Gaussian 09 GINC-KIMIK2028 CBGUSER 000134222 EM64L-G09RevD.01 13-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 307.6690999999998 0 1 AuxInfo=1/0/N:22,23,19,12,15,18,17,9,21,8,13,5,16,11,20,10,6,7,14,1,4,3,2/E:(1,2)/CRV:3.3,5.3,6.3,7.3,9.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3/rA:46ClONNCC3C3CCC3C3CCC3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s3;s3;s3;;s8;s6s8;s7s9;s5;s4s12;s2s10;s6;s7;s11;s14;s15s18;s1s16;s17s20;s4;s4;s5;s5;s8;s8;s9;s9;s12;s12;s13;s13;s15;s16;s17;s18;s19;s21;s22;s22;s22;s23;s23;s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-19040.inp" -scrdir="/scratch/" chk=000134222.chk nprocshared=4 mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000134222 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 35 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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 1 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 8 9 9 9 10 11 12 12 12 13 13 14 15 15 16 16 17 17 18 18 19 20 21 22 22 22 23 23 23 20 14 46 5 6 7 13 22 23 12 24 25 10 15 11 16 9 10 26 27 11 28 29 14 17 13 30 31 32 33 18 19 34 20 35 21 36 19 37 38 21 39 40 41 42 43 44 45 1.721 1.3651 0.9725 1.4717 1.419 1.4221 1.4578 1.464 1.4641 1.5282 1.095 1.0967 1.4048 1.412 1.4162 1.4209 1.52 1.5013 1.0908 1.0962 1.5141 1.0981 1.0988 1.4064 1.4174 1.5319 1.0962 1.0967 1.0988 1.0892 1.3919 1.3961 1.0883 1.3971 1.0861 1.3895 1.089 1.3879 1.0864 1.0861 1.3814 1.0862 1.0961 1.0968 1.094 1.096 1.0958 1.0957 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 14 5 5 6 13 13 22 3 3 3 12 12 24 3 3 10 3 3 11 9 9 9 10 10 26 8 8 8 11 11 28 6 6 8 7 7 9 5 5 5 13 13 30 4 4 4 12 12 32 2 2 10 6 6 19 7 7 20 11 11 21 14 14 19 15 15 18 1 1 16 17 17 20 4 4 4 40 40 41 4 4 4 43 43 44 2 3 3 3 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 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 22 22 22 23 23 23 23 23 23 46 6 7 7 22 23 23 12 24 25 24 25 25 10 15 15 11 16 16 10 26 27 26 27 27 11 28 29 28 29 29 8 14 14 9 17 17 13 30 31 30 31 31 12 32 33 32 33 33 10 18 18 19 34 34 20 35 35 21 36 36 19 37 37 18 38 38 16 21 21 20 39 39 40 41 42 41 42 42 43 44 45 44 45 45 109.3975 113.819 117.6286 128.1598 110.6246 110.6273 110.2737 110.7145 112.5174 112.6603 111.9261 105.7191 102.8895 121.6876 120.6404 117.6703 124.2476 119.3151 116.3972 109.8456 111.716 108.0632 111.4214 110.752 104.9018 116.2465 110.7449 106.3557 108.3095 107.998 106.7424 120.2628 120.344 119.3914 125.9486 119.6939 114.3571 114.5999 109.0355 110.221 110.974 107.2203 104.2812 111.9517 110.5771 110.8514 108.4429 109.2476 105.5403 121.4482 117.7413 120.8098 121.6769 120.8498 117.4317 123.0107 121.3437 115.6284 122.0207 119.8768 118.1002 119.6161 121.0945 119.289 119.8827 119.9698 120.1458 120.1789 120.0818 119.7347 119.1231 119.5404 121.3365 112.3886 110.2116 112.1035 107.706 108.964 105.1249 112.1787 110.543 110.5851 108.401 108.4307 106.5028 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 46 46 6 6 6 7 7 7 5 5 7 7 5 5 6 6 22 22 22 23 23 23 13 13 13 23 23 23 13 13 13 22 22 22 3 3 3 24 24 24 25 25 25 3 3 15 15 3 3 10 10 3 3 16 16 3 3 11 11 10 10 10 26 26 26 27 27 27 9 9 26 26 27 27 8 8 28 28 29 29 6 6 8 8 7 7 9 9 5 5 5 30 30 30 31 31 31 2 2 10 10 6 6 34 34 7 7 35 35 11 11 36 36 14 14 37 37 1 1 16 16 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 20 20 20 20 14 14 5 5 5 5 5 5 6 6 6 6 7 7 7 7 13 13 13 13 13 13 22 22 22 22 22 22 23 23 23 23 23 23 12 12 12 12 12 12 12 12 12 10 10 10 10 15 15 15 15 11 11 11 11 16 16 16 16 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 14 14 14 14 17 17 17 17 13 13 13 13 13 13 13 13 13 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 19 19 19 19 21 21 21 21 10 18 12 24 25 12 24 25 10 15 10 15 11 16 11 16 12 32 33 12 32 33 40 41 42 40 41 42 43 44 45 43 44 45 13 30 31 13 30 31 13 30 31 8 14 8 14 19 34 19 34 9 17 9 17 20 35 20 35 11 28 29 11 28 29 11 28 29 6 14 6 14 6 14 7 17 7 17 7 17 2 18 2 18 21 36 21 36 4 32 33 4 32 33 4 32 33 19 37 19 37 18 38 18 38 1 21 1 21 20 39 20 39 15 38 15 38 17 39 17 39 -179.9278 -0.2116 116.7309 -117.1876 -1.4174 -69.8704 56.2112 171.9813 -136.6461 42.868 50.7965 -129.6894 160.1351 -22.2551 -27.5513 150.0585 -62.7008 58.3397 175.0336 174.8015 -64.158 52.5359 -54.3741 -174.5176 68.7631 68.3298 -51.8137 -168.533 61.6458 -59.4722 -177.1686 -61.0565 177.8255 60.1291 -57.6961 177.2455 63.3432 175.8928 50.8345 -63.0678 64.6023 -60.4561 -174.3584 -0.1074 179.4001 -179.6354 -0.1279 -179.5072 2.8976 0.026 -177.5692 -3.5968 176.1656 178.7298 -1.5077 -177.254 1.1717 0.5403 178.9661 75.4687 -48.6773 -164.2839 -48.7042 -172.8501 71.5433 -163.6051 72.249 -43.3576 -67.3652 113.1226 56.9786 -122.5336 173.3423 -6.1699 -25.7167 154.5098 99.6736 -80.0999 -145.0779 35.1486 179.8195 0.112 -0.6688 179.6237 1.557 -179.0034 -178.6541 0.7855 -57.9795 179.7533 65.1971 66.0537 -56.2135 -170.7697 179.3445 57.0773 -57.4789 -179.7067 0.0685 0.0114 179.7865 0.0954 -179.4343 177.7693 -1.7604 179.6927 0.4757 1.1839 -178.0331 -0.5128 179.5454 -179.9619 0.0963 -0.1134 179.4154 -179.8927 -0.3638 -179.713 0.2277 -0.4952 179.4455 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 264 276 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 17766 NPrTT= 88961 LenC2= 15833 LenP2D= 50004. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 284 RedAO= T EigKep= 3.52D-04 NBF= 284 NBsUse= 284 1.00D-06 EigRej= -1.00D+00 NBFU= 284 Using GEDIIS/GDIIS optimizer. local minimum Step number 13 out of a maximum of 264 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00163 0.00215 0.00396 0.00424 0.00836 0.00875 0.01016 0.01233 0.01365 0.01421 0.01595 0.01642 0.01868 0.01935 0.01994 0.02027 0.02036 0.02060 0.02112 0.02148 0.02190 0.02193 0.02201 0.02223 0.02224 0.02283 0.02373 0.02442 0.02569 0.03537 0.03587 0.04375 0.04776 0.04936 0.05278 0.05459 0.05580 0.05670 0.06618 0.07025 0.07082 0.07450 0.07532 0.08242 0.08922 0.09063 0.09473 0.09678 0.09937 0.11895 0.12115 0.12760 0.13053 0.15498 0.15929 0.15969 0.15995 0.15998 0.15999 0.16002 0.16008 0.16023 0.16032 0.16073 0.16138 0.16179 0.16299 0.17750 0.18528 0.19996 0.20852 0.21466 0.22241 0.22529 0.22715 0.23195 0.23574 0.24035 0.24380 0.24627 0.25003 0.25372 0.26116 0.28153 0.29669 0.30047 0.30438 0.30577 0.31462 0.32210 0.33815 0.33866 0.33907 0.33995 0.34056 0.34098 0.34119 0.34130 0.34141 0.34165 0.34171 0.34365 0.34554 0.34704 0.34887 0.34921 0.35049 0.35089 0.35246 0.35280 0.35485 0.35787 0.35965 0.36476 0.36762 0.38516 0.39053 0.40305 0.41026 0.41300 0.41433 0.42663 0.44288 0.45145 0.45776 0.46215 0.47494 0.47650 0.50364 0.51057 0.51943 0.53255 RFO step: Lambda=-2.38455674D-08. 1 2 0.00050662 0.00000018 0.00000014 0.00000007 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 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 3.46400 2.67107 1.86872 2.81802 2.72434 2.70644 2.80394 2.78989 2.79144 2.92181 2.09884 2.08408 2.68176 2.68675 2.71888 2.70514 2.92281 2.85207 2.09285 2.08181 2.89151 2.09505 2.09298 2.67866 2.68034 2.91895 2.09365 2.08928 2.11600 2.09020 2.67149 2.66088 2.06715 2.64399 2.06145 2.66413 2.07333 2.66873 2.07402 2.06969 2.65282 2.06469 2.11741 2.08784 2.08589 2.11633 2.08747 2.08859 1.92592 2.02423 2.07932 2.13229 1.97428 1.96955 1.95371 1.97130 1.95480 1.86635 1.93188 1.85688 1.87612 2.09497 2.08690 2.10056 2.17726 2.04694 2.05898 1.92863 1.90648 1.90618 1.91795 1.91658 1.88747 2.02880 1.88457 1.90148 1.91335 1.87724 1.85049 2.09230 2.06439 2.12594 2.20449 2.06363 2.01474 1.95002 1.88667 1.93931 1.92549 1.90145 1.85880 1.96804 1.94846 1.88191 1.90918 1.88635 1.86583 2.03210 2.12358 2.12738 2.09584 2.09242 2.09461 2.11279 2.10040 2.06954 2.16300 2.05549 2.06450 2.07477 2.10589 2.10252 2.10298 2.09140 2.08865 2.06657 2.08223 2.13436 2.03333 2.12541 2.12432 1.97246 1.91363 1.92768 1.88586 1.88182 1.87956 1.98175 1.91349 1.91304 1.88832 1.88121 1.88330 3.10263 -0.02212 2.33213 -1.75556 0.29541 -1.12784 1.06765 3.11863 -2.38038 0.71942 1.09012 -2.09326 2.78259 -0.35426 -0.69789 2.44845 -1.33278 0.82485 2.86931 2.70998 -1.41558 0.62888 -1.12772 3.05055 0.98202 1.12089 -0.98403 -3.05256 1.11784 -0.99638 -3.06058 -1.13325 3.03571 0.97152 -1.21550 2.94586 0.91217 2.85993 0.73810 -1.29559 0.82682 -1.29501 2.95449 -0.04657 3.13004 3.13714 0.03056 -3.11054 0.05765 -0.01088 -3.12587 -0.04987 3.12090 3.08694 -0.02547 -3.12995 -0.02120 0.01606 3.12481 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-0.00032 -0.00025 -0.00034 -0.00036 -0.00017 -0.00026 -0.00028 0.00009 0.00001 0.00006 -0.00002 -0.00002 -0.00004 0.00001 -0.00001 0.00003 0.00009 -0.00009 -0.00003 -0.00006 0.00003 0.00005 0.00014 -0.00007 -0.00004 -0.00006 -0.00006 -0.00004 -0.00005 -0.00005 -0.00002 -0.00004 -0.00010 -0.00002 -0.00011 -0.00003 -0.00011 -0.00003 0.00015 0.00009 0.00014 0.00008 0.00014 0.00008 0.00002 0.00003 -0.00006 -0.00005 -0.00002 -0.00002 0.00004 0.00004 0.00036 0.00029 0.00031 0.00051 0.00044 0.00046 0.00046 0.00038 0.00040 -0.00001 -0.00004 -0.00002 -0.00005 0.00000 0.00001 0.00002 0.00003 -0.00002 -0.00004 -0.00011 -0.00012 0.00004 0.00000 0.00004 0.00000 0.00001 0.00000 0.00003 0.00002 -0.00003 0.00001 -0.00001 0.00003 -0.00006 -0.00004 0.00000 -0.00005 0.00001 0.00005 0.00000 0.00001 0.00002 -0.00002 0.00003 -0.00001 0.00001 -0.00003 0.00000 -0.00005 0.00000 0.00002 0.00002 0.00000 0.00003 0.00001 0.00000 0.00000 0.00000 0.00006 0.00000 -0.00001 0.00001 0.00003 0.00004 0.00003 0.00000 0.00003 0.00001 0.00001 0.00001 -0.00002 0.00000 0.00001 0.00002 0.00000 0.00002 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00004 0.00005 -0.00003 -0.00013 0.00003 -0.00004 0.00000 -0.00005 0.00005 -0.00008 0.00003 0.00001 0.00003 -0.00006 0.00004 0.00002 -0.00004 -0.00001 0.00005 0.00000 0.00000 0.00001 -0.00004 0.00000 0.00002 0.00001 0.00000 0.00002 -0.00002 -0.00001 0.00000 -0.00003 0.00000 0.00003 0.00001 -0.00004 0.00002 0.00001 0.00003 -0.00005 0.00007 -0.00008 0.00002 0.00006 -0.00007 -0.00001 -0.00003 0.00002 0.00003 0.00000 0.00002 -0.00002 -0.00003 0.00006 -0.00004 -0.00001 0.00003 -0.00002 0.00001 -0.00001 0.00000 0.00000 -0.00002 0.00002 0.00002 -0.00003 0.00001 0.00000 0.00002 -0.00002 0.00001 0.00001 -0.00002 0.00001 -0.00002 0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00002 -0.00007 -0.00004 0.00010 0.00014 0.00016 -0.00028 -0.00024 -0.00022 -0.00011 -0.00016 0.00026 0.00020 0.00006 0.00006 -0.00030 -0.00030 0.00027 0.00022 0.00022 0.00028 0.00024 0.00023 0.00012 0.00013 0.00012 0.00009 0.00010 0.00008 -0.00011 -0.00009 -0.00011 -0.00011 -0.00009 -0.00012 0.00023 0.00012 0.00010 0.00018 0.00007 0.00005 0.00012 0.00001 -0.00001 0.00003 0.00000 0.00008 0.00005 0.00002 0.00002 -0.00005 -0.00004 -0.00007 -0.00006 -0.00007 -0.00006 0.00006 0.00007 0.00006 0.00006 -0.00018 -0.00016 -0.00017 -0.00014 -0.00012 -0.00013 -0.00017 -0.00015 -0.00016 -0.00012 -0.00009 -0.00014 -0.00011 -0.00014 -0.00011 0.00034 0.00033 0.00033 0.00032 0.00032 0.00031 0.00000 -0.00003 -0.00003 -0.00006 0.00002 0.00002 0.00003 0.00003 -0.00032 -0.00025 -0.00028 -0.00023 -0.00016 -0.00019 -0.00020 -0.00013 -0.00016 -0.00003 -0.00003 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00004 -0.00001 -0.00004 -0.00002 0.00003 0.00004 0.00002 0.00003 0.00001 0.00002 0.00001 0.00002 -0.00001 -0.00002 -0.00003 -0.00004 -0.00005 -0.00008 0.00001 -0.00008 0.00004 0.00010 -0.00002 0.00001 0.00003 0.00000 0.00005 0.00001 0.00005 -0.00003 -0.00001 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-0.00005 0.00025 0.00037 0.00031 -0.00032 -0.00021 -0.00027 -0.00021 -0.00024 0.00037 0.00034 0.00005 0.00016 -0.00053 -0.00041 0.00076 0.00079 0.00079 0.00078 0.00081 0.00081 0.00064 0.00063 0.00067 0.00054 0.00053 0.00057 -0.00022 -0.00017 -0.00019 -0.00019 -0.00014 -0.00016 0.00002 -0.00018 -0.00022 -0.00008 -0.00027 -0.00032 -0.00006 -0.00025 -0.00030 0.00012 0.00000 0.00014 0.00003 0.00000 -0.00002 -0.00004 -0.00005 -0.00004 0.00003 -0.00016 -0.00009 0.00000 0.00010 0.00011 0.00021 -0.00024 -0.00020 -0.00023 -0.00019 -0.00015 -0.00018 -0.00021 -0.00017 -0.00020 -0.00022 -0.00010 -0.00025 -0.00014 -0.00025 -0.00013 0.00049 0.00042 0.00047 0.00040 0.00045 0.00038 0.00002 0.00000 -0.00009 -0.00011 0.00000 0.00001 0.00006 0.00007 0.00004 0.00004 0.00003 0.00029 0.00028 0.00027 0.00026 0.00025 0.00024 -0.00004 -0.00007 -0.00002 -0.00005 0.00001 0.00001 0.00003 0.00002 -0.00006 -0.00005 -0.00015 -0.00014 0.00007 0.00004 0.00006 0.00003 0.00001 0.00002 0.00004 0.00005 -0.00003 -0.00001 -0.00004 -0.00001 3.46395 2.67098 1.86873 2.81794 2.72438 2.70654 2.80392 2.78990 2.79147 2.92181 2.09888 2.08409 2.68180 2.68672 2.71887 2.70510 2.92281 2.85208 2.09289 2.08183 2.89156 2.09506 2.09299 2.67866 2.68034 2.91905 2.09364 2.08930 2.11605 2.09024 2.67156 2.66092 2.06715 2.64402 2.06146 2.66415 2.07333 2.66871 2.07404 2.06970 2.65285 2.06471 2.11744 2.08785 2.08590 2.11636 2.08749 2.08860 1.92598 2.02429 2.07924 2.13214 1.97430 1.96944 1.95375 1.97117 1.95488 1.86634 1.93199 1.85690 1.87605 2.09484 2.08701 2.10057 2.17719 2.04697 2.05902 1.92867 1.90646 1.90618 1.91790 1.91658 1.88750 2.02881 1.88457 1.90151 1.91331 1.87722 1.85050 2.09223 2.06443 2.12597 2.20449 2.06362 2.01474 1.94992 1.88686 1.93925 1.92560 1.90135 1.85877 1.96814 1.94842 1.88188 1.90917 1.88630 1.86586 2.03210 2.12363 2.12732 2.09580 2.09252 2.09456 2.11279 2.10042 2.06953 2.16298 2.05549 2.06452 2.07477 2.10590 2.10250 2.10302 2.09138 2.08863 2.06659 2.08225 2.13432 2.03336 2.12539 2.12430 1.97250 1.91360 1.92768 1.88587 1.88183 1.87954 1.98176 1.91346 1.91305 1.88830 1.88123 1.88333 3.10255 -0.02217 2.33238 -1.75519 0.29572 -1.12816 1.06745 3.11836 -2.38059 0.71918 1.09049 -2.09292 2.78263 -0.35409 -0.69842 2.44804 -1.33202 0.82564 2.87011 2.71076 -1.41477 0.62970 -1.12708 3.05118 0.98268 1.12143 -0.98350 -3.05199 1.11762 -0.99655 -3.06076 -1.13344 3.03558 0.97136 -1.21548 2.94568 0.91195 2.85985 0.73783 -1.29591 0.82676 -1.29526 2.95419 -0.04646 3.13004 3.13728 0.03060 -3.11055 0.05763 -0.01091 -3.12592 -0.04991 3.12093 3.08678 -0.02556 -3.12995 -0.02110 0.01617 3.12502 1.21465 -0.94288 -2.94522 -0.89730 -3.05482 1.22602 -2.95840 1.16725 -0.83509 -1.20871 1.89671 0.89642 -2.28135 2.97055 -0.20721 -0.28680 2.82625 1.85576 -1.31437 -2.42293 0.69013 3.12750 -0.03100 0.02153 -3.13697 0.01720 3.13728 -3.09829 0.02179 -1.08351 3.02044 0.99499 1.01598 -1.16324 3.09448 3.05057 0.87134 -1.15412 3.13488 -0.01028 0.01108 -3.13408 -0.00969 -3.13172 3.10529 -0.01674 3.13837 0.00337 0.02896 -3.10604 0.00196 3.12623 -3.11801 0.00626 0.00966 3.13172 -3.12837 -0.00631 3.13576 0.01148 -0.01249 -3.13676 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000038 0.000007 0.002548 0.000507 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -3.720941e-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 R48 1 2 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 8 9 9 9 10 11 12 12 12 13 13 14 15 15 16 16 17 17 18 18 19 20 21 22 22 22 23 23 23 20 14 46 5 6 7 13 22 23 12 24 25 10 15 11 16 9 10 26 27 11 28 29 14 17 13 30 31 32 33 18 19 34 20 35 21 36 19 37 38 21 39 40 41 42 43 44 45 1.8331 1.4135 0.9889 1.4912 1.4417 1.4322 1.4838 1.4763 1.4772 1.5462 1.1107 1.1028 1.4191 1.4218 1.4388 1.4315 1.5467 1.5092 1.1075 1.1016 1.5301 1.1087 1.1076 1.4175 1.4184 1.5446 1.1079 1.1056 1.1197 1.1061 1.4137 1.4081 1.0939 1.3991 1.0909 1.4098 1.0972 1.4122 1.0975 1.0952 1.4038 1.0926 1.1205 1.1048 1.1038 1.1199 1.1046 1.1052 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 14 5 5 6 13 13 22 3 3 3 12 12 24 3 3 10 3 3 11 9 9 9 10 10 26 8 8 8 11 11 28 6 6 8 7 7 9 5 5 5 13 13 30 4 4 4 12 12 32 2 2 10 6 6 19 7 7 20 11 11 21 14 14 19 15 15 18 1 1 16 17 17 20 4 4 4 40 40 41 4 4 4 43 43 44 2 3 3 3 4 4 4 5 5 5 5 5 5 6 6 6 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 12 12 12 12 12 12 13 13 13 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 22 22 22 23 23 23 23 23 23 46 6 7 7 22 23 23 12 24 25 24 25 25 10 15 15 11 16 16 10 26 27 26 27 27 11 28 29 28 29 29 8 14 14 9 17 17 13 30 31 30 31 31 12 32 33 32 33 33 10 18 18 19 34 34 20 35 35 21 36 36 19 37 37 18 38 38 16 21 21 20 39 39 40 41 42 41 42 42 43 44 45 44 45 45 110.3471 115.98 119.1363 122.1713 113.1179 112.8469 111.9394 112.9469 112.0018 106.934 110.6884 106.3914 107.4939 120.0328 119.5703 120.3533 124.7476 117.2809 117.971 110.5024 109.233 109.2161 109.8905 109.8119 108.1443 116.2415 107.9779 108.9467 109.627 107.5578 106.0251 119.8802 118.2808 121.8074 126.3077 118.2371 115.4361 111.7279 108.0984 111.1144 110.3226 108.9451 106.5015 112.7605 111.6385 107.8257 109.3878 108.0801 106.9041 116.4307 121.6721 121.8899 120.0829 119.887 120.0126 121.054 120.3441 118.5759 123.9309 117.7707 118.2873 118.8753 120.6586 120.4658 120.4917 119.8283 119.6706 118.406 119.3033 122.2897 116.501 121.7769 121.7145 113.0134 109.6432 110.448 108.052 107.8205 107.6906 113.5461 109.635 109.6093 108.1927 107.7853 107.9052 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 46 46 6 6 6 7 7 7 5 5 7 7 5 5 6 6 22 22 22 23 23 23 13 13 13 23 23 23 13 13 13 22 22 22 3 3 3 24 24 24 25 25 25 3 3 15 15 3 3 10 10 3 3 16 16 3 3 11 11 10 10 10 26 26 26 27 27 27 9 9 26 26 27 27 8 8 28 28 29 29 6 6 8 8 7 7 9 9 5 5 5 30 30 30 31 31 31 2 2 10 10 6 6 34 34 7 7 35 35 11 11 36 36 14 14 37 37 1 1 16 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 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 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 12 12 12 12 12 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 20 20 20 14 14 5 5 5 5 5 5 6 6 6 6 7 7 7 7 13 13 13 13 13 13 22 22 22 22 22 22 23 23 23 23 23 23 12 12 12 12 12 12 12 12 12 10 10 10 10 15 15 15 15 11 11 11 11 16 16 16 16 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 14 14 14 14 17 17 17 17 13 13 13 13 13 13 13 13 13 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 19 19 19 19 21 21 21 10 18 12 24 25 12 24 25 10 15 10 15 11 16 11 16 12 32 33 12 32 33 40 41 42 40 41 42 43 44 45 43 44 45 13 30 31 13 30 31 13 30 31 8 14 8 14 19 34 19 34 9 17 9 17 20 35 20 35 11 28 29 11 28 29 11 28 29 6 14 6 14 6 14 7 17 7 17 7 17 2 18 2 18 21 36 21 36 4 32 33 4 32 33 4 32 33 19 37 19 37 18 38 18 38 1 21 1 21 20 39 20 39 15 38 15 38 17 39 17 177.7674 -1.2674 133.6212 -100.5862 16.9259 -64.6205 61.172 178.6842 -136.3858 41.2199 62.4594 -119.9348 159.4304 -20.2976 -39.9864 140.2856 -76.3626 47.2604 164.3996 155.2702 -81.1069 36.0323 -64.6135 174.7835 56.2655 64.2221 -56.381 -174.8989 64.0474 -57.0883 -175.3583 -64.9307 173.9337 55.6637 -69.6428 168.7852 52.2636 163.8618 42.2899 -74.2318 47.3732 -74.1988 169.2796 -2.6685 179.338 179.7447 1.7512 -178.2211 3.3029 -0.6231 -179.0991 -2.8575 178.8144 176.8688 -1.4594 -179.3329 -1.2144 0.9202 179.0387 69.6083 -54.0114 -168.7354 -51.4001 -175.0198 70.2562 -169.4918 66.8885 -47.8355 -69.2411 108.6796 51.3755 -130.7038 170.2143 -11.865 -16.4609 161.9081 106.3004 -75.3306 -138.8496 39.5194 179.1916 -1.7759 1.2388 -179.7287 0.9857 179.7524 -177.5225 1.2442 -62.0832 173.0566 57.0069 58.1951 -66.6652 177.2852 174.7702 49.9099 -66.1397 179.6177 -0.585 0.6357 -179.567 -0.5559 -179.4347 177.9182 -0.9606 179.8188 0.196 1.6679 -177.9549 0.1085 179.1173 -178.6523 0.3566 0.5528 179.4333 -179.2449 -0.3644 179.6675 0.6579 -0.713 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 307.6690999999998 AuxInfo=1/0/N:22,23,19,12,15,18,17,9,21,8,13,5,16,11,20,10,6,7,14,1,4,3,2/E:(1,2)/CRV:3.3,5.3,6.3,7.3,9.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3/rA:46ClONNCC3C3CCC3C3CCC3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s3;s3;s3;;s8;s6s8;s7s9;s5;s4s12;s2s10;s6;s7;s11;s14;s15s18;s1s16;s17s20;s4;s4;s5;s5;s8;s8;s9;s9;s12;s12;s13;s13;s15;s16;s17;s18;s19;s21;s22;s22;s22;s23;s23;s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 9.472435 0.000000 5.152027 4.883216 0.000000 7.787875 5.578409 3.543443 0.000000 5.261254 5.969240 1.471749 3.021107 0.000000 6.445281 3.694515 1.419005 3.609108 2.422071 0.000000 4.049461 5.493584 1.422100 4.629752 2.475803 2.555303 0.000000 6.941576 2.859055 2.908178 4.343488 4.157848 2.520536 3.076181 0.000000 6.039159 3.839087 3.106722 5.481787 4.521410 3.099697 2.610701 1.519972 0.000000 7.233498 2.417610 2.466057 4.001592 3.626586 1.404839 3.194441 1.501257 2.472532 0.000000 4.534307 5.102716 2.508987 5.436240 3.789659 3.143826 1.416247 2.576458 1.514057 3.187704 0.000000 5.419031 6.574010 2.468337 2.478204 1.528239 3.475908 3.087004 4.472477 4.958823 4.344053 4.237393 0.000000 6.594623 5.880886 3.000496 1.457817 2.575114 3.567485 3.722748 3.939194 4.802861 3.990802 4.513378 1.531870 0.000000 8.556581 1.365075 3.747812 4.729309 4.764465 2.438849 4.550656 2.510841 3.500330 1.406443 4.455564 5.541254 5.055887 0.000000 7.228485 4.135912 2.459627 4.060687 2.891429 1.412034 3.683137 3.797968 4.384813 2.410349 4.408371 4.174779 4.399807 2.771328 0.000000 2.707638 6.906403 2.453578 5.389966 2.843694 3.760700 1.420909 4.465673 3.855692 4.584695 2.411244 3.296514 4.341125 5.922596 4.655720 0.000000 3.979278 6.267981 3.782230 6.692652 4.908985 4.527924 2.450252 3.792274 2.464080 4.554859 1.417440 5.231707 5.620830 5.751785 5.727635 2.750633 0.000000 9.141531 2.360018 4.247951 5.082240 5.012081 2.829122 5.257535 3.798014 4.676351 2.433274 5.414320 5.993184 5.666464 1.391900 2.409609 6.513183 6.725464 0.000000 8.547253 3.632111 3.745797 4.783775 4.234655 2.452254 4.904427 4.299064 5.034738 2.798134 5.393784 5.409723 5.385139 2.402685 1.396146 5.974844 6.714084 1.387873 0.000000 1.721033 7.795442 3.754597 6.644958 4.231022 4.977485 2.476670 5.254015 4.318743 5.616662 2.813393 4.506558 5.475948 6.942529 5.922819 1.397104 2.389009 7.632056 7.187863 0.000000 2.693263 7.521033 4.275753 7.218867 5.096215 5.290369 2.856404 4.984415 3.776234 5.606486 2.455272 5.351815 6.036747 6.871302 6.378032 2.403070 1.389481 7.724522 7.508723 1.381429 0.000000 8.319499 6.904579 4.540024 1.464028 3.591741 4.725018 5.640259 5.777059 6.842869 5.330558 6.628331 2.931440 2.402537 5.992466 4.889382 6.143866 7.828376 6.120823 5.608380 7.413981 8.175763 0.000000 8.906633 5.246567 4.539695 1.464073 4.341961 4.333533 5.538180 4.414155 5.767180 4.261276 6.056226 3.775863 2.402613 4.720514 4.849202 6.471476 7.312877 5.202711 5.261664 7.644792 8.020449 2.402565 0.000000 4.718219 6.832680 2.144622 4.001773 1.094998 3.159166 2.774621 5.027177 5.147245 4.467572 4.184183 2.187299 3.524747 5.579910 3.389459 2.644509 5.108451 5.703831 4.762984 3.967017 5.035206 4.323062 5.380119 0.000000 6.289202 5.858592 2.147679 2.682822 1.096709 2.484031 3.414482 4.532864 5.140553 3.710159 4.640209 2.108657 2.803527 4.597585 2.473947 3.898526 5.857245 4.590312 3.680186 5.293393 6.135452 3.067743 4.022280 1.713932 0.000000 6.760203 3.639229 2.853631 3.649084 3.844126 2.821412 3.049902 1.090821 2.174203 2.154031 2.789101 3.797049 3.067846 3.252507 4.148840 4.320811 3.964442 4.453346 4.811175 5.148297 5.006457 5.080311 3.698770 4.794079 4.274490 0.000000 7.917918 2.374263 3.984693 4.947952 5.191090 3.426665 4.145599 1.096235 2.131980 2.149825 3.470416 5.421980 4.681199 2.590498 4.558218 5.519883 4.512669 3.979979 4.782825 6.216555 5.797071 6.409376 4.703175 6.095419 5.475262 1.733970 0.000000 6.462862 3.641732 3.586537 6.205511 5.057378 3.306435 3.168863 2.167648 1.098147 2.642576 2.131418 5.740231 5.676099 3.355479 4.367607 4.362838 2.874490 4.410019 4.831993 4.773503 4.170280 7.550869 6.499576 5.585908 5.584384 3.081360 2.558422 0.000000 6.379432 4.329945 4.058246 6.109182 5.401290 4.138584 3.403010 2.111459 1.098786 3.382757 2.127855 5.616785 5.326167 4.283646 5.449816 4.488302 2.548982 5.558415 6.047174 4.700300 3.907713 7.496147 6.233876 6.041034 6.071869 2.539362 2.303424 1.763078 0.000000 5.800912 7.499791 3.407177 2.801675 2.151702 4.350985 4.049583 5.539514 6.048317 5.311865 5.271898 1.096159 2.179515 6.426924 4.807142 4.011548 6.195898 6.732038 6.017042 5.169962 6.162271 2.669192 4.167512 2.457927 2.423713 4.848892 6.468348 6.805953 6.708166 0.000000 4.583150 7.033842 2.752714 3.394877 2.167194 3.995340 2.827823 4.605187 4.815036 4.764845 3.883170 1.096655 2.131655 6.079431 4.883525 2.741185 4.637490 6.682009 6.170792 3.741911 4.590833 3.897264 4.530380 2.551185 3.032347 3.890229 5.570237 5.670586 5.339788 1.731269 0.000000 6.909917 6.724031 3.989339 2.111544 3.498956 4.642255 4.499340 4.704570 5.522296 4.967384 5.201184 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AuxInfo=1/0/N:22,23,19,12,15,18,17,9,21,8,13,5,16,11,20,10,6,7,14,1,4,3,2/E:(1,2)/CRV:3.3,5.3,6.3,7.3,9.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3/rA:46ClONNCC3C3CCC3C3CCC3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s3;s3;s3;;s8;s6s8;s7s9;s5;s4s12;s2s10;s6;s7;s11;s14;s15s18;s1s16;s17s20;s4;s4;s5;s5;s8;s8;s9;s9;s12;s12;s13;s13;s15;s16;s17;s18;s19;s21;s22;s22;s22;s23;s23;s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 9.485251 0.000000 5.218569 4.884339 0.000000 7.835671 6.447003 3.818976 0.000000 5.313929 6.028386 1.491231 3.055609 0.000000 6.441707 3.704085 1.441656 4.214345 2.487097 0.000000 4.137129 5.443827 1.432186 4.918673 2.520841 2.515603 0.000000 7.090618 2.842300 2.893802 4.934169 4.177731 2.534916 3.095747 0.000000 6.183817 3.797070 3.162148 5.999904 4.596597 3.155243 2.649231 1.546684 0.000000 7.288832 2.406409 2.477944 4.721858 3.682426 1.419125 3.177422 1.509249 2.511025 0.000000 4.661859 5.033125 2.543642 5.835643 3.853279 3.129773 1.438767 2.612725 1.530123 3.178457 0.000000 5.335479 6.869603 2.532239 2.522084 1.546156 3.698848 3.139583 4.663967 5.096068 4.597506 4.325727 0.000000 6.630436 6.423645 3.140130 1.483779 2.558277 3.949182 3.904179 4.331091 5.120840 4.453169 4.769914 1.544643 0.000000 8.551720 1.413468 3.760396 5.591768 4.827100 2.435025 4.509620 2.557782 3.535106 1.417488 4.419654 5.844549 5.603744 0.000000 7.085425 4.222232 2.474433 4.691975 2.941597 1.421768 3.597072 3.844194 4.452084 2.464653 4.361538 4.385269 4.771771 2.809520 0.000000 2.785296 6.853258 2.445351 5.509213 2.850869 3.694960 1.431497 4.508301 3.915278 4.563525 2.459926 3.238093 4.403317 5.861257 4.496236 0.000000 4.094595 6.196753 3.801163 7.032631 4.950186 4.494136 2.452112 3.861844 2.493464 4.547046 1.418376 5.260053 5.830586 5.705637 5.634027 2.781462 0.000000 9.057759 2.468759 4.278703 5.970884 5.091940 2.837383 5.202439 3.863320 4.732642 2.474888 5.370280 6.314142 6.221015 1.413694 2.448487 6.408833 6.646749 0.000000 8.388180 3.742303 3.764408 5.553707 4.295000 2.451751 4.819605 4.353894 5.096032 2.844735 5.335168 5.674925 5.847144 2.433337 1.408077 5.816913 6.606050 1.412231 0.000000 1.833068 7.709824 3.741980 6.762214 4.238502 4.895896 2.464367 5.297465 4.351256 5.578506 2.829043 4.431189 5.535727 6.853759 5.737453 1.399137 2.392575 7.488443 6.990701 0.000000 2.801735 7.466943 4.316851 7.478076 5.156250 5.264182 2.887760 5.080392 3.834218 5.616432 2.496333 5.353297 6.202635 6.829707 6.260538 2.454942 1.409799 7.631802 7.372709 1.403812 0.000000 8.406569 7.874989 4.999880 1.476347 3.924280 5.504620 6.044655 6.394177 7.393213 6.147760 7.084149 3.168827 2.470091 6.982795 5.793296 6.378662 8.194959 7.223844 6.661192 7.599600 8.465600 0.000000 8.970869 5.925211 4.557690 1.477166 4.180225 4.606801 5.663562 4.809798 6.115535 4.697963 6.311989 3.801668 2.466907 5.331855 5.142315 6.504285 7.572870 5.808497 5.708359 7.719018 8.235932 2.447701 0.000000 4.836142 6.798294 2.167558 3.954245 1.110657 3.110641 2.857827 5.045189 5.245381 4.448024 4.286067 2.199436 3.507816 5.519106 3.232111 2.719568 5.201831 5.605420 4.610061 4.050707 5.159747 4.565706 5.179621 0.000000 6.390510 5.793860 2.097162 2.567211 1.102848 2.479834 3.408205 4.379842 5.099057 3.635225 4.623949 2.137584 2.650116 4.553553 2.584962 3.916309 5.842634 4.628629 3.775601 5.312223 6.175919 3.437335 3.604198 1.785005 0.000000 6.885017 3.697339 2.722448 4.103614 3.749224 2.778970 3.014523 1.107489 2.178827 2.154465 2.807909 3.904660 3.377796 3.332478 4.140014 4.317984 4.037892 4.534918 4.844012 5.173294 5.104947 5.537509 4.013891 4.729868 3.982782 0.000000 8.102350 2.351355 3.967835 5.549024 5.197252 3.436275 4.178570 1.101649 2.174277 2.149076 3.529830 5.615173 5.072666 2.645219 4.609514 5.581987 4.626019 4.053906 4.846713 6.292364 5.933855 7.019872 5.142775 6.100820 5.286641 1.788867 0.000000 6.644472 3.506206 3.743334 6.817761 5.232633 3.419994 3.271281 2.163295 1.108652 2.683776 2.170252 5.953303 6.057864 3.342691 4.500860 4.481454 2.891774 4.445317 4.923829 4.840052 4.227970 8.227795 6.896071 5.770256 5.665106 3.079225 2.530229 0.000000 6.517994 4.368408 4.072565 6.552295 5.423786 4.196337 3.417695 2.175161 1.107558 3.453869 2.142529 5.678687 5.567443 4.388877 5.529305 4.529106 2.605156 5.677915 6.147676 4.728820 3.974138 7.927731 6.569643 6.110378 5.970570 2.570735 2.421644 1.770237 0.000000 5.589784 7.836517 3.455609 2.778574 2.163875 4.562052 4.065561 5.748208 6.180835 5.573894 5.332347 1.107910 2.191367 6.751213 5.006690 3.885842 6.180565 7.072866 6.288743 5.018229 6.097011 2.880161 4.220276 2.404265 2.543315 4.991498 6.691422 7.009717 6.772120 0.000000 4.500651 7.210752 2.756018 3.457442 2.201031 4.117419 2.818746 4.718208 4.849278 4.916138 3.887442 1.105601 2.171903 6.269445 4.986249 2.657504 4.585195 6.882778 6.319625 3.632532 4.530329 4.086951 4.608391 2.649826 3.068460 3.953265 5.693231 5.764735 5.297561 1.773603 0.000000 6.861804 7.271323 4.087141 2.163500 3.519142 4.992802 4.606951 5.041242 5.735310 5.394427 5.356867 2.188163 1.119740 6.568658 5.878633 4.946814 6.251682 7.273381 6.955656 5.905758 6.534362 2.672251 2.932631 4.359462 3.716829 3.991976 5.702470 6.752299 6.002104 2.573116 2.442035 0.000000 6.671985 5.505409 2.764739 2.104715 2.752610 3.418187 3.451844 3.305327 4.173192 3.631498 4.052462 2.160971 1.106084 4.814044 4.471445 4.254725 5.184698 5.619568 5.460406 5.334070 5.775464 3.387660 2.526640 3.819455 2.900964 2.302322 3.998676 5.129973 4.574234 3.087478 2.521493 1.788153 0.000000 6.735766 5.315728 2.696385 4.786214 2.697103 2.183565 3.776901 4.717005 5.182335 3.453315 4.794770 4.218200 4.883251 3.903117 1.093889 4.346759 5.960639 3.438104 2.172588 5.618460 6.353963 5.674676 5.495694 2.635679 2.361673 4.878756 5.574282 5.285060 6.257518 4.635225 4.855506 5.973388 4.812558 0.000000 2.868809 7.414207 2.659876 5.251763 2.478295 3.943329 2.194760 5.195800 4.829231 5.041465 3.457602 2.870175 4.277115 6.295867 4.487963 1.090870 3.871560 6.664504 5.872526 2.146552 3.425159 5.921274 6.422315 2.008155 3.532186 4.914551 6.293148 5.390353 5.507504 3.244337 2.453274 4.837819 4.392697 4.094224 0.000000 4.958860 6.266912 4.693621 7.818683 5.932117 5.199910 3.438569 4.122388 2.619344 4.986361 2.160026 6.214768 6.625450 6.009282 6.370250 3.878524 1.097159 7.050005 7.198381 3.387097 2.158079 9.039580 8.209680 6.250321 6.765729 4.423215 4.664184 2.830102 2.364017 7.175172 5.541300 6.996632 5.872862 6.811195 4.968666 0.000000 10.099774 2.727827 5.376226 6.852121 6.156860 3.934878 6.275655 4.744271 5.610916 3.467369 6.362524 7.372140 7.210875 2.187564 3.444120 7.481773 7.596750 1.097523 2.184188 8.530693 8.620304 8.065463 6.554452 6.646351 5.629326 5.462699 4.744902 5.209629 6.492978 8.105027 7.967128 8.251341 6.604412 4.345879 7.739162 7.918793 0.000000 9.014165 4.636174 4.643873 6.202299 4.963275 3.443684 5.707609 5.449090 6.151515 3.939958 6.310626 6.385567 6.636300 3.427562 2.171721 6.567159 7.533958 2.173757 1.095232 7.744332 8.210294 7.158282 6.401491 5.110285 4.355442 5.918585 5.922665 5.924715 7.214785 6.864585 7.093040 7.754342 6.367201 2.500052 6.500855 8.153036 2.510868 0.000000 2.952182 8.364414 5.409211 8.499929 6.212614 6.336732 3.980328 6.022447 4.683401 6.633015 3.484921 6.333267 7.182052 7.806345 7.314153 3.448222 2.191709 8.625417 8.396735 2.185637 1.092585 9.448906 9.255608 6.162403 7.247983 6.065929 6.799682 4.992438 4.654345 7.023519 5.442323 7.425037 6.766308 7.391262 4.326044 2.505390 9.585535 9.217998 0.000000 8.813542 8.515958 5.741386 2.174517 4.748029 6.338724 6.645108 6.896668 7.874831 6.859731 7.588425 3.715615 2.820271 7.741943 6.773131 6.939748 8.618444 8.111092 7.649718 8.057432 8.869448 1.120488 2.791886 5.418395 4.409941 5.939242 7.454483 8.788005 8.276826 3.423692 4.437607 2.561412 3.716388 6.707900 6.536634 9.415834 8.950101 8.202021 9.799734 0.000000 9.314763 8.077865 5.635296 2.120592 4.567170 5.915605 6.811129 6.954910 8.068973 6.538720 7.858178 4.088387 3.417533 7.185159 5.991030 7.212980 9.042420 7.258878 6.680114 8.491757 9.366937 1.104838 2.672029 5.153804 3.858295 6.185328 7.510664 8.827086 8.662161 3.775040 5.081291 3.723359 4.209482 5.861862 6.721534 9.879962 7.997169 7.048991 10.378412 1.800943 0.000000 7.783535 8.378189 4.910775 2.129930 3.619597 5.588867 5.874654 6.751733 7.580197 6.442609 7.054829 2.838835 2.709253 7.362446 5.791265 5.975185 8.080266 7.530107 6.792816 7.174137 8.177914 1.103803 3.405424 4.024344 3.271165 5.929803 7.504168 8.400662 8.166268 2.200310 3.736751 2.926395 3.758147 5.479065 5.363326 9.005282 8.423529 7.228810 9.135692 1.797466 1.783316 0.000000 9.400946 6.555840 5.320456 2.181275 4.981306 5.495589 6.263146 5.297427 6.559924 5.457470 6.796236 4.318152 2.819280 6.132985 6.168622 7.063724 7.965799 6.748263 6.751020 8.177688 8.625105 2.805227 1.119912 5.992692 4.554251 4.392192 5.522339 7.421558 6.845164 4.708511 4.965631 2.859579 2.868485 6.541497 7.034327 8.537081 7.473643 7.483790 9.591143 2.687065 3.128641 3.828002 0.000000 8.797303 4.849412 4.082570 2.121054 4.068536 3.920285 5.163577 3.846947 5.244814 3.764599 5.636039 3.951328 2.698928 4.344634 4.583605 6.193527 6.943648 4.958096 5.051263 7.382084 7.753852 3.398700 1.104642 5.135347 3.548131 3.152990 4.093827 5.966635 5.707344 4.606421 4.663091 3.332167 2.299764 5.130805 6.269483 7.499194 5.701806 5.850216 8.780083 3.815616 3.657000 4.230446 1.801921 0.000000 9.824860 6.230091 5.259610 2.121175 4.792061 5.111866 6.486398 5.561781 6.940687 5.228237 7.185956 4.592594 3.415884 5.628299 5.383146 7.328487 8.496324 5.883763 5.755070 8.602612 9.168099 2.666348 1.105234 5.703946 4.012658 4.894145 5.827544 7.626561 7.462676 4.863496 5.506185 3.909547 3.565298 5.700763 7.166441 9.143100 6.503683 6.300905 10.210230 3.106177 2.411869 3.661238 1.797749 1.786752 0.000000 10.342991 0.988884 5.698756 7.111220 6.774248 4.417877 6.324577 3.827250 4.739343 3.244473 5.953449 7.686011 7.230005 1.986907 4.681452 7.712843 7.097149 2.514876 3.915615 8.587572 8.356854 8.494606 6.516066 7.500903 6.439141 4.658621 3.309926 4.340357 5.304506 8.608992 8.093032 8.103346 6.358137 5.760242 8.230341 7.144315 2.349221 4.638223 9.244156 9.169058 8.590130 9.022891 7.174127 5.466744 6.679029 0.000000 0.2733562 0.1737184 0.1288722 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= 273 273 273 273 273 MxSgAt= 46 MxSgA2= 46. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F 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= 17766 NPrTT= 88961 LenC2= 15702 LenP2D= 49138. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 284 RedAO= T EigKep= 4.19D-04 NBF= 284 NBsUse= 284 1.00D-06 EigRej= -1.00D+00 NBFU= 284 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= 272 272 273 273 273 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -1380.79912526587 -1380.92548630978 -0.126361043902 -1381.20962766279 -0.284141353017 -1381.20810998822 0.001517674578 -1381.23469153457 -0.026581546352 -1381.23623741087 -0.001545876301 -1381.23635215245 -0.000114741579 -1381.23638052528 -0.000028372829 -1381.23627197710 0.000108548180 -1381.23627167116 0.000000305938 -1381.23627264555 -0.000000974391 -1381.23627287892 -0.000000233366 -1381.23627292125 -0.000000042336 -1381.23627292186 -0.000000000612 -1381.23627292201 -0.000000000147 -1381.23627292206 -0.000000000053 -1381.23627292205 0.000000000016 -1381.23627292 17 1.376577162768e+03 -7.472163920083e+03 2.596683169675e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=830769123. IVT= 264018 IEndB= 264018 NGot= 939524096 MDV= 120329394 LenX= 120329394 LenY= 120248297 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 40470 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -1.48086359e+00 -1.31686188e-01 -1.47354267e-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 17 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.036349127 -0.024377628 0.017999513 0.007134184 0.010748001 -0.035664765 -0.001521422 -0.010029495 0.007293124 -0.007242550 0.002881990 0.003156591 -0.003101694 -0.011750225 0.001417398 -0.004348771 0.014318995 0.001819794 -0.001972359 0.003894757 0.003861442 -0.009249643 0.008084754 0.001568660 0.008053601 -0.001901054 -0.006329673 -0.002754157 0.001676848 -0.021708838 0.003021460 0.015158876 -0.011721490 0.013725979 -0.005530440 -0.005362781 0.007680924 -0.000146483 0.011259559 0.006249347 -0.011316195 0.021723189 0.005296249 -0.007188131 0.013133468 0.000766549 -0.011817363 0.007658409 -0.010518526 -0.004430217 0.002729747 -0.010233715 0.003002011 0.009366573 0.002244415 -0.006346160 0.006159245 -0.037574701 0.011200543 -0.008408169 0.018000661 0.014041683 -0.009852985 -0.010069323 0.002441718 0.010627119 -0.005391579 0.009233847 0.004199785 0.009833767 -0.001918081 0.003325856 -0.006407420 0.010068572 -0.003635233 0.005427156 -0.009915981 -0.001281964 -0.005333482 0.003844639 -0.000102354 -0.005296205 0.005522957 0.001285580 0.005962923 0.003954692 -0.003108376 -0.002290823 -0.006344111 0.003245488 0.006916129 0.002080449 -0.002775591 0.004296576 -0.011924818 -0.009776347 -0.001738307 0.010305041 -0.001688620 0.003715092 -0.003364214 0.002001264 -0.003676053 -0.003428129 0.002610490 -0.002373650 0.003428763 -0.003428083 -0.007118157 0.005355875 -0.000443385 -0.002367925 -0.000588356 0.005445997 0.006171638 0.000308214 -0.000698668 0.004112224 -0.012064681 -0.008345461 -0.006191385 0.001133860 -0.000794802 0.005977172 -0.000535010 0.003755595 -0.000028804 -0.009176546 -0.012253502 0.002937899 0.005251594 -0.001962711 -0.005268987 -0.001504623 0.002682904 -0.011803437 0.007659262 0.001017009 0.037574701 0.009357056 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1381.26135089412 -1381.26136407493 -0.000013180815 -1381.26136397990 0.000000095031 -1381.26136415114 -0.000000171240 -1381.26136416193 -0.000000010792 -1381.26136416445 -0.000000002517 -1381.26136416479 -0.000000000341 -1381.26136416482 -0.000000000026 -1381.26136416486 -0.000000000040 -1381.26136416 9 1.375222901450e+03 -7.376425681532e+03 2.549637488938e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=830769123. IVT= 264018 IEndB= 264018 NGot= 939524096 MDV= 120329394 LenX= 120329394 LenY= 120248297 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 40470 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -100.691018 -18.794356 -14.021846 -13.987324 -9.967215 -9.955628 -9.952024 -9.943324 -9.923936 -9.915116 -9.912911 -9.909348 -9.909175 -9.909077 -9.907273 -9.907129 -9.904858 -9.904468 -9.903851 -9.899977 -9.899022 -9.894785 -9.893730 -9.170044 -6.995661 -6.982123 -6.981881 -0.970711 -0.869779 -0.832028 -0.796027 -0.774217 -0.753500 -0.721347 -0.701983 -0.686690 -0.679117 -0.656968 -0.638257 -0.633965 -0.616325 -0.587452 -0.571419 -0.556350 -0.539302 -0.529559 -0.524194 -0.506288 -0.475342 -0.456590 -0.439571 -0.437876 -0.435406 -0.425718 -0.420019 -0.418244 -0.407362 -0.402790 -0.394756 -0.389680 -0.377091 -0.372847 -0.363603 -0.355972 -0.353152 -0.351760 -0.340598 -0.339095 -0.332505 -0.329497 -0.326515 -0.322108 -0.319091 -0.314696 -0.312825 -0.300200 -0.296857 -0.295045 -0.286172 -0.283685 -0.275792 -0.258524 -0.249478 -0.222060 -0.206553 -0.196562 -0.167464 -0.159242 -0.038013 -0.037587 -0.029170 -0.022264 -0.004735 0.028897 0.063968 0.077814 0.085597 0.089944 0.091034 0.098168 0.105215 0.107269 0.108943 0.112782 0.118705 0.122605 0.127403 0.136553 0.142819 0.144518 0.146208 0.156383 0.161604 0.163614 0.165324 0.172970 0.173181 0.177542 0.180606 0.186638 0.188036 0.192926 0.199553 0.202778 0.208931 0.211644 0.217247 0.219809 0.233064 0.235331 0.242396 0.244117 0.254903 0.261286 0.268216 0.278246 0.280057 0.288051 0.290203 0.297172 0.306417 0.311300 0.316642 0.319979 0.324964 0.327290 0.335087 0.339049 0.340170 0.344701 0.353544 0.357646 0.360733 0.365844 0.369611 0.375046 0.380198 0.382916 0.384660 0.388458 0.393208 0.395531 0.400931 0.407329 0.408250 0.412022 0.418803 0.428699 0.436230 0.437388 0.445725 0.455500 0.464315 0.467070 0.485156 0.491384 0.496930 0.508365 0.515184 0.518006 0.527756 0.537341 0.547348 0.557602 0.567199 0.574172 0.596716 0.616274 0.619492 0.628157 0.635808 0.642304 0.658390 0.660538 0.664653 0.671774 0.697393 0.698945 0.715296 0.720834 0.730606 0.750188 0.751638 0.777700 0.783119 0.804277 0.813571 0.820611 0.840673 0.865193 0.878525 0.899568 0.907295 0.925067 0.926253 0.941864 0.943149 0.954441 0.965269 0.970108 0.983084 0.993696 1.019307 1.027153 1.029292 1.045920 1.052597 1.072475 1.084957 1.094921 1.107386 1.118243 1.129485 1.133703 1.135230 1.151576 1.164438 1.182210 1.195026 1.205954 1.221969 1.237294 1.263279 1.272391 1.285256 1.285763 1.304549 1.340592 1.369456 1.396814 1.433974 1.457099 1.481412 1.502437 1.508690 1.618158 1.732497 5.887161 5.920136 5.926441 8.833957 22.293001 22.357054 22.507683 22.543567 22.549965 22.565664 22.590797 22.600057 22.607038 22.623674 22.642119 22.665096 22.678804 22.704366 22.709658 22.713708 22.724106 22.797508 22.801679 31.523707 31.599245 41.520088 217.736883 137.016898 29.117011 22.046733 22.050341 15.955952 15.955887 15.956299 15.955281 15.957990 15.958442 15.955320 15.952761 15.955858 15.957784 15.957859 15.954695 15.952853 15.954421 15.954506 15.956817 15.954085 15.955869 15.956819 21.398102 20.479272 20.497450 20.497362 2.575237 1.773639 1.748191 1.902738 1.634631 2.035194 1.641324 1.474188 1.671609 1.827552 1.756558 1.635886 1.418697 1.568043 1.603663 1.514107 1.623825 1.451992 1.435232 1.570922 1.465372 1.640036 1.243636 1.403978 1.202460 1.203884 1.385985 1.112853 1.274762 1.307426 1.237749 1.166986 1.265464 1.455456 1.185520 1.238471 1.358790 1.246928 1.498972 1.064792 1.313910 1.268281 1.366842 1.617213 1.157865 1.424841 1.465078 1.436413 1.439367 1.364099 1.405878 1.551053 1.469067 1.661208 2.378794 1.489741 1.240557 1.560093 1.632314 1.621347 1.662073 1.448396 1.512832 1.552085 1.731912 2.573072 1.500227 1.154699 1.364893 1.445547 1.342262 1.591098 1.486464 1.321576 1.351897 1.280433 1.246552 1.236526 1.358115 1.286569 1.260577 1.281321 1.282739 1.261991 1.691086 1.388191 1.350975 1.114070 1.171038 1.320070 1.686891 1.167769 1.254445 1.404584 1.566253 1.357834 1.262580 1.259758 1.565936 1.435077 1.447254 1.403778 1.255189 1.457097 1.467388 1.352826 1.550860 1.335990 1.529714 1.598897 1.426685 1.304496 1.336279 1.426414 1.531125 1.350630 1.441649 1.368259 1.979839 2.203827 1.703853 1.633168 1.630593 1.605635 1.629957 1.805899 1.937311 1.832609 2.061947 1.913686 1.968672 2.171720 2.036383 2.126721 1.916387 2.271990 2.193310 1.789154 1.924995 1.954010 2.163763 2.289665 1.976500 1.952995 2.158195 2.087971 1.853575 2.123712 2.098958 1.873142 1.853637 1.860143 1.939548 2.289160 2.246618 1.907708 2.355878 2.306113 2.013328 2.019459 3.087922 2.805897 2.500244 2.719569 1.961275 2.364754 2.399819 2.614701 2.305272 2.255825 3.070564 2.530233 2.540922 2.321733 2.328231 2.458359 2.372214 2.333026 2.730474 2.500520 2.537896 2.543555 2.727388 2.910918 2.665321 2.771837 3.000350 2.798768 3.035226 2.886063 3.028835 2.938751 2.873909 2.942307 2.846522 2.885093 2.789781 2.810983 2.946787 2.735802 2.957276 2.727973 2.768478 2.748109 2.709207 2.634008 2.893680 2.795557 3.091301 2.752442 2.673136 2.730498 2.883892 3.032169 2.779495 2.776848 2.823713 2.886084 2.855526 3.051962 2.948825 2.886425 2.969308 2.893443 2.935231 3.274042 3.528443 3.014622 4.306466 5.066668 16.519992 16.522191 16.575733 34.864386 57.409031 57.407362 57.396327 57.409521 57.401278 57.404555 57.409577 57.399165 57.407310 57.406254 57.401824 57.394794 57.384904 57.388569 57.389554 57.396513 57.401842 57.384431 57.390206 80.072577 80.070116 105.845218 561.937330 1.375222901450D+03 PT7579.900S 2017-07-13T04:38:58.000+02:00 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 Cl O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.017516 -0.426941 -0.280370 -0.055282 -0.431930 0.364904 0.206169 -0.609972 -0.538061 0.206580 0.369965 -0.477101 -0.378127 0.177380 -0.392470 -0.260089 -0.384278 -0.488447 -0.230642 -0.234793 -0.271102 -0.645020 -0.629996 0.212785 0.262726 0.221192 0.259814 0.250652 0.220988 0.224855 0.249087 0.192043 0.238509 0.241559 0.252393 0.238039 0.215926 0.227942 0.252345 0.194551 0.226061 0.231034 0.189832 0.237734 0.227000 0.360073 0.00000 -9.95563 -9.95202 -9.94332 -9.92394 -9.91512 -9.91291 -9.90935 -9.90918 -9.90908 -9.90727 -9.90713 -9.90486 -9.90447 -9.90385 -9.89998 -9.89902 -9.89479 -9.89373 -9.17004 -6.99566 -6.98212 -6.98188 -0.97071 -0.86978 -0.83203 -0.79603 -0.77422 -0.75350 -0.72135 -0.70198 -0.68669 -0.67912 -0.65697 -0.63826 -0.63396 -0.61633 -0.58745 -0.57142 -0.55635 -0.53930 -0.52956 -0.52419 -0.50629 -0.47534 -0.45659 -0.43957 -0.43788 -0.43541 -0.42572 -0.42002 -0.41824 -0.40736 -0.40279 -0.39476 -0.38968 -0.37709 -0.37285 -0.36360 -0.35597 -0.35315 -0.35176 -0.34060 -0.33909 -0.33251 -0.32950 -0.32652 -0.32211 -0.31909 -0.31470 -0.31283 -0.30020 -0.29686 -0.29505 -0.28617 -0.28369 -0.27579 -0.25852 -0.24948 -0.22206 -0.20655 -0.19656 -0.16746 -0.15924 -0.03801 -0.03759 -0.02917 -0.02226 -0.00473 0.02890 0.06397 0.07781 0.08560 0.08994 0.09103 0.09817 0.10522 0.10727 0.10894 0.11278 0.11871 0.12260 0.12740 0.13655 0.14282 0.14452 0.14621 0.15638 0.16160 0.16361 0.16532 0.17297 0.17318 0.17754 0.18061 0.18664 0.18804 0.19293 0.19955 0.20278 0.20893 0.21164 0.21725 0.21981 0.23306 0.23533 0.24240 0.24412 0.25490 0.26129 0.26822 0.27825 0.28006 0.28805 0.29020 0.29717 0.30642 0.31130 0.31664 0.31998 0.32496 0.32729 0.33509 0.33905 0.34017 0.34470 0.35354 0.35765 0.36073 0.36584 0.36961 0.37505 0.38020 0.38292 0.38466 0.38846 0.39321 0.39553 0.40093 0.40733 0.40825 0.41202 0.41880 0.42870 0.43623 0.43739 0.44573 0.45550 0.46432 0.46707 0.48516 0.49138 0.49693 0.50837 0.51518 0.51801 0.52776 0.53734 0.54735 0.55760 0.56720 0.57417 0.59672 0.61627 0.61949 0.62816 0.63581 0.64230 0.65839 0.66054 0.66465 0.67177 0.69739 0.69894 0.71530 0.72083 0.73061 0.75019 0.75164 0.77770 0.78312 0.80428 0.81357 0.82061 0.84067 0.86519 0.87852 0.89957 0.90729 0.92507 0.92625 0.94186 0.94315 0.95444 0.96527 0.97011 0.98308 0.99370 1.01931 1.02715 1.02929 1.04592 1.05260 1.07247 1.08496 1.09492 1.10739 1.11824 1.12949 1.13370 1.13523 1.15158 1.16444 1.18221 1.19503 1.20595 1.22197 1.23729 1.26328 1.27239 1.28526 1.28576 1.30455 1.34059 1.36946 1.39681 1.43397 1.45710 1.48141 1.50244 1.50869 1.61816 1.73250 5.88716 5.92014 5.92644 8.83396 22.29300 22.35705 22.50768 22.54357 22.54996 22.56566 22.59080 22.60006 22.60704 22.62367 22.64212 22.66510 22.67880 22.70437 22.70966 22.71371 22.72411 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-0.01544 0.00541 -0.02874 -0.05438 -0.01934 -0.03573 0.00008 -0.00461 -0.00654 0.00017 1 Cl 1S 2S 3S 4S 5S 6S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 2 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 3 N 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 N 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 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 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 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 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 1 Cl 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 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 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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 0.74383 1.22403 0.97455 1.01038 1.08549 0.92951 1.79133 1.79735 1.79896 0.22830 0.22806 0.22806 0.77686 0.85097 0.87007 0.75086 0.87924 0.91390 1.13230 0.85945 0.94717 0.89905 1.14693 1.14821 1.15945 0.36052 0.37357 0.42080 1.15910 0.83110 0.80040 0.79917 0.95213 0.94356 1.19121 0.09121 0.12595 0.39243 1.15939 0.83097 0.83102 0.72587 0.90037 0.97099 1.14015 0.07344 0.12977 0.33746 1.17432 0.81417 0.73091 0.66191 0.97175 0.76501 0.89522 0.22379 0.04959 0.12985 1.17439 0.81385 0.76121 0.36258 0.81390 0.82778 0.92439 0.05920 0.09564 -0.11620 1.17440 0.81385 0.75799 0.40088 0.83201 0.87942 0.84824 -0.01754 0.04275 0.10077 1.17420 0.81413 0.71630 0.70724 0.87595 0.93069 0.88584 0.11965 0.19391 0.15661 1.17427 0.81415 0.72326 0.65932 0.86478 0.89829 0.90855 0.09674 0.19065 0.19557 1.17431 0.81383 0.75019 0.39305 0.85695 0.86342 0.89233 0.05186 0.09472 -0.09802 1.17436 0.81393 0.75168 0.40566 0.91092 0.85745 0.81840 -0.11210 -0.02095 0.03652 1.17429 0.81414 0.72452 0.63478 0.90398 0.88537 0.87170 0.17774 0.15983 0.07662 1.17436 0.81417 0.73093 0.63309 0.79934 0.93628 0.88531 0.03421 0.19813 0.14226 1.17445 0.81386 0.77018 0.37328 0.88599 0.81036 0.83365 0.05970 0.10272 0.03094 1.17432 0.81406 0.74729 0.54326 0.87110 0.86500 0.89822 0.11669 0.18144 0.14023 1.17428 0.81400 0.74550 0.51847 0.89433 0.90205 0.85029 -0.12907 0.23774 0.23513 1.17438 0.81402 0.75221 0.55350 0.91404 0.86508 0.83508 -0.00684 0.21600 0.24243 1.17430 0.81415 0.74219 0.54387 0.87781 0.87248 0.89043 0.20886 0.23093 0.07835 1.17440 0.81412 0.75303 0.54071 0.85583 0.83490 0.91620 0.12054 0.09500 0.11482 1.17450 0.81389 0.74413 0.71199 0.83798 0.85201 0.84163 -0.04097 0.08050 0.13960 1.17434 0.81409 0.74812 0.53353 0.94499 0.85249 0.83350 0.16189 0.09883 0.14894 1.17430 0.81434 0.73406 0.68595 0.94496 0.79959 0.92954 0.22895 0.09678 0.20952 1.17431 0.81433 0.73489 0.68319 0.86393 0.92791 0.87876 0.15167 0.21291 0.17068 0.51701 0.28270 0.50890 0.22066 0.51100 0.27731 0.51121 0.23721 0.51080 0.24681 0.51415 0.26389 0.51362 0.28227 0.51268 0.24427 0.51207 0.29559 0.51581 0.26863 0.51661 0.23365 0.51488 0.21683 0.51634 0.25108 0.51322 0.26863 0.51596 0.25888 0.51228 0.23293 0.50836 0.30234 0.51328 0.26299 0.51529 0.26070 0.50919 0.30265 0.51329 0.25097 0.51324 0.26782 0.48458 0.15814 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 Cl O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.081730 -0.447437 -0.286262 -0.099434 -0.416516 0.283253 0.167237 -0.574513 -0.525574 0.207356 0.364130 -0.422961 -0.348076 0.144875 -0.351595 -0.242713 -0.359891 -0.433374 -0.219533 -0.155253 -0.310716 -0.617986 -0.612574 0.200290 0.270443 0.211696 0.251585 0.242387 0.221960 0.204103 0.243043 0.192344 0.215561 0.249742 0.268296 0.232584 0.218152 0.225155 0.254787 0.189304 0.223728 0.224010 0.188155 0.235739 0.218939 0.357281 0.00000 -1.63272928e+00 1.47254529e-01 -2.63687607e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.1500 0.3743 -0.6702 4.2204 -146.6765 -130.7342 -141.3331 -2.1504 -7.5648 -1.6400 -7.0952 8.8470 -1.7518 -2.1504 -7.5648 -1.6400 -196.8398 49.4070 -6.8199 -75.2887 87.8350 -28.1468 -38.8805 10.1449 -11.5803 -20.0181 -6373.4401 -3788.4643 -1307.2838 -8.4233 -331.4396 -81.3292 -66.7586 -228.2106 -52.2594 -1468.3962 -1292.6856 -897.1399 -10.2316 -81.7639 19.5038 0 -1381.2613642 3.895E-9 1.481E-5 -5.2751273,6.5775648,-1.3024375,-1.5987369,-5.6242507,-1.2193258 C01 [X(C19H23Cl1N2O1)] -1.6327293 0.1472545 -0.2636876 @ -0.000016840 0.000013554 -0.000008003 0.000015891 -0.000031199 0.000030042 -0.000047205 -0.000045953 -0.000020006 0.000005259 -0.000000407 0.000006404 0.000011921 0.000016455 -0.000019000 -0.000004437 0.000006506 0.000035551 0.000056424 0.000003640 0.000016640 -0.000002202 0.000006143 0.000000827 -0.000006290 0.000003026 -0.000012651 -0.000013192 0.000010603 -0.000006949 0.000002508 0.000005022 -0.000001899 0.000017050 -0.000007075 0.000025308 -0.000016718 0.000002102 -0.000005185 -0.000003534 0.000032431 -0.000061649 0.000027484 -0.000019932 -0.000013930 -0.000037117 0.000012381 -0.000007363 -0.000006909 0.000000338 -0.000002126 -0.000008987 -0.000015561 0.000038723 -0.000013308 0.000016890 -0.000014433 0.000040834 -0.000022424 0.000019543 -0.000006332 0.000009046 -0.000006037 -0.000001706 0.000002921 0.000006953 -0.000006219 0.000006028 -0.000000072 0.000002185 -0.000000670 0.000016224 0.000000179 0.000002000 0.000005290 0.000003625 -0.000013864 -0.000000366 -0.000004749 0.000001446 -0.000000396 -0.000003779 0.000004977 0.000003401 0.000004359 0.000002386 0.000000151 0.000004055 -0.000002755 -0.000004211 0.000003648 0.000005175 -0.000005287 0.000003115 -0.000010492 -0.000010580 -0.000000796 0.000016039 -0.000000544 -0.000007443 0.000003447 0.000007779 0.000005543 -0.000005281 -0.000001287 -0.000002778 0.000002433 -0.000001748 -0.000005836 0.000003614 0.000001699 -0.000002262 -0.000002719 0.000005306 0.000006289 0.000004921 0.000000087 0.000004896 -0.000009939 -0.000007545 -0.000002657 -0.000000854 -0.000000060 0.000007875 -0.000000478 0.000004188 0.000002740 -0.000004442 -0.000011533 0.000003987 0.000003085 -0.000000221 -0.000001049 -0.000006198 0.000002025 -0.000007523 0.000003634 -0.000003060 307.6690999999998 AuxInfo=1/0/N:22,23,19,12,15,18,17,9,21,8,13,5,16,11,20,10,6,7,14,1,4,3,2/E:(1,2)/CRV:3.3,5.3,6.3,7.3,9.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3/rA:46ClONNCC3C3CCC3C3CCC3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s3;s3;s3;;s8;s6s8;s7s9;s5;s4s12;s2s10;s6;s7;s11;s14;s15s18;s1s16;s17s20;s4;s4;s5;s5;s8;s8;s9;s9;s12;s12;s13;s13;s15;s16;s17;s18;s19;s21;s22;s22;s22;s23;s23;s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2028 CBGUSER 000134222 EM64L-G09RevD.01 13-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 132 C1[X(C19H23ClN2O)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 307.6690999999998 0 1 AuxInfo=1/0/N:22,23,19,12,15,18,17,9,21,8,13,5,16,11,20,10,6,7,14,1,4,3,2/E:(1,2)/CRV:3.3,5.3,6.3,7.3,9.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3/rA:46ClONNCC3C3CCC3C3CCC3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s3;s3;s3;;s8;s6s8;s7s9;s5;s4s12;s2s10;s6;s7;s11;s14;s15s18;s1s16;s17s20;s4;s4;s5;s5;s8;s8;s9;s9;s12;s12;s13;s13;s15;s16;s17;s18;s19;s21;s22;s22;s22;s23;s23;s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-19902.inp" -scrdir="/scratch/" chk=000134222-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 000134222 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 35 16 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 15.9949146 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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| 0.000180 0.000054 0.114954 0.025474 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.034576e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2070.3038959706 284 656 284 88 88 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 307.6690999999998 AuxInfo=1/0/N:22,23,19,12,15,18,17,9,21,8,13,5,16,11,20,10,6,7,14,1,4,3,2/E:(1,2)/CRV:3.3,5.3,6.3,7.3,9.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3/rA:46ClONNCC3C3CCC3C3CCC3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s3;s3;s3;;s8;s6s8;s7s9;s5;s4s12;s2s10;s6;s7;s11;s14;s15s18;s1s16;s17s20;s4;s4;s5;s5;s8;s8;s9;s9;s12;s12;s13;s13;s15;s16;s17;s18;s19;s21;s22;s22;s22;s23;s23;s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 9.485252 0.000000 5.218569 4.884340 0.000000 7.835671 6.447003 3.818975 0.000000 5.313930 6.028386 1.491231 3.055609 0.000000 6.441707 3.704086 1.441656 4.214345 2.487097 0.000000 4.137129 5.443828 1.432185 4.918673 2.520841 2.515602 0.000000 7.090618 2.842301 2.893802 4.934168 4.177731 2.534916 3.095746 0.000000 6.183817 3.797070 3.162148 5.999903 4.596597 3.155243 2.649231 1.546684 0.000000 7.288832 2.406410 2.477944 4.721857 3.682426 1.419125 3.177422 1.509249 2.511025 0.000000 4.661859 5.033125 2.543641 5.835642 3.853279 3.129772 1.438767 2.612725 1.530123 3.178457 0.000000 5.335480 6.869603 2.532238 2.522084 1.546156 3.698848 3.139583 4.663966 5.096068 4.597506 4.325727 0.000000 6.630436 6.423645 3.140129 1.483778 2.558277 3.949183 3.904179 4.331090 5.120840 4.453169 4.769913 1.544643 0.000000 8.551720 1.413468 3.760396 5.591768 4.827100 2.435025 4.509620 2.557782 3.535105 1.417488 4.419654 5.844548 5.603744 0.000000 7.085426 4.222232 2.474434 4.691974 2.941597 1.421768 3.597072 3.844193 4.452084 2.464652 4.361538 4.385269 4.771771 2.809519 0.000000 2.785297 6.853259 2.445350 5.509212 2.850869 3.694960 1.431497 4.508300 3.915278 4.563525 2.459926 3.238093 4.403317 5.861257 4.496236 0.000000 4.094595 6.196754 3.801163 7.032631 4.950186 4.494135 2.452112 3.861845 2.493465 4.547046 1.418377 5.260053 5.830586 5.705638 5.634027 2.781462 0.000000 9.057760 2.468759 4.278704 5.970884 5.091940 2.837383 5.202439 3.863320 4.732642 2.474888 5.370280 6.314142 6.221016 1.413694 2.448487 6.408833 6.646749 0.000000 8.388180 3.742304 3.764408 5.553707 4.295000 2.451751 4.819604 4.353894 5.096032 2.844735 5.335168 5.674925 5.847144 2.433337 1.408076 5.816912 6.606050 1.412232 0.000000 1.833068 7.709825 3.741980 6.762214 4.238502 4.895895 2.464367 5.297465 4.351256 5.578506 2.829043 4.431189 5.535727 6.853759 5.737453 1.399137 2.392575 7.488442 6.990700 0.000000 2.801735 7.466943 4.316852 7.478076 5.156250 5.264182 2.887761 5.080392 3.834219 5.616432 2.496334 5.353297 6.202636 6.829707 6.260539 2.454943 1.409799 7.631802 7.372709 1.403812 0.000000 8.406569 7.874990 4.999879 1.476348 3.924280 5.504620 6.044654 6.394177 7.393213 6.147759 7.084148 3.168827 2.470091 6.982795 5.793296 6.378661 8.194959 7.223845 6.661191 7.599599 8.465600 0.000000 8.970870 5.925211 4.557690 1.477167 4.180225 4.606801 5.663562 4.809798 6.115535 4.697963 6.311989 3.801668 2.466906 5.331855 5.142315 6.504285 7.572870 5.808497 5.708359 7.719018 8.235932 2.447702 0.000000 4.836143 6.798294 2.167558 3.954244 1.110657 3.110641 2.857827 5.045189 5.245381 4.448023 4.286067 2.199436 3.507816 5.519106 3.232112 2.719568 5.201831 5.605421 4.610061 4.050707 5.159748 4.565706 5.179621 0.000000 6.390511 5.793861 2.097162 2.567210 1.102848 2.479834 3.408205 4.379842 5.099057 3.635224 4.623949 2.137583 2.650116 4.553553 2.584963 3.916309 5.842634 4.628630 3.775601 5.312223 6.175919 3.437334 3.604197 1.785005 0.000000 6.885017 3.697339 2.722448 4.103614 3.749225 2.778970 3.014523 1.107489 2.178826 2.154465 2.807909 3.904660 3.377796 3.332477 4.140013 4.317984 4.037892 4.534918 4.844012 5.173294 5.104948 5.537509 4.013891 4.729868 3.982782 0.000000 8.102350 2.351355 3.967836 5.549024 5.197252 3.436275 4.178570 1.101649 2.174276 2.149076 3.529830 5.615173 5.072666 2.645219 4.609514 5.581987 4.626019 4.053906 4.846714 6.292364 5.933855 7.019873 5.142775 6.100820 5.286641 1.788867 0.000000 6.644472 3.506206 3.743335 6.817761 5.232634 3.419994 3.271281 2.163296 1.108652 2.683777 2.170253 5.953303 6.057864 3.342692 4.500860 4.481455 2.891774 4.445317 4.923830 4.840052 4.227970 8.227796 6.896071 5.770257 5.665107 3.079225 2.530229 0.000000 6.517995 4.368408 4.072565 6.552294 5.423786 4.196337 3.417695 2.175161 1.107559 3.453870 2.142530 5.678687 5.567443 4.388877 5.529304 4.529106 2.605157 5.677915 6.147676 4.728820 3.974139 7.927731 6.569642 6.110379 5.970570 2.570735 2.421643 1.770237 0.000000 5.589784 7.836518 3.455609 2.778575 2.163875 4.562052 4.065561 5.748208 6.180835 5.573894 5.332347 1.107911 2.191368 6.751213 5.006691 3.885842 6.180565 7.072867 6.288744 5.018228 6.097011 2.880161 4.220277 2.404265 2.543316 4.991499 6.691423 7.009717 6.772120 0.000000 4.500651 7.210753 2.756018 3.457442 2.201031 4.117419 2.818746 4.718208 4.849278 4.916138 3.887442 1.105602 2.171904 6.269446 4.986250 2.657504 4.585195 6.882779 6.319626 3.632532 4.530329 4.086951 4.608391 2.649826 3.068461 3.953266 5.693232 5.764736 5.297561 1.773602 0.000000 6.861804 7.271324 4.087141 2.163500 3.519142 4.992802 4.606951 5.041242 5.735310 5.394427 5.356867 2.188163 1.119740 6.568658 5.878633 4.946814 6.251682 7.273381 6.955656 5.905758 6.534362 2.672252 2.932631 4.359462 3.716829 3.991976 5.702470 6.752300 6.002104 2.573117 2.442036 0.000000 6.671985 5.505409 2.764739 2.104715 2.752610 3.418187 3.451844 3.305327 4.173192 3.631498 4.052461 2.160970 1.106083 4.814044 4.471445 4.254724 5.184698 5.619568 5.460406 5.334069 5.775464 3.387660 2.526641 3.819454 2.900964 2.302322 3.998676 5.129973 4.574234 3.087477 2.521493 1.788153 0.000000 6.735766 5.315729 2.696385 4.786214 2.697103 2.183565 3.776901 4.717005 5.182335 3.453315 4.794770 4.218200 4.883252 3.903117 1.093890 4.346759 5.960639 3.438105 2.172588 5.618459 6.353964 5.674676 5.495694 2.635679 2.361673 4.878757 5.574282 5.285061 6.257519 4.635225 4.855506 5.973388 4.812558 0.000000 2.868809 7.414208 2.659876 5.251763 2.478296 3.943328 2.194760 5.195799 4.829231 5.041465 3.457602 2.870176 4.277116 6.295867 4.487963 1.090870 3.871559 6.664505 5.872525 2.146551 3.425159 5.921274 6.422316 2.008156 3.532187 4.914551 6.293149 5.390353 5.507505 3.244338 2.453274 4.837820 4.392696 4.094223 0.000000 4.958860 6.266912 4.693621 7.818683 5.932117 5.199909 3.438569 4.122388 2.619344 4.986361 2.160026 6.214768 6.625450 6.009282 6.370250 3.878525 1.097160 7.050005 7.198380 3.387097 2.158079 9.039579 8.209680 6.250321 6.765729 4.423215 4.664183 2.830102 2.364017 7.175172 5.541301 6.996632 5.872862 6.811195 4.968666 0.000000 10.099774 2.727827 5.376226 6.852121 6.156860 3.934878 6.275654 4.744270 5.610916 3.467368 6.362524 7.372140 7.210876 2.187564 3.444120 7.481772 7.596750 1.097522 2.184189 8.530693 8.620305 8.065464 6.554452 6.646351 5.629326 5.462699 4.744902 5.209629 6.492978 8.105028 7.967129 8.251342 6.604413 4.345879 7.739162 7.918793 0.000000 9.014165 4.636174 4.643872 6.202299 4.963274 3.443683 5.707609 5.449089 6.151515 3.939958 6.310626 6.385567 6.636300 3.427562 2.171720 6.567158 7.533957 2.173758 1.095231 7.744331 8.210294 7.158281 6.401491 5.110285 4.355442 5.918584 5.922665 5.924716 7.214784 6.864585 7.093040 7.754342 6.367200 2.500051 6.500854 8.153035 2.510868 0.000000 2.952183 8.364415 5.409211 8.499929 6.212614 6.336731 3.980328 6.022447 4.683401 6.633015 3.484921 6.333267 7.182052 7.806345 7.314153 3.448222 2.191708 8.625417 8.396735 2.185637 1.092585 9.448906 9.255608 6.162404 7.247983 6.065929 6.799681 4.992438 4.654346 7.023519 5.442323 7.425037 6.766308 7.391262 4.326044 2.505390 9.585534 9.217998 0.000000 8.813542 8.515958 5.741386 2.174517 4.748029 6.338724 6.645108 6.896667 7.874831 6.859731 7.588424 3.715615 2.820270 7.741942 6.773131 6.939748 8.618444 8.111092 7.649718 8.057431 8.869448 1.120488 2.791886 5.418394 4.409941 5.939242 7.454482 8.788005 8.276825 3.423692 4.437607 2.561412 3.716387 6.707900 6.536635 9.415833 8.950101 8.202020 9.799734 0.000000 9.314763 8.077865 5.635296 2.120592 4.567169 5.915605 6.811128 6.954909 8.068973 6.538720 7.858177 4.088386 3.417533 7.185159 5.991029 7.212979 9.042419 7.258878 6.680113 8.491756 9.366937 1.104837 2.672029 5.153803 3.858294 6.185328 7.510664 8.827086 8.662160 3.775040 5.081290 3.723358 4.209482 5.861861 6.721534 9.879961 7.997169 7.048990 10.378412 1.800943 0.000000 7.783535 8.378189 4.910775 2.129930 3.619597 5.588867 5.874653 6.751733 7.580196 6.442609 7.054828 2.838835 2.709254 7.362445 5.791265 5.975185 8.080266 7.530107 6.792816 7.174136 8.177914 1.103802 3.405424 4.024343 3.271165 5.929803 7.504169 8.400663 8.166268 2.200310 3.736751 2.926395 3.758147 5.479065 5.363326 9.005281 8.423529 7.228809 9.135692 1.797466 1.783316 0.000000 9.400947 6.555841 5.320456 2.181276 4.981307 5.495590 6.263147 5.297427 6.559924 5.457470 6.796236 4.318153 2.819280 6.132985 6.168622 7.063724 7.965799 6.748264 6.751021 8.177689 8.625106 2.805228 1.119913 5.992692 4.554251 4.392193 5.522340 7.421559 6.845164 4.708512 4.965632 2.859579 2.868486 6.541498 7.034327 8.537081 7.473643 7.483790 9.591144 2.687065 3.128641 3.828002 0.000000 8.797304 4.849413 4.082570 2.121054 4.068537 3.920286 5.163577 3.846947 5.244814 3.764599 5.636039 3.951328 2.698928 4.344634 4.583605 6.193528 6.943649 4.958096 5.051263 7.382084 7.753852 3.398701 1.104642 5.135347 3.548131 3.152990 4.093827 5.966635 5.707343 4.606422 4.663092 3.332167 2.299764 5.130806 6.269484 7.499194 5.701807 5.850216 8.780083 3.815615 3.657000 4.230446 1.801922 0.000000 9.824860 6.230091 5.259610 2.121175 4.792061 5.111867 6.486398 5.561781 6.940686 5.228237 7.185956 4.592593 3.415883 5.628299 5.383146 7.328487 8.496324 5.883764 5.755070 8.602612 9.168099 2.666347 1.105234 5.703945 4.012657 4.894145 5.827544 7.626562 7.462676 4.863496 5.506185 3.909546 3.565298 5.700763 7.166441 9.143099 6.503684 6.300904 10.210230 3.106176 2.411868 3.661237 1.797749 1.786752 0.000000 10.342992 0.988883 5.698756 7.111219 6.774248 4.417877 6.324576 3.827249 4.739343 3.244472 5.953448 7.686011 7.230004 1.986907 4.681452 7.712843 7.097149 2.514876 3.915616 8.587572 8.356854 8.494606 6.516065 7.500902 6.439140 4.658620 3.309926 4.340357 5.304506 8.608992 8.093033 8.103345 6.358137 5.760243 8.230341 7.144314 2.349221 4.638223 9.244156 9.169057 8.590129 9.022890 7.174127 5.466744 6.679029 0.000000 C19H23ClN2O 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 0 307.6690999999998 AuxInfo=1/0/N:22,23,19,12,15,18,17,9,21,8,13,5,16,11,20,10,6,7,14,1,4,3,2/E:(1,2)/CRV:3.3,5.3,6.3,7.3,9.3,13.3,14.3,15.3,16.3,17.3,18.3,19.3/rA:46ClONNCC3C3CCC3C3CCC3C3C3C3C3C3C3C3CCHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s3;s3;s3;;s8;s6s8;s7s9;s5;s4s12;s2s10;s6;s7;s11;s14;s15s18;s1s16;s17s20;s4;s4;s5;s5;s8;s8;s9;s9;s12;s12;s13;s13;s15;s16;s17;s18;s19;s21;s22;s22;s22;s23;s23;s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2733562 0.1737184 0.1288722 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= 17766 NPrTT= 88961 LenC2= 15702 LenP2D= 49138. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 284 RedAO= T EigKep= 4.19D-04 NBF= 284 NBsUse= 284 1.00D-06 EigRej= -1.00D+00 NBFU= 284 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= 271 272 272 273 273 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -1380.86575359587 -1380.97370540643 -0.107951810562 -1381.23196976232 -0.258264355884 -1381.22993434547 0.002035416851 -1381.25904556037 -0.029111214901 -1381.26117608130 -0.002130520932 -1381.26131250421 -0.000136422911 -1381.26134017987 -0.000027675659 -1381.26134326577 -0.000003085900 -1381.26143243963 -0.000089173855 -1381.26143276779 -0.000000328162 -1381.26143265627 0.000000111520 -1381.26143295401 -0.000000297743 -1381.26143296224 -0.000000008226 -1381.26143296293 -0.000000000699 -1381.26143296304 -0.000000000103 -1381.26143296308 -0.000000000040 -1381.26143296 17 1.375222747396e+03 -7.376425506273e+03 2.549637429944e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=830769595. IVT= 264490 IEndB= 264490 NGot= 939524096 MDV= 120328922 LenX= 120328922 LenY= 120247825 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 40470 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 46. Will process 47 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 939523348 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=830518606. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 40470 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 1.72D-14 1.00D-09 XBig12= 5.30D+02 1.27D+01. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 1.72D-14 1.00D-09 XBig12= 7.72D+01 1.58D+00. 138 vectors produced by pass 2 Test12= 1.72D-14 1.00D-09 XBig12= 4.50D-01 1.12D-01. 138 vectors produced by pass 3 Test12= 1.72D-14 1.00D-09 XBig12= 2.70D-04 1.04D-03. 83 vectors produced by pass 4 Test12= 1.72D-14 1.00D-09 XBig12= 4.25D-08 1.51D-05. 6 vectors produced by pass 5 Test12= 1.72D-14 1.00D-09 XBig12= 3.47D-12 1.22D-07. 3 vectors produced by pass 6 Test12= 1.72D-14 1.00D-09 XBig12= 2.15D-15 3.51D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 644 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 235.15 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 298.444 -30.765 213.301 13.261 29.091 193.705 504.998 -76.916 366.968 21.763 93.744 383.690 (Enter /mnt/data/applications/G09/g09/l716.exe) PT6055.600S 2017-07-13T05:04:29.000+02:00 -100.69102 -18.79436 -14.02185 -13.98731 -9.96722 -9.95563 -9.95203 -9.94333 -9.92394 -9.91511 -9.91292 -9.90936 -9.90918 -9.90907 -9.90727 -9.90713 -9.90486 -9.90447 -9.90385 -9.89997 -9.89903 -9.89479 -9.89373 -9.17004 -6.99566 -6.98212 -6.98188 -0.97071 -0.86978 -0.83202 -0.79603 -0.77423 -0.75350 -0.72135 -0.70198 -0.68669 -0.67912 -0.65697 -0.63826 -0.63396 -0.61633 -0.58745 -0.57142 -0.55635 -0.53930 -0.52956 -0.52420 -0.50629 -0.47534 -0.45659 -0.43957 -0.43788 -0.43541 -0.42572 -0.42002 -0.41824 -0.40736 -0.40279 -0.39476 -0.38968 -0.37709 -0.37285 -0.36360 -0.35597 -0.35315 -0.35176 -0.34060 -0.33910 -0.33250 -0.32950 -0.32652 -0.32211 -0.31909 -0.31469 -0.31282 -0.30020 -0.29686 -0.29504 -0.28617 -0.28368 -0.27579 -0.25853 -0.24948 -0.22206 -0.20655 -0.19657 -0.16747 -0.15923 -0.03801 -0.03759 -0.02917 -0.02227 -0.00474 0.02889 0.06397 0.07782 0.08560 0.08995 0.09104 0.09818 0.10521 0.10727 0.10896 0.11278 0.11871 0.12261 0.12741 0.13655 0.14282 0.14452 0.14621 0.15638 0.16161 0.16362 0.16532 0.17298 0.17318 0.17754 0.18061 0.18665 0.18804 0.19294 0.19956 0.20278 0.20893 0.21164 0.21725 0.21982 0.23309 0.23534 0.24240 0.24412 0.25491 0.26128 0.26822 0.27825 0.28005 0.28807 0.29026 0.29719 0.30642 0.31130 0.31666 0.31998 0.32496 0.32729 0.33508 0.33905 0.34018 0.34470 0.35353 0.35764 0.36073 0.36584 0.36960 0.37502 0.38020 0.38293 0.38466 0.38844 0.39322 0.39553 0.40093 0.40735 0.40825 0.41202 0.41880 0.42870 0.43623 0.43741 0.44574 0.45549 0.46433 0.46708 0.48516 0.49139 0.49692 0.50837 0.51518 0.51801 0.52778 0.53734 0.54735 0.55760 0.56719 0.57417 0.59672 0.61627 0.61948 0.62816 0.63579 0.64229 0.65839 0.66055 0.66466 0.67176 0.69740 0.69892 0.71530 0.72084 0.73062 0.75017 0.75163 0.77770 0.78311 0.80428 0.81356 0.82062 0.84067 0.86520 0.87852 0.89958 0.90729 0.92507 0.92624 0.94187 0.94316 0.95444 0.96527 0.97013 0.98309 0.99369 1.01932 1.02715 1.02930 1.04592 1.05260 1.07246 1.08495 1.09494 1.10740 1.11826 1.12949 1.13370 1.13523 1.15158 1.16444 1.18220 1.19503 1.20595 1.22198 1.23728 1.26328 1.27239 1.28527 1.28575 1.30455 1.34060 1.36946 1.39681 1.43398 1.45710 1.48142 1.50244 1.50869 1.61819 1.73252 5.88716 5.92017 5.92646 8.83398 22.29300 22.35705 22.50768 22.54357 22.54997 22.56566 22.59080 22.60006 22.60704 22.62367 22.64212 22.66510 22.67881 22.70436 22.70966 22.71371 22.72410 22.79751 22.80168 31.52373 31.59924 41.52008 217.73688 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 Cl O N N C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.081708 -0.447427 -0.286121 -0.099462 -0.416558 0.283193 0.166963 -0.574719 -0.525425 0.207595 0.364430 -0.422812 -0.348169 0.144752 -0.351764 -0.242832 -0.359853 -0.433397 -0.219473 -0.155303 -0.310720 -0.617918 -0.612536 0.200296 0.270430 0.211760 0.251608 0.242360 0.221948 0.204078 0.243026 0.192340 0.215587 0.249785 0.268295 0.232558 0.218169 0.225148 0.254779 0.189292 0.223713 0.224009 0.188157 0.235717 0.218930 0.357280 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 Cl O N N C C C C C C C C C C C C C C C C C C C -0.081708 -0.090147 -0.286121 -0.099462 0.054167 0.283193 0.166963 -0.111351 -0.061117 0.207595 0.364430 0.024292 0.059758 0.144752 -0.101979 0.025463 -0.127295 -0.215227 0.005675 -0.155303 -0.055941 0.019095 0.030269 0.00000 1.65456373e+00 -5.14381734e-02 -1.29922005e-01 2.98443880e+02 -3.07648954e+01 2.13301136e+02 1.32607623e+01 2.90913537e+01 1.93704608e+02 -4.1216 -0.0013 -0.0012 0.0001 5.5800 7.2274 19.7879 24.5910 37.8378 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 19.5842 24.5600 37.8091 43.1116 67.2421 69.7951 99.0161 111.2249 138.6378 156.9626 186.0801 202.4369 222.9823 227.1340 233.2415 269.5661 293.1184 301.5119 314.9869 339.4141 347.7140 351.1206 364.4708 378.2028 388.2991 401.3127 412.8054 436.4437 445.5544 493.8866 502.4820 526.7031 536.9602 554.0402 564.0613 597.8551 620.6839 642.2904 657.3430 697.0932 727.1135 740.1788 741.7015 773.9737 786.3279 797.5085 826.5045 847.0139 854.2744 865.4813 878.1134 894.3950 932.3778 944.4395 949.3027 968.2058 995.4169 1015.6157 1035.4766 1048.2337 1056.6141 1075.6793 1078.7412 1087.3610 1097.0544 1107.9892 1126.2917 1136.0581 1151.9414 1158.2612 1166.6246 1183.8737 1198.0582 1213.3046 1215.3422 1225.7844 1238.3585 1257.3628 1263.5947 1268.9174 1288.1150 1296.1080 1316.5571 1323.5336 1346.6079 1352.8282 1357.5320 1365.1142 1373.4212 1393.6210 1408.2126 1418.1048 1438.3575 1452.8541 1457.0505 1458.1571 1462.3668 1466.4746 1470.2203 1476.0354 1476.9671 1479.3231 1485.0790 1492.7854 1499.7410 1568.4786 1593.6408 1599.3224 1618.6985 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