433 2.10278 2.12227 2.05794 1.97179 1.90455 1.90535 1.91170 1.91157 1.85523 1.91373 1.98016 1.91411 1.88217 1.88631 1.88484 1.92789 1.97270 1.91303 1.88370 1.87837 1.88527 2.11412 2.03392 2.13513 1.94713 1.93694 1.93648 1.88164 1.88109 1.87778 2.21672 2.02218 2.04429 2.12370 2.13527 2.02421 2.10581 2.02960 2.14777 2.13916 2.07378 2.07022 2.06165 2.10760 2.11394 2.06961 2.11093 2.10264 2.07517 2.08404 2.12397 2.76337 -1.36594 0.68141 -1.28547 0.86840 2.91575 -3.05009 1.12767 -0.98144 0.98577 -1.11966 3.05442 1.02307 -1.08940 3.08989 -3.02116 1.14955 -0.95434 2.95827 -1.17955 0.82449 -1.21487 0.93050 2.93454 0.85282 2.99819 -1.28096 -1.02912 3.07646 1.06515 3.13804 0.96044 -1.05087 1.05590 -1.12170 -3.13301 -1.37613 1.74462 0.74844 -2.41400 2.84549 -0.31695 -3.09099 -0.97218 1.06491 1.06348 -3.10089 -1.06380 -0.99295 1.12586 -3.12023 -3.13558 -1.00689 1.01546 1.02563 -3.12886 -1.10651 -0.99523 1.13346 -3.12738 -3.13887 1.01333 -1.00746 1.01518 -1.11581 -3.13660 -1.00660 -3.13758 1.12481 -0.01318 3.13240 -3.13368 0.01190 3.14048 1.04175 -1.04500 -1.01574 -3.11446 1.08197 1.01256 -1.08616 3.11026 3.13402 -0.00839 -0.01180 3.12898 3.09289 -0.05384 -0.04789 3.08857 -0.00713 3.13811 3.13929 0.00135 -3.13770 -0.00230 -0.00097 3.13443 -3.13888 0.00227 -0.00079 3.14036 0.00006 3.13906 -3.13535 0.00365 -3.14065 -0.00022 0.00139 -3.14136 3.14100 0.00057 0.00198 -3.13845 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000003 0.004888 0.000863 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.237731e-08 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 1 2 3 4 4 4 5 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 11 11 11 12 12 12 13 13 13 14 14 15 15 15 16 16 17 17 18 19 19 20 20 21 21 18 22 10 8 12 13 6 8 10 23 7 24 25 9 26 27 28 29 11 30 31 14 15 32 33 34 35 36 37 38 39 16 40 41 42 43 17 44 18 19 20 21 45 22 46 22 47 1.8231 1.8154 1.2718 1.4799 1.4772 1.476 1.5604 1.5553 1.5342 1.1089 1.5447 1.1089 1.107 1.5457 1.1115 1.1097 1.1206 1.1046 1.546 1.1099 1.11 1.4901 1.5441 1.1092 1.1096 1.1053 1.1197 1.104 1.1039 1.1206 1.1048 1.3706 1.0972 1.1057 1.1064 1.1064 1.4657 1.0984 1.4266 1.4293 1.4076 1.4047 1.0942 1.4068 1.0922 1.4111 1.0931 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 8 8 12 6 6 6 8 8 10 5 5 5 7 7 24 6 6 6 9 9 26 4 4 4 5 5 28 7 7 7 11 11 30 3 3 5 9 9 9 15 15 32 4 4 4 34 34 35 4 4 4 37 37 38 10 10 16 11 11 11 41 41 42 14 14 17 16 16 18 1 1 17 17 17 21 18 18 22 19 19 22 2 2 20 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 12 13 13 8 10 23 10 23 23 7 24 25 24 25 25 9 26 27 26 27 27 5 28 29 28 29 29 11 30 31 30 31 31 5 14 14 15 32 33 32 33 33 34 35 36 35 36 36 37 38 39 38 39 39 16 40 40 41 42 43 42 43 43 17 44 44 18 19 19 17 20 20 21 45 45 22 46 46 22 47 47 20 21 21 112.3889 113.2916 111.8742 110.7209 109.9103 108.1036 109.3351 110.0611 108.6752 114.6029 108.1215 106.5478 109.8834 110.2787 107.0921 112.6153 109.3622 110.2525 109.041 108.9245 106.4497 113.1318 111.5502 108.6997 109.0641 107.468 106.6409 113.2877 109.2419 109.3193 109.1964 109.3078 106.2458 120.4804 121.5955 117.9128 112.9752 109.1227 109.168 109.5321 109.5254 106.2967 109.6484 113.4558 109.6711 107.8395 108.0776 107.9927 110.459 113.0277 109.6093 107.9272 107.6235 108.0175 121.1308 116.5381 122.3307 111.5623 110.9782 110.9523 107.81 107.7783 107.5889 127.0065 115.8648 117.1287 121.6793 122.3418 115.9783 120.6532 116.2885 123.0579 122.5653 118.8191 118.6147 118.1235 120.7577 121.1188 118.5796 120.9471 120.4731 118.8973 119.4073 121.6954 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 12 12 12 13 13 13 8 8 8 13 13 13 8 8 8 12 12 12 8 8 8 10 10 10 23 23 23 6 6 6 10 10 10 23 23 23 6 6 8 8 23 23 5 5 5 24 24 24 25 25 25 6 6 6 26 26 26 27 27 27 7 7 7 30 30 30 31 31 31 3 3 5 5 9 9 9 32 32 32 33 33 33 10 10 40 40 14 14 44 44 16 16 19 19 16 16 18 18 1 1 17 17 17 17 45 45 18 18 46 46 19 19 47 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 16 16 16 16 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 8 8 8 8 8 8 12 12 12 12 12 12 13 13 13 13 13 13 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 5 28 29 5 28 29 34 35 36 34 35 36 37 38 39 37 38 39 7 24 25 7 24 25 7 24 25 4 28 29 4 28 29 4 28 29 3 14 3 14 3 14 9 26 27 9 26 27 9 26 27 11 30 31 11 30 31 11 30 31 15 32 33 15 32 33 15 32 33 16 40 16 40 41 42 43 41 42 43 41 42 43 17 44 17 44 18 19 18 19 1 20 1 20 21 45 21 45 22 46 22 46 22 47 22 47 2 21 2 21 2 20 2 158.2925 -78.3004 39.0045 -73.6803 49.7268 167.0317 -174.7476 64.6213 -56.2225 56.4815 -64.1496 175.0066 58.5915 -62.4426 177.0128 -173.115 65.8509 -54.6937 169.5034 -67.5783 47.2467 -69.5987 53.3196 168.1446 48.8719 171.7902 -73.3849 -58.9782 176.2551 61.0167 179.7835 55.0168 -60.2216 60.4826 -64.2842 -179.5226 -78.8541 99.944 42.8743 -138.3276 163.0284 -18.1735 -177.1109 -55.7118 61.0056 60.9254 -177.6754 -60.958 -56.903 64.4962 -178.7864 -179.6575 -57.6932 58.1788 58.7607 -179.275 -63.4029 -57.0253 64.9389 -179.189 -179.8452 58.0581 -57.7246 58.1651 -63.9316 -179.7143 -57.6752 -179.7719 64.4455 -0.7546 179.4767 -179.5385 0.6928 179.9389 59.6912 -59.8711 -58.1944 -178.4421 61.9956 58.0189 -62.2288 178.2089 179.5612 -0.4882 -0.6837 179.2669 177.1627 -3.134 -2.7874 176.916 -0.4079 179.7997 179.8709 0.0785 -179.7767 -0.137 -0.0575 179.5822 -179.8455 0.1272 -0.0447 179.928 0.0042 179.8516 -179.6362 0.2112 -179.947 -0.014 0.0804 -179.9867 179.9661 0.0335 0.118 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 317.1046999999998 AuxInfo=1/0/N:15,12,13,11,9,7,6,19,16,21,14,20,8,17,5,22,18,10,2,1,4,3/E:(2,3)/CRV:8.3,9.3,10.3,11.3,12.3,14.3,16.3,17.3,18.3,22.1/rA:47ClClO1NCCCCCC3CCCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s6;s4s5;s7;s3s5;s9;s4;s4;s10;s11;s14;s16;s1s17;s17;s18;s19;s2s20s21;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s12;s12;s12;s13;s13;s13;s14;s15;s15;s15;s16;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.375838 0.000000 5.050322 8.783924 0.000000 8.159567 11.291525 4.341999 0.000000 5.702772 9.289307 2.418001 2.484652 0.000000 6.024208 10.262568 3.017552 2.974320 1.542466 0.000000 5.052397 9.721382 3.514638 4.415657 2.554147 1.534245 0.000000 7.046242 10.174056 2.978396 1.458519 1.538031 2.557695 3.924682 0.000000 5.943485 10.926349 4.676357 5.382971 3.931575 2.562148 1.532289 5.118636 0.000000 4.690117 8.278488 1.229388 3.793270 1.529625 2.528280 2.997940 2.476512 4.404581 0.000000 5.610824 10.781408 5.619905 6.824534 5.145028 3.952820 2.593175 6.472812 1.530601 5.360506 0.000000 9.420405 12.273153 5.219260 1.463762 3.782456 4.297946 5.795636 2.402614 6.679526 4.875388 8.162156 0.000000 8.179239 10.959503 5.161731 1.463917 2.930776 3.541149 4.700362 2.402642 5.740266 4.314699 7.055361 2.402560 0.000000 3.669471 6.820214 2.380867 4.822577 2.567575 3.636806 3.658599 3.585358 5.130467 1.493304 5.782661 5.933806 4.968274 0.000000 6.950860 12.173971 6.905662 7.873166 6.457037 5.114331 3.943954 7.669870 2.553189 6.755653 1.520593 9.134685 8.153308 7.276110 0.000000 3.094409 5.968291 2.817271 6.038928 3.807864 4.765161 4.622417 4.707574 5.975624 2.459052 6.421184 7.047946 6.263156 1.340397 7.894059 0.000000 2.735688 4.495331 4.290392 7.241597 5.059937 6.031013 5.707971 5.978093 7.029569 3.854102 7.258300 8.258356 7.258997 2.492943 8.737748 1.473809 0.000000 1.729360 4.000353 5.149062 8.145212 5.826481 6.556318 5.912202 6.952782 7.071406 4.705659 7.005176 9.281726 8.085030 3.368381 8.431285 2.498354 1.386690 0.000000 4.024531 3.999733 5.083926 7.682878 5.778390 6.957062 6.835093 6.435357 8.232806 4.644376 8.561730 8.542555 7.628191 3.321006 10.056873 2.443164 1.387800 2.415991 0.000000 2.685274 2.703840 6.505380 9.338802 7.096232 7.871163 7.193301 8.182281 8.324026 6.031340 8.146497 10.455040 9.157831 4.629107 9.536980 3.768059 2.402315 1.394812 2.789729 0.000000 4.518541 2.702867 6.454000 8.938520 7.056893 8.208051 7.969277 7.747498 9.330879 5.983725 9.518280 9.804820 8.757251 4.594831 11.000446 3.731746 2.403001 2.789749 1.394870 2.416013 0.000000 3.990430 1.721078 7.063272 9.694766 7.634236 8.610901 8.125286 8.531708 9.371160 6.573215 9.334186 10.691060 9.461803 5.129447 10.766362 4.247331 2.774253 2.415887 2.415905 1.394847 1.394840 0.000000 5.551000 8.837966 3.265496 2.783786 1.095642 2.155725 2.779437 2.173655 4.217644 2.132990 5.289508 4.149755 2.641638 2.537905 6.654150 3.877342 4.897124 5.586303 5.558568 6.751282 6.728459 7.253389 0.000000 6.465755 10.843516 2.817233 3.271416 2.172510 1.097582 2.156111 2.775145 2.768560 2.795466 4.191955 4.355284 4.192499 4.132687 5.192215 5.094685 6.469149 7.042547 7.402777 8.406698 8.710774 9.154867 3.064602 0.000000 6.909904 11.037785 4.039404 2.659567 2.183058 1.095952 2.149724 2.819614 2.790335 3.482941 4.243790 3.981444 3.068116 4.512029 5.229758 5.724066 6.929880 7.439807 7.798123 8.708002 9.016158 9.423292 2.503414 1.762773 0.000000 4.870356 9.286850 4.149403 4.608105 2.793445 2.162528 1.096747 4.230207 2.157441 3.354132 2.855400 6.059099 4.543595 3.642165 4.246977 4.680602 5.562795 5.670164 6.651267 6.847265 7.679531 7.765074 2.569432 3.062339 2.489180 0.000000 4.171252 9.014828 2.961967 4.995392 2.778501 2.170595 1.095881 4.203525 2.137930 2.613784 2.774383 6.323190 5.370240 3.126017 4.206636 3.849978 4.937956 5.094800 6.147465 6.417350 7.281336 7.396754 3.104482 2.521003 3.062656 1.760789 0.000000 7.102751 9.656587 3.244853 2.120371 2.170357 3.503358 4.718812 1.099001 6.035116 2.683562 7.305501 2.686189 2.680704 3.459476 8.581412 4.480390 5.630885 6.739302 5.863724 7.879992 7.145668 8.056959 2.502952 3.780029 3.819080 4.895885 4.862588 0.000000 7.349257 10.658575 2.684701 2.092916 2.155635 2.816671 4.215617 1.098633 5.254206 2.670400 6.636008 2.601812 3.352427 4.002047 7.750316 4.938898 6.317822 7.319532 6.806578 8.603483 8.171603 8.978792 3.066643 2.588055 3.209951 4.760468 4.373321 1.756994 0.000000 6.418422 11.483334 4.529348 5.494177 4.179884 2.748076 2.152353 5.179615 1.097531 4.539238 2.146312 6.654161 6.108750 5.479355 2.782562 6.237241 7.410180 7.537786 8.606826 8.847063 9.774009 9.880585 4.711698 2.499642 3.065668 3.056428 2.506846 6.150972 5.084377 0.000000 6.830288 11.649517 5.406896 5.234466 4.236729 2.802059 2.148999 5.272519 1.097361 5.024574 2.152046 6.501957 5.473529 5.787895 2.756381 6.768212 7.813392 7.891561 8.955399 9.111375 10.046964 10.116739 4.411981 3.114883 2.582353 2.475320 3.040082 6.239945 5.496881 1.756634 0.000000 4.901624 10.210840 5.283998 7.205844 5.268175 4.241159 2.844659 6.639490 2.156424 5.164620 1.096323 8.528389 7.526454 5.491518 2.144681 5.919623 6.713082 6.388131 8.062866 7.533145 8.997282 8.764635 5.491635 4.370552 4.771939 3.224791 2.582584 7.398035 6.718229 2.481290 3.056558 0.000000 5.367784 10.333988 6.025485 6.997966 5.285885 4.260934 2.813738 6.692656 2.155589 5.561151 1.096483 8.402487 7.002715 5.751565 2.142316 6.426644 7.098951 6.740641 8.378019 7.778661 9.233859 8.967754 5.201732 4.743607 4.469683 2.636303 3.065622 7.446752 7.021540 3.052290 2.514041 1.760610 0.000000 10.268417 13.156975 6.209055 2.114729 4.591301 4.898063 6.359098 3.360814 7.095582 5.820441 8.588070 1.095784 2.663041 6.858784 9.450555 8.027582 9.212708 10.187749 9.510148 11.346719 10.742570 11.599702 4.847226 4.991821 4.357332 6.563856 7.015863 3.701383 3.604202 7.096276 6.754832 9.068247 8.800662 0.000000 9.564651 11.947823 5.458906 2.134182 4.155585 4.980847 6.431455 2.701021 7.466412 5.071700 8.905557 1.096076 2.692887 5.954181 9.972682 6.997065 8.111523 9.225877 8.218180 10.323568 9.433951 10.417116 4.406991 5.109897 4.785714 6.614052 6.860161 2.518508 2.989511 7.491940 7.357838 9.207579 9.085641 1.777506 0.000000 9.634600 12.681434 5.056552 2.114797 4.067376 4.434504 5.968318 2.659597 6.747664 4.974971 8.254023 1.095789 3.362801 6.194156 9.159722 7.205847 8.509442 9.554546 8.835781 10.784327 10.153081 11.054339 4.674310 4.215502 4.240947 6.413690 6.412495 3.048951 2.380318 6.543714 6.646617 8.554165 8.629605 1.756098 1.777486 0.000000 7.519548 10.526963 5.078627 2.132293 2.676269 3.084792 3.976260 2.763071 5.005253 4.107647 6.218320 3.363558 1.094039 4.628382 7.337175 5.964546 6.896692 7.565846 7.402377 8.628257 8.485398 9.045761 2.127381 3.947243 2.565781 3.647033 4.721720 3.176886 3.755885 5.530042 4.710841 6.737793 6.062159 3.610023 3.744235 4.212889 0.000000 8.140420 10.393940 5.302859 2.136678 3.251850 4.226370 5.309902 2.642017 6.508513 4.393233 7.752578 2.761211 1.096094 4.808541 8.949754 6.035094 6.904109 7.817974 7.088233 8.799552 8.158203 8.952594 2.818542 4.895988 3.956210 5.073389 5.833625 2.449885 3.650705 6.909318 6.347371 8.133071 7.636882 3.154515 2.598611 3.760338 1.783078 0.000000 9.183816 11.924108 6.186675 2.111347 3.953883 4.329481 5.470377 3.357074 6.331029 5.382174 7.656626 2.587826 1.096790 6.053310 8.629357 7.354746 8.327788 9.124982 8.674808 10.170729 9.768981 10.465489 3.667470 4.928506 3.640556 5.284772 6.248722 3.654452 4.183280 6.697566 5.893697 8.236842 7.585370 2.373506 2.938016 3.605118 1.738687 1.770593 0.000000 3.845814 6.629637 3.322926 4.795206 2.717052 3.816413 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3.885128 3.577061 6.873543 6.201435 8.786608 8.273248 0.000000 9.916748 13.261751 5.322219 2.180061 4.322443 4.993355 6.461797 2.811701 7.344701 5.263601 8.803522 1.119723 2.796260 6.495173 9.808688 7.535745 8.851765 9.917281 9.326906 11.201661 10.670098 11.521026 4.695280 5.129561 4.565310 6.624381 7.040372 2.816147 2.909097 7.436393 7.064555 9.224817 8.928456 1.798246 0.000000 9.779795 13.376941 4.864184 2.121090 3.980027 4.123018 5.638199 2.681715 6.249047 4.954007 7.778716 1.104046 3.398245 6.358295 8.619790 7.402756 8.808857 9.869593 9.362831 11.210555 10.755828 11.589521 4.643663 3.985516 3.634839 6.042329 6.262838 3.279259 2.303094 6.149756 5.947894 8.229899 8.082006 1.788255 1.799008 0.000000 9.108719 10.971687 5.111091 2.129795 2.827142 3.504051 4.275702 2.727593 5.359674 4.178499 6.442862 3.403323 1.103865 4.757628 7.650167 6.087092 7.073389 8.422838 6.993092 9.484944 8.215853 9.370364 2.206561 4.417023 3.096534 3.819982 4.975360 2.987403 3.770309 5.995033 5.089916 6.922853 6.153933 3.655735 3.826886 4.229343 0.000000 9.450251 11.728874 5.422934 2.174466 3.663825 4.659986 5.736656 2.803864 6.869106 4.772154 8.073833 2.803710 1.120612 5.509856 9.273952 6.696608 7.750641 8.979015 7.850883 10.088157 9.077892 10.109981 3.344780 5.325518 4.293769 5.452201 6.324157 2.553489 3.727824 7.339908 6.618636 8.494320 7.878095 3.135259 2.691853 3.820008 1.798836 0.000000 10.589617 12.734233 6.215536 2.119782 4.095654 4.506128 5.500580 3.416156 6.297927 5.519745 7.508735 2.656939 1.104755 6.349949 8.504558 7.660175 8.744339 10.057253 8.748477 11.172370 9.986782 11.117941 3.805486 5.218766 3.757672 5.190892 6.341843 3.726307 4.216426 6.815549 5.777675 8.139359 7.292414 2.402846 3.095147 3.651445 1.782537 1.800584 0.000000 5.267119 6.915544 3.356833 5.031475 2.724335 3.564367 3.348322 4.037750 4.838338 2.210228 5.356926 6.385988 5.079135 1.097177 6.894642 2.165830 2.850036 4.260601 2.821903 5.275094 4.174130 5.214417 2.316314 4.194922 4.390009 3.109644 2.896548 4.060485 4.650887 5.347466 5.463767 5.085485 5.201517 7.151369 6.698273 6.658193 4.325860 5.302710 6.041699 0.000000 10.596415 11.399413 8.374028 8.755408 7.389656 6.089514 4.781004 8.635770 3.540136 7.764454 2.204891 9.834328 9.162572 7.743339 1.105653 8.403681 8.827485 9.813461 8.565147 10.479290 9.297281 10.223068 7.409565 6.281072 6.261603 4.940743 4.926775 9.547490 8.789345 3.820941 3.819583 2.530918 2.529882 10.020280 10.822060 9.684353 8.466304 10.141797 9.398972 7.432693 0.000000 11.037930 12.308044 8.016584 7.639059 6.730510 5.304540 4.282514 7.764887 2.842373 7.409587 2.198101 8.593999 8.072637 7.678017 1.106419 8.560334 9.223947 10.340416 9.039798 11.171133 9.955376 10.975021 6.793324 5.521666 5.190807 4.467889 4.804295 8.763826 7.911467 3.167004 2.615587 3.108114 2.548555 8.645344 9.641986 8.447086 7.497131 9.125738 8.162470 7.372042 1.787445 0.000000 10.159427 11.835951 7.494556 7.999517 6.749880 5.304021 4.284599 7.839507 2.843359 7.104883 2.197739 8.913817 8.668380 7.376983 1.106373 8.042252 8.709173 9.660059 8.728273 10.510180 9.642782 10.483573 7.026092 5.216837 5.480072 4.815575 4.467246 8.826027 7.792289 2.618946 3.164103 2.546544 3.108049 9.143093 9.920888 8.592217 8.144834 9.667130 8.933136 7.289997 1.787048 1.785508 0.000000 2.632217 6.696501 2.482162 6.418100 4.156750 4.929761 5.066986 4.992289 6.319670 2.635840 6.932175 7.379909 6.981880 2.097240 8.304732 1.098360 2.196107 2.726548 3.497270 4.132099 4.679776 4.909253 4.536922 4.845854 5.970980 5.450400 4.242645 4.842756 4.983583 6.292474 7.162388 6.346849 7.205699 8.384400 7.504028 7.286016 6.607939 7.043950 8.046749 3.099257 8.870647 8.989912 8.313567 0.000000 5.005983 4.947941 5.139641 7.117700 4.864252 5.537186 4.912081 6.161772 6.187830 4.192961 6.211233 8.490770 6.979780 2.746668 7.708139 2.755145 2.179029 3.418750 1.094213 3.916624 2.154675 3.408580 4.350154 6.138368 6.363700 4.513537 4.251621 6.065992 6.767697 6.763072 6.922444 5.707604 5.887521 9.225881 8.751199 8.799439 6.114365 7.107958 7.890123 2.144898 7.967210 8.324969 8.196871 3.838117 0.000000 2.859602 2.922769 7.295952 10.891966 8.547361 9.259043 8.835471 9.554227 9.930475 7.187858 9.888560 11.985645 11.102933 5.972873 11.182853 4.703914 3.476562 2.178700 3.914693 1.092212 3.452544 2.181831 8.514765 9.351697 10.304852 8.903779 7.832452 9.237845 9.730428 10.060611 10.906885 9.003443 9.933266 12.949315 12.024907 12.025534 10.493120 11.024802 12.155306 6.306895 11.322260 12.071755 11.313273 4.816899 5.008836 0.000000 5.726820 2.927532 7.435224 9.566169 7.354883 7.972558 7.177364 8.625697 8.271709 6.612842 7.952894 10.940846 9.309136 5.129607 9.320342 4.713805 3.474962 3.905156 2.178826 3.448338 1.093127 2.179616 6.800378 8.547372 8.790559 6.720601 6.452430 8.444898 9.227977 8.861129 9.046233 7.313435 7.527867 11.659947 11.149049 11.278817 8.399959 9.354890 10.179016 4.633432 9.323651 10.021245 9.858412 5.641710 2.490959 4.352555 0.000000 0.2569625 0.0853869 0.0739834 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= 263 263 264 264 265 MxSgAt= 47 MxSgA2= 47. 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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 47 47 47 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= 18145 NPrTT= 88945 LenC2= 14354 LenP2D= 42861. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 286 RedAO= T EigKep= 5.96D-04 NBF= 286 NBsUse= 286 1.00D-06 EigRej= -1.00D+00 NBFU= 286 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= 266 266 266 266 266 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 0 1 -1749.13642573380 -1749.23276363762 -0.096337903815 -1749.53590863210 -0.303144994485 -1746.76568581836 2.770222813746 -1749.28678631211 -2.521100493754 -1749.62397442454 -0.337188112434 -1749.64073889441 -0.016764469871 -1749.64485139054 -0.004112496130 -1749.64528538229 -0.000433991746 -1749.64529215345 -0.000006771159 -1749.64553237170 -0.000240218247 -1749.64553723692 -0.000004865225 -1749.64553601131 0.000001225607 -1749.64553880178 -0.000002790469 -1749.64553884275 -0.000000040966 -1749.64553884503 -0.000000002282 -1749.64553884530 -0.000000000269 -1749.64553884537 -0.000000000067 -1749.64553884533 0.000000000037 -1749.64553885 19 1.744183732079e+03 -8.059388407425e+03 2.593459109047e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 267464 IEndB= 267464 NGot= 402653184 MDV= 402484443 LenX= 402484443 LenY= 402402206 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. 1.17488406e-01 8.97113513e-01 -8.62399048e-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 17 17 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.022704641 -0.031779974 0.003598121 0.041408927 -0.002790604 -0.015830379 -0.008076166 -0.002458431 0.050511759 -0.006164892 -0.001276718 -0.004834733 -0.001279471 -0.001590764 0.005358006 0.002527033 -0.006226024 0.000165455 0.000967726 -0.005216586 0.001784383 -0.003886468 -0.009957066 0.006680022 -0.004271784 0.001798422 -0.000125396 0.004875561 0.000429756 -0.046444438 0.004970051 0.005375461 -0.001666504 -0.009569778 -0.003514017 0.003329774 -0.011900791 -0.004265143 -0.008270616 -0.012734509 0.004729875 0.001071887 -0.001391484 -0.002051719 0.000371939 0.013526482 -0.006658534 0.007176305 -0.031469880 0.004920658 0.007465153 0.026640034 0.015709885 -0.006735441 0.014388654 0.009251799 -0.003337898 0.009077517 -0.012676385 -0.005138247 0.007428003 0.015535155 -0.000121788 -0.029347770 0.002150185 0.011199209 0.001995315 0.001167157 -0.006296648 -0.001902727 0.002170560 0.006176669 -0.004746776 0.005661323 -0.002819492 0.004373561 -0.000174198 -0.008087345 0.007728863 -0.000239868 0.004574420 0.011474457 0.011021598 -0.002484652 -0.001951201 -0.001949657 0.004663868 -0.004135155 0.000848689 0.007267609 -0.007605596 0.000475358 -0.004827234 0.007040946 -0.000314931 0.004538551 0.005231943 0.000182036 -0.006955634 -0.003868438 0.000646726 -0.004747293 0.007574756 0.013209091 -0.000322629 0.000297227 -0.001413922 0.006144517 0.003828780 -0.005925698 0.000134627 0.011861320 0.008980796 -0.003369031 -0.005219524 0.003261211 -0.001061625 0.000790070 0.000041713 -0.008072412 0.001461507 -0.007416109 -0.000720355 -0.006214497 -0.000100211 -0.004501016 -0.004298408 -0.000995368 0.006307599 -0.008732953 -0.000103406 0.008982910 -0.004067900 0.002389843 0.001796982 0.001475909 -0.004043185 -0.001223671 0.004596163 0.003181221 -0.001305287 0.050511759 0.010479953 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -1749.67724216630 -1749.67726020739 -0.000018041085 -1749.67750452725 -0.000244319860 -1749.67750810491 -0.000003577663 -1749.67750661800 0.000001486912 -1749.67750853035 -0.000001912349 -1749.67750863387 -0.000000103521 -1749.67750863807 -0.000000004202 -1749.67750863842 -0.000000000350 -1749.67750863849 -0.000000000069 -1749.67750864 10 1.742732606022e+03 -7.946610153206e+03 2.537872953441e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 267464 IEndB= 267464 NGot= 402653184 MDV= 402484443 LenX= 402484443 LenY= 402402206 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. (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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5PY 5PZ 6PX 6PY 6PZ 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 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 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 1 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|3 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 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 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|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 0.74384 1.22400 0.97491 1.00970 1.09249 0.92885 1.80341 1.80150 1.78240 0.22701 0.22772 0.22889 0.93418 0.90391 0.66433 0.95454 0.94920 0.57460 0.74384 1.22401 0.97473 1.01016 1.09101 0.92793 1.78546 1.80090 1.80102 0.22857 0.22786 0.22729 0.70429 0.89533 0.90300 0.62503 0.94234 0.91649 1.13254 0.85914 0.97612 0.86510 1.32209 0.98383 1.05781 0.45183 0.36043 0.21286 1.15937 0.83096 0.82993 0.73010 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33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Cl Cl O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H -0.025480 -0.029274 -0.221740 -0.085274 -0.186488 -0.410403 -0.361589 -0.427511 -0.354252 0.141688 -0.357703 -0.616410 -0.624667 -0.306598 -0.696002 -0.262816 0.596087 -0.306197 -0.364046 -0.223397 -0.233697 -0.103507 0.199251 0.214746 0.243589 0.174788 0.201446 0.197652 0.245817 0.192899 0.189247 0.196217 0.191710 0.218365 0.190101 0.231485 0.225051 0.190717 0.222128 0.219129 0.214754 0.209789 0.211817 0.291844 0.239261 0.285336 0.262134 0.00000 -1.29945787e-01 7.53161646e-02 -1.46508018e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.3303 0.1914 -3.7239 3.7434 -148.5849 -147.3488 -151.1021 -4.4891 2.0234 -3.9318 0.4270 1.6631 -2.0901 -4.4891 2.0234 -3.9318 -223.1217 24.9457 -111.3928 -86.2455 33.2858 -9.5824 -48.9391 -8.4699 -30.7387 5.6442 -13983.0584 -4052.4025 -1795.3010 436.2846 -260.6010 467.4682 -360.2774 -456.5248 -361.0871 -2949.7568 -2524.0520 -979.3117 -136.4803 -142.6483 168.8337 0 -1749.6775086 9.814E-9 5.372E-6 0.3174658,1.2365022,-1.553968,-3.3375491,1.5043419,-2.9231735 C01 [X(C18H25Cl2N1O1)] -0.1299458 0.0753162 -1.4650802 @ -0.000001586 0.000001574 0.000005671 -0.000009507 0.000003315 0.000002849 0.000000018 0.000004895 -0.000001911 0.000001060 -0.000009681 0.000001779 -0.000009174 0.000012846 -0.000004470 0.000006699 0.000002950 0.000000750 -0.000006396 -0.000014361 -0.000001858 0.000002351 -0.000004993 -0.000003928 0.000005298 0.000008144 -0.000002059 -0.000000371 -0.000010535 0.000017419 -0.000001620 -0.000000225 -0.000003997 -0.000001206 0.000004760 0.000002088 -0.000000094 0.000001287 0.000003012 0.000014113 -0.000000057 -0.000003704 0.000001954 0.000004014 -0.000003962 0.000012552 -0.000006276 -0.000010688 -0.000004212 0.000009105 0.000022543 -0.000011913 -0.000004559 -0.000010182 0.000003543 -0.000002540 -0.000010807 0.000005180 0.000000780 -0.000006041 -0.000014141 0.000001957 -0.000000826 0.000019687 -0.000000608 0.000010821 0.000002645 0.000001844 -0.000000562 -0.000002696 -0.000002688 -0.000001477 -0.000000093 -0.000001063 0.000000326 -0.000001199 0.000003621 -0.000000799 -0.000001503 -0.000001605 0.000000214 0.000000113 0.000001480 0.000003688 -0.000001986 -0.000000606 -0.000000071 -0.000002335 -0.000000473 -0.000000228 0.000000125 -0.000002409 -0.000001096 0.000002176 -0.000000236 -0.000000733 0.000001135 -0.000001087 -0.000002328 -0.000001367 -0.000001302 0.000000664 0.000000258 -0.000001724 0.000000829 -0.000001179 -0.000002496 0.000000599 -0.000000201 -0.000001360 -0.000001601 0.000000832 0.000001301 0.000001740 -0.000000405 0.000000329 0.000000203 -0.000004325 0.000000664 -0.000001772 0.000001676 -0.000000643 -0.000004155 0.000000698 -0.000000805 -0.000002690 0.000000891 -0.000000293 -0.000002704 -0.000002914 0.000000941 0.000003086 -0.000002809 0.000003401 0.000002659 -0.000002259 0.000000564 0.000004144 0.000002485 0.000002855 -0.000000434 317.1046999999998 AuxInfo=1/0/N:15,12,13,11,9,7,6,19,16,21,14,20,8,17,5,22,18,10,2,1,4,3/E:(2,3)/CRV:8.3,9.3,10.3,11.3,12.3,14.3,16.3,17.3,18.3,22.1/rA:47ClClO1NCCCCCC3CCCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s6;s4s5;s7;s3s5;s9;s4;s4;s10;s11;s14;s16;s1s17;s17;s18;s19;s2s20s21;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s12;s12;s12;s13;s13;s13;s14;s15;s15;s15;s16;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2075 CBGUSER 000135448 EM64L-G09RevD.01 10-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 135 C1[X(C18H25Cl2NO)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 317.1046999999998 0 1 AuxInfo=1/0/N:15,12,13,11,9,7,6,19,16,21,14,20,8,17,5,22,18,10,2,1,4,3/E:(2,3)/CRV:8.3,9.3,10.3,11.3,12.3,14.3,16.3,17.3,18.3,22.1/rA:47ClClO1NCCCCCC3CCCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s6;s4s5;s7;s3s5;s9;s4;s4;s10;s11;s14;s16;s1s17;s17;s18;s19;s2s20s21;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s12;s12;s12;s13;s13;s13;s14;s15;s15;s15;s16;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-22368.inp" -scrdir="/scratch/" chk=000135448-Freq.chk nprocshared=4 mem=3GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000135448 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 35 35 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 15.9949146 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 (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| 0.000110 0.000033 0.095902 0.025108 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.700095e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1916.3270837084 286 652 286 91 91 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 47 47 47 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 0 317.1046999999998 AuxInfo=1/0/N:15,12,13,11,9,7,6,19,16,21,14,20,8,17,5,22,18,10,2,1,4,3/E:(2,3)/CRV:8.3,9.3,10.3,11.3,12.3,14.3,16.3,17.3,18.3,22.1/rA:47ClClO1NCCCCCC3CCCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s6;s4s5;s7;s3s5;s9;s4;s4;s10;s11;s14;s16;s1s17;s17;s18;s19;s2s20s21;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s12;s12;s12;s13;s13;s13;s14;s15;s15;s15;s16;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.516989 0.000000 4.977429 8.990661 0.000000 9.004713 11.879196 4.305944 0.000000 6.779194 9.561545 2.439394 2.533278 0.000000 7.507634 10.219073 3.174899 3.027292 1.560421 0.000000 7.451580 9.500028 3.990706 4.392563 2.613065 1.544721 0.000000 7.560021 10.742435 2.873404 1.479883 1.555319 2.563459 3.961083 0.000000 8.576868 10.542005 5.191747 5.311285 3.983651 2.571319 1.545703 5.122556 0.000000 5.265333 8.494732 1.271824 3.857715 1.534162 2.533588 3.173612 2.520460 4.579653 0.000000 8.915904 10.190681 6.285102 6.712903 5.194778 3.958132 2.582363 6.487398 1.545952 5.599414 0.000000 9.903310 13.153717 5.093957 1.477201 3.818705 4.191661 5.651763 2.457131 6.398117 4.951494 7.874942 0.000000 9.506230 11.779266 5.214282 1.475981 3.153865 3.844776 4.906363 2.468997 5.911754 4.501253 7.142208 2.446484 0.000000 4.493739 7.047631 2.413241 5.009175 2.591210 3.491182 3.527129 3.784015 4.989766 1.490098 5.648969 6.232407 5.325523 0.000000 10.208443 11.466565 7.559264 7.780224 6.528897 5.147652 3.961019 7.694681 2.576376 6.990786 1.544092 8.805511 8.272796 7.141878 0.000000 3.142304 6.130341 2.866472 6.239442 3.860489 4.673691 4.608416 4.909611 5.947168 2.492125 6.444316 7.362328 6.609973 1.370602 7.893980 0.000000 2.830376 4.664683 4.329669 7.513438 5.129908 5.891524 5.554846 6.248753 6.826730 3.888754 7.039019 8.700870 7.712377 2.538740 8.483668 1.465711 0.000000 1.823122 4.086767 5.174120 8.731933 6.376659 7.119747 6.809500 7.392449 7.997415 5.009648 8.151008 9.832663 9.001835 3.816684 9.524691 2.525812 1.426602 0.000000 4.127325 4.095326 5.281074 7.817034 5.484921 6.191301 5.620147 6.724196 6.866612 4.545589 6.872317 9.126358 7.785420 3.058078 8.335391 2.536308 1.429343 2.421692 0.000000 2.752858 2.782664 6.565139 9.976339 7.616041 8.333198 7.875777 8.681721 9.010339 6.320692 8.977918 11.124892 10.135638 5.025983 10.318650 3.831042 2.491444 1.407599 2.822484 0.000000 4.633973 2.793312 6.646478 9.168795 6.869611 7.537613 6.851469 8.106563 8.002425 5.948639 7.811528 10.491603 9.050369 4.462083 9.209965 3.832105 2.485467 2.812051 1.404677 2.461007 0.000000 4.068340 1.815389 7.176231 10.147730 7.803916 8.491884 7.870828 8.972261 8.990775 6.692183 8.805050 11.399960 10.134331 5.260154 10.155481 4.314970 2.849297 2.414009 2.420915 1.406844 1.411119 0.000000 7.067813 9.208414 3.306162 2.806408 1.108939 2.177168 2.762072 2.198186 4.206302 2.161693 5.228602 4.241859 2.872279 2.626864 6.633650 3.989210 5.047781 6.395869 5.125986 7.519071 6.450417 7.518139 0.000000 7.360457 10.581373 2.876096 3.464951 2.177406 1.108941 2.186578 2.843861 2.829991 2.696182 4.265695 4.338104 4.565689 3.848921 5.294233 4.827614 6.135649 7.226254 6.646936 8.504183 8.005196 8.824001 3.079443 0.000000 8.572568 11.161141 4.070479 2.526409 2.155088 1.107023 2.190209 2.651785 2.803660 3.457472 4.253942 3.622335 3.318454 4.446903 5.267861 5.694694 6.896664 8.161038 7.105084 9.358693 8.433952 9.455866 2.554836 1.782378 0.000000 7.794035 9.255598 4.592592 4.474144 2.829216 2.181734 1.111467 4.200841 2.178425 3.550437 2.814375 5.854677 4.642729 3.624540 4.250159 4.796801 5.575584 6.922038 5.378444 7.883918 6.542341 7.696397 2.521840 3.101310 2.552627 0.000000 6.486706 8.598410 3.617087 5.078156 2.883310 2.191888 1.109708 4.350793 2.175605 2.867063 2.798215 6.331269 5.622737 2.927386 4.240152 3.789254 4.662373 5.846567 4.817751 6.901882 6.035592 6.959744 3.094960 2.536728 3.109933 1.779142 0.000000 7.274128 10.458492 3.016277 2.159634 2.193911 3.529114 4.791619 1.120582 6.080542 2.713058 7.364967 2.897810 2.687671 3.775169 8.650069 4.774312 6.050582 7.130089 6.557004 8.394405 7.901173 8.710709 2.558768 3.825274 3.711283 4.915784 5.037405 0.000000 7.497113 11.169104 2.586367 2.111489 2.161147 2.774650 4.263961 1.104601 5.260112 2.725071 6.696624 2.546229 3.397381 4.172994 7.803900 5.127487 6.554883 7.576959 7.215659 8.929587 8.615876 9.367082 3.087207 2.603054 2.943041 4.752465 4.569015 1.784597 0.000000 8.491208 10.933661 5.041079 5.567690 4.274852 2.794936 2.179870 5.275854 1.109898 4.696715 2.179497 6.487303 6.400891 5.277520 2.804618 6.106005 7.077647 8.134363 7.316295 9.211136 8.481188 9.345288 4.747978 2.598079 3.112156 3.094384 2.535211 6.271024 5.178479 0.000000 9.523908 11.445330 5.788890 5.042188 4.249038 2.800038 2.180967 5.168705 1.110026 5.148391 2.181036 6.044940 5.576051 5.693777 2.802572 6.775358 7.704095 8.932420 7.688656 9.959670 8.838347 9.895622 4.403416 3.165903 2.575318 2.528594 3.092573 6.187772 5.358233 1.775773 0.000000 8.120720 9.361812 6.042991 7.170937 5.327789 4.244752 2.809311 6.721993 2.178059 5.422648 1.109248 8.364735 7.645538 5.290404 2.181728 5.881511 6.357039 7.363552 6.236263 8.137521 7.112140 8.004899 5.407136 4.444203 4.785586 3.142352 2.567528 7.516933 6.882256 2.530596 3.094099 0.000000 9.189936 9.946380 6.677403 6.771203 5.304967 4.247516 2.807549 6.637377 2.178906 5.815111 1.109597 8.027715 6.968816 5.700583 2.181902 6.568301 7.041177 8.230181 6.661406 8.968938 7.526182 8.633127 5.103939 4.798782 4.455906 2.582286 3.114947 7.445997 7.018468 3.093691 2.536682 1.775500 0.000000 10.938314 13.989631 6.112088 2.121730 4.611410 4.785495 6.146585 3.407749 6.727670 5.880909 8.175676 1.105273 2.671893 7.109532 8.991085 8.302435 9.608196 10.790705 9.935592 12.057878 11.282575 12.258830 4.899113 5.008704 4.007032 6.265203 6.951579 3.885128 3.577061 6.873543 6.201434 8.786608 8.273248 0.000000 9.916748 13.261751 5.322219 2.180062 4.322443 4.993355 6.461797 2.811701 7.344700 5.263601 8.803522 1.119724 2.796261 6.495173 9.808689 7.535745 8.851765 9.917281 9.326906 11.201662 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3.344780 5.325518 4.293769 5.452201 6.324157 2.553489 3.727824 7.339908 6.618636 8.494320 7.878095 3.135260 2.691853 3.820008 1.798836 0.000000 10.589617 12.734233 6.215536 2.119782 4.095654 4.506128 5.500580 3.416156 6.297927 5.519745 7.508735 2.656939 1.104755 6.349949 8.504559 7.660175 8.744339 10.057253 8.748477 11.172370 9.986782 11.117941 3.805486 5.218766 3.757673 5.190892 6.341843 3.726307 4.216426 6.815549 5.777674 8.139360 7.292415 2.402845 3.095147 3.651445 1.782537 1.800584 0.000000 5.267119 6.915545 3.356833 5.031475 2.724335 3.564367 3.348322 4.037750 4.838339 2.210229 5.356926 6.385988 5.079135 1.097177 6.894643 2.165830 2.850036 4.260601 2.821903 5.275094 4.174130 5.214417 2.316313 4.194922 4.390009 3.109644 2.896548 4.060486 4.650887 5.347466 5.463767 5.085486 5.201517 7.151368 6.698273 6.658193 4.325860 5.302709 6.041699 0.000000 10.596415 11.399413 8.374028 8.755408 7.389657 6.089514 4.781005 8.635770 3.540137 7.764455 2.204892 9.834328 9.162572 7.743339 1.105652 8.403681 8.827485 9.813461 8.565148 10.479291 9.297281 10.223068 7.409565 6.281072 6.261603 4.940743 4.926776 9.547490 8.789345 3.820941 3.819583 2.530918 2.529882 10.020280 10.822061 9.684353 8.466304 10.141797 9.398972 7.432693 0.000000 11.037931 12.308045 8.016585 7.639059 6.730510 5.304540 4.282515 7.764887 2.842373 7.409588 2.198101 8.593999 8.072637 7.678017 1.106420 8.560335 9.223948 10.340417 9.039799 11.171134 9.955376 10.975021 6.793324 5.521666 5.190807 4.467889 4.804295 8.763826 7.911468 3.167004 2.615588 3.108114 2.548555 8.645344 9.641987 8.447086 7.497132 9.125738 8.162470 7.372043 1.787445 0.000000 10.159427 11.835951 7.494557 7.999517 6.749880 5.304021 4.284599 7.839507 2.843360 7.104883 2.197738 8.913817 8.668380 7.376983 1.106372 8.042252 8.709173 9.660059 8.728273 10.510180 9.642782 10.483573 7.026092 5.216837 5.480072 4.815575 4.467246 8.826027 7.792289 2.618947 3.164103 2.546543 3.108049 9.143093 9.920889 8.592217 8.144834 9.667130 8.933137 7.289998 1.787047 1.785508 0.000000 2.632218 6.696501 2.482162 6.418099 4.156750 4.929761 5.066986 4.992289 6.319669 2.635840 6.932174 7.379908 6.981880 2.097240 8.304731 1.098360 2.196106 2.726548 3.497269 4.132099 4.679776 4.909253 4.536922 4.845853 5.970979 5.450400 4.242644 4.842756 4.983583 6.292473 7.162387 6.346849 7.205699 8.384400 7.504028 7.286015 6.607939 7.043949 8.046748 3.099257 8.870647 8.989912 8.313567 0.000000 5.005984 4.947941 5.139641 7.117699 4.864252 5.537186 4.912081 6.161772 6.187830 4.192961 6.211233 8.490769 6.979779 2.746667 7.708138 2.755144 2.179030 3.418750 1.094214 3.916625 2.154676 3.408581 4.350154 6.138367 6.363699 4.513536 4.251620 6.065992 6.767697 6.763072 6.922443 5.707604 5.887521 9.225880 8.751199 8.799437 6.114365 7.107957 7.890123 2.144898 7.967210 8.324969 8.196870 3.838117 0.000000 2.859601 2.922770 7.295951 10.891965 8.547360 9.259043 8.835470 9.554227 9.930475 7.187857 9.888560 11.985644 11.102932 5.972873 11.182852 4.703913 3.476562 2.178699 3.914692 1.092212 3.452544 2.181831 8.514765 9.351696 10.304851 8.903778 7.832451 9.237845 9.730427 10.060611 10.906884 9.003443 9.933266 12.949315 12.024907 12.025533 10.493120 11.024801 12.155305 6.306895 11.322261 12.071755 11.313273 4.816899 5.008836 0.000000 5.726820 2.927532 7.435224 9.566168 7.354883 7.972558 7.177364 8.625698 8.271709 6.612842 7.952895 10.940846 9.309136 5.129607 9.320342 4.713805 3.474963 3.905157 2.178826 3.448338 1.093127 2.179617 6.800378 8.547372 8.790559 6.720601 6.452429 8.444899 9.227977 8.861128 9.046233 7.313435 7.527868 11.659947 11.149049 11.278816 8.399959 9.354889 10.179017 4.633432 9.323651 10.021246 9.858412 5.641710 2.490960 4.352555 0.000000 C18H25Cl2NO 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 0 317.1046999999998 AuxInfo=1/0/N:15,12,13,11,9,7,6,19,16,21,14,20,8,17,5,22,18,10,2,1,4,3/E:(2,3)/CRV:8.3,9.3,10.3,11.3,12.3,14.3,16.3,17.3,18.3,22.1/rA:47ClClO1NCCCCCC3CCCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;s6;s4s5;s7;s3s5;s9;s4;s4;s10;s11;s14;s16;s1s17;s17;s18;s19;s2s20s21;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s12;s12;s12;s13;s13;s13;s14;s15;s15;s15;s16;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2569625 0.0853869 0.0739834 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= 18145 NPrTT= 88945 LenC2= 14354 LenP2D= 42861. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 286 RedAO= T EigKep= 5.96D-04 NBF= 286 NBsUse= 286 1.00D-06 EigRej= -1.00D+00 NBFU= 286 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= 266 266 266 266 266 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 0 1 -1749.19202458978 -1748.61795741798 0.574067171793 -1749.00858865181 -0.390631233822 -1747.83109325282 1.177495398989 -1749.63290937519 -1.801816122373 -1749.59346418761 0.039445187579 -1749.67244693532 -0.078982747713 -1749.67680678065 -0.004359845323 -1749.67705500337 -0.000248222727 -1749.67711178702 -0.000056783647 -1749.67712413662 -0.000012349597 -1749.67713007822 -0.000005941597 -1749.67740057104 -0.000270492821 -1749.67740525905 -0.000004688018 -1749.67740435351 0.000000905545 -1749.67740556194 -0.000001208428 -1749.67740560984 -0.000000047900 -1749.67740561076 -0.000000000927 -1749.67740561091 -0.000000000142 -1749.67740561098 -0.000000000075 -1749.67740561097 0.000000000008 -1749.67740561 21 1.742732938527e+03 -7.946610297338e+03 2.537872869491e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 267940 IEndB= 267940 NGot= 402653184 MDV= 402483967 LenX= 402483967 LenY= 402401730 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= 47. Will process 48 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 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= 402652424 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= 670000000 NMat= 144 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= 144 NMatS0= 144 NMatT0= 0 NMatD0= 144 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 1.77D-14 1.00D-09 XBig12= 1.03D+03 2.61D+01. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 1.77D-14 1.00D-09 XBig12= 2.46D+02 4.00D+00. 141 vectors produced by pass 2 Test12= 1.77D-14 1.00D-09 XBig12= 1.12D+00 1.24D-01. 141 vectors produced by pass 3 Test12= 1.77D-14 1.00D-09 XBig12= 1.28D-03 4.14D-03. 78 vectors produced by pass 4 Test12= 1.77D-14 1.00D-09 XBig12= 1.95D-07 4.46D-05. 7 vectors produced by pass 5 Test12= 1.77D-14 1.00D-09 XBig12= 3.01D-11 4.84D-07. 2 vectors produced by pass 6 Test12= 1.77D-14 1.00D-09 XBig12= 5.29D-15 6.84D-09. InvSVY: IOpt=1 It= 1 EMax= 2.31D-14 Solved reduced A of dimension 651 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 255.25 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 377.258 -31.559 190.152 12.134 -31.373 198.338 639.417 -65.105 286.341 33.607 -97.986 390.604 (Enter /mnt/data/applications/G09/g09/l716.exe) PT6125.700S 2017-07-10T04:03:40.000+02:00 -100.72380 -100.72206 -18.74929 -13.98879 -9.99479 -9.99461 -9.98350 -9.95680 -9.94795 -9.94553 -9.94417 -9.93562 -9.92271 -9.91550 -9.91082 -9.90851 -9.90703 -9.88749 -9.88707 -9.88649 -9.88443 -9.87795 -9.20277 -9.20104 -7.02862 -7.02690 -7.01486 -7.01428 -7.01309 -7.01259 -0.94233 -0.84547 -0.83456 -0.81039 -0.77554 -0.74317 -0.73157 -0.70741 -0.70249 -0.68280 -0.66016 -0.63570 -0.61760 -0.60294 -0.58631 -0.56914 -0.54591 -0.52928 -0.51132 -0.50935 -0.48477 -0.47617 -0.45632 -0.44168 -0.43563 -0.41885 -0.41644 -0.41565 -0.41181 -0.40105 -0.39723 -0.38839 -0.38158 -0.37920 -0.36864 -0.36786 -0.35641 -0.35509 -0.35012 -0.34385 -0.33835 -0.33410 -0.32913 -0.32362 -0.32082 -0.31614 -0.31295 -0.30438 -0.30294 -0.28976 -0.28719 -0.28380 -0.28351 -0.27783 -0.27378 -0.27118 -0.26332 -0.25011 -0.22328 -0.19967 -0.16000 -0.12219 -0.07328 -0.04998 -0.04969 -0.01062 0.01325 0.07131 0.07344 0.08158 0.08774 0.09133 0.09588 0.10552 0.10750 0.11348 0.11454 0.11887 0.12886 0.13299 0.13571 0.13843 0.14287 0.14769 0.15454 0.15604 0.16117 0.16568 0.17167 0.17242 0.17856 0.17981 0.18112 0.18825 0.19044 0.19825 0.20146 0.20416 0.21193 0.21822 0.22147 0.22781 0.23555 0.23868 0.24333 0.24757 0.25176 0.25680 0.26000 0.26593 0.26769 0.27096 0.28021 0.28179 0.28945 0.29790 0.30389 0.30774 0.30837 0.31186 0.31581 0.31990 0.32644 0.33169 0.33788 0.33846 0.34321 0.34350 0.35501 0.35697 0.36152 0.36883 0.37173 0.37530 0.37660 0.38242 0.38767 0.38950 0.39411 0.40247 0.41243 0.42492 0.43909 0.44301 0.45634 0.46953 0.48001 0.48327 0.48713 0.48824 0.50096 0.51347 0.51717 0.52195 0.52598 0.53351 0.54437 0.56298 0.56694 0.57769 0.59277 0.60541 0.62050 0.62776 0.66008 0.66645 0.66850 0.68515 0.69465 0.70938 0.71532 0.73743 0.74969 0.77826 0.78948 0.80184 0.80633 0.81965 0.84543 0.85447 0.85716 0.88062 0.90195 0.91364 0.91474 0.92281 0.94688 0.95092 0.95903 0.96389 0.98068 0.99956 1.00860 1.01168 1.01921 1.02919 1.04511 1.05565 1.06063 1.07459 1.08595 1.09399 1.09747 1.10721 1.12064 1.12745 1.13885 1.15633 1.16554 1.17429 1.18612 1.20222 1.22596 1.23223 1.25741 1.26857 1.27921 1.30211 1.34428 1.35479 1.38116 1.39807 1.47892 1.50904 1.52888 1.73713 5.85216 5.86453 5.88340 5.88814 5.89720 5.92021 8.77769 8.84816 22.26580 22.44328 22.47825 22.51447 22.53743 22.54251 22.56400 22.59252 22.59715 22.62240 22.64212 22.65138 22.67347 22.67886 22.69715 22.70778 22.73734 22.76359 31.53262 41.56410 217.67563 217.75948 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 Cl Cl O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H -0.025463 -0.029313 -0.221789 -0.085238 -0.186278 -0.410639 -0.361444 -0.427639 -0.354202 0.141832 -0.357617 -0.616452 -0.624550 -0.306642 -0.696012 -0.262811 0.596016 -0.306214 -0.363938 -0.223367 -0.233762 -0.103424 0.199215 0.214755 0.243627 0.174734 0.201407 0.197642 0.245842 0.192859 0.189228 0.196193 0.191674 0.218362 0.190074 0.231477 0.225027 0.190689 0.222098 0.219157 0.214751 0.209789 0.211809 0.291803 0.239259 0.285318 0.262155 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 Cl Cl O N C C C C C C C C C C C C C C C C C C -0.025463 -0.029313 -0.221789 -0.085238 0.012937 0.047743 0.014696 0.015846 0.027885 0.141832 0.030250 0.023462 0.013265 -0.087486 -0.059664 0.028993 0.596016 -0.306214 -0.124679 0.061951 0.028394 -0.103424 0.00000 2.24861804e-01 4.08603213e-01 -1.39684283e+00 3.77258407e+02 -3.15594265e+01 1.90152469e+02 1.21344542e+01 -3.13730193e+01 1.98337802e+02 -10.2130 -5.5321 -0.0017 -0.0013 -0.0011 3.9722 8.1181 9.7121 18.2938 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 6.1808 7.4883 17.9446 31.4668 33.0775 41.8721 51.3781 63.0713 84.0162 103.6493 105.6603 118.3502 137.8761 149.0329 160.6117 172.6251 188.0615 201.8385 207.3349 214.1013 222.5765 228.5943 266.4278 268.4552 298.2103 342.9808 348.6352 357.5066 370.1589 396.2251 401.9728 435.7451 439.2470 448.5197 507.7128 548.9501 561.2719 631.7728 659.0327 681.2971 718.4109 725.8210 732.6533 761.2107 813.2408 818.1572 825.3535 851.4275 864.9474 871.0540 893.4107 897.9349 919.0941 956.4992 972.0243 995.9556 1016.9881 1019.7458 1024.8942 1033.4881 1038.9918 1056.9550 1066.2746 1077.1819 1084.1563 1089.4722 1099.5984 1103.4684 1121.3341 1136.3941 1138.1085 1176.0359 1198.6720 1216.6414 1237.3891 1248.8128 1263.8579 1268.7894 1273.4305 1284.2985 1286.9044 1288.3988 1301.1174 1308.7635 1316.0222 1327.3214 1341.5988 1351.7706 1360.1819 1367.3270 1387.5318 1389.3364 1418.0901 1440.3134 1456.7693 1460.9514 1462.4234 1462.6628 1464.0551 1471.6302 1473.6893 1476.6496 1476.6951 1480.4121 1485.4673 1487.5915 1544.2058 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