Gaussian 09 GINC-KIMIK2065 CBGUSER 000193996 EM64L-G09RevD.01 21-Oct-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 274.2087999999998 0 1 AuxInfo=1/0/N:19,9,22,20,21,7,17,18,10,16,12,6,11,15,4,13,8,14,5,3,2,1/E:(4,5)(7,8)/CRV:3.3,4.3,5.3,7.3,8.3,10.3,11.3,13.3,14.3,16.3,17.3,18.3/rA:47OONCCCCC3CCC3C3C3C3C3C3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s1s4;s3;s6;s5;s4;s7;s8;s8;s10;s2s11;s14;s12s15;s13;s13;s15;s17;s18;s20s21;s4;s5;s3;s6;s6;s7;s7;s9;s9;s9;s10;s10;s11;s12;s1;s16;s17;s18;s19;s19;s19;s20;s21;s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-16972.inp" -scrdir="/scratch/" chk=000193996.chk nprocshared=4 mem=3GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000193996 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 16 16 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 1 1 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 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 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 1 1 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 15 15 16 17 17 18 18 19 19 19 20 20 21 21 22 5 37 14 47 4 6 25 5 9 23 8 24 7 26 27 10 28 29 11 12 30 31 32 13 33 34 14 35 16 36 17 18 15 16 19 38 20 39 21 40 41 42 43 22 44 22 45 46 1.4353 0.979 1.3801 0.9874 1.493 1.4958 1.0264 1.5648 1.5333 1.1212 1.5173 1.1189 1.5366 1.1132 1.1116 1.5355 1.1074 1.1099 1.4027 1.3985 1.0945 1.0982 1.0955 1.5053 1.1088 1.1095 1.3974 1.0878 1.4002 1.0929 1.4036 1.4032 1.4144 1.3978 1.4904 1.09 1.3971 1.088 1.3975 1.0877 1.0984 1.0984 1.1022 1.3987 1.0888 1.3983 1.0887 1.0875 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 14 4 4 6 3 3 3 5 5 9 1 1 1 4 4 8 3 3 3 7 7 26 6 6 6 10 10 28 5 5 11 4 4 4 30 30 31 7 7 7 13 13 33 8 8 14 8 8 16 10 10 17 2 2 11 14 14 16 12 12 15 13 13 20 13 13 21 15 15 15 41 41 42 17 17 22 18 18 22 20 20 21 1 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 37 47 6 25 25 5 9 23 9 23 23 4 8 24 8 24 24 7 26 27 26 27 27 10 28 29 28 29 29 11 12 12 30 31 32 31 32 32 13 33 34 33 34 34 14 35 35 16 36 36 17 18 18 11 15 15 16 19 19 15 38 38 20 39 39 21 40 40 41 42 43 42 43 43 22 44 44 22 45 45 21 46 46 110.8412 111.5935 113.019 110.129 110.0467 106.2323 113.1388 108.599 111.009 108.7776 108.9631 109.9445 110.7081 101.4946 112.8918 111.442 109.7914 109.0046 107.7995 113.0706 109.987 110.2124 106.6976 111.0555 110.5935 109.7859 109.8149 109.963 105.4824 119.6179 120.6583 119.6953 111.7747 111.6213 111.6408 108.026 107.3297 106.1641 110.5807 110.165 110.0617 110.4711 110.2196 105.2174 118.8789 120.111 120.9886 120.4809 119.9953 119.5207 120.1702 120.2927 119.5362 121.6239 115.8528 122.5233 117.123 121.2004 121.6757 121.285 119.3456 119.3691 120.1163 119.9931 119.8904 120.1082 120.0691 119.8226 111.4836 111.3883 111.71 107.7828 107.1128 107.1224 120.2386 119.8343 119.9272 120.2452 119.8216 119.9332 119.7552 120.112 120.1328 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 37 37 37 47 47 6 6 6 25 25 25 4 4 4 25 25 25 3 3 3 9 9 9 23 23 23 3 3 3 5 5 5 23 23 23 1 1 4 4 24 24 3 3 3 26 26 26 27 27 27 6 6 6 28 28 28 29 29 29 5 5 12 12 5 5 11 11 7 7 33 33 34 34 8 8 35 35 8 8 36 36 10 10 18 18 10 10 17 17 2 2 11 11 14 14 19 19 14 14 14 16 16 16 13 13 39 39 13 13 40 40 17 17 44 44 18 18 45 45 1 1 1 2 2 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 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 21 5 5 5 14 14 4 4 4 4 4 4 6 6 6 6 6 6 5 5 5 5 5 5 5 5 5 9 9 9 9 9 9 9 9 9 8 8 8 8 8 8 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 18 15 15 15 15 16 16 16 16 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 22 4 8 24 11 15 5 9 23 5 9 23 7 26 27 7 26 27 1 8 24 1 8 24 1 8 24 30 31 32 30 31 32 30 31 32 11 12 11 12 11 12 10 28 29 10 28 29 10 28 29 13 33 34 13 33 34 13 33 34 14 35 14 35 16 36 16 36 17 18 17 18 17 18 2 15 2 15 15 38 15 38 20 39 20 39 21 40 21 40 16 19 16 19 12 38 12 38 41 42 43 41 42 43 22 44 22 44 22 45 22 45 21 46 21 46 20 46 20 46 -61.8939 63.5263 -179.9694 2.8707 -177.1856 -159.7354 78.2267 -42.8822 76.7332 -45.3046 -166.4135 -177.534 63.1081 -54.5856 -53.9573 -173.3152 68.9911 -147.7936 88.0433 -36.0614 -24.4109 -148.5739 87.3213 95.4727 -28.6903 -152.7951 -49.6155 71.5005 -169.8516 -168.9396 -47.8236 70.8243 71.2874 -167.5966 -48.9488 10.3672 -171.5795 134.1102 -47.8366 -100.8833 77.1699 -175.0619 62.7512 -53.2397 -57.073 -179.2599 64.7491 60.2952 -61.8917 -177.8826 -178.9542 -56.5516 59.0299 -56.316 66.0867 -178.3319 59.327 -178.2704 -62.6889 179.2222 0.8878 1.15 -177.1844 -179.2666 0.0883 -1.2149 178.14 -85.8417 93.8037 151.9349 -28.4197 36.0814 -144.2732 179.7123 -0.2275 -1.9684 178.0917 0.3334 -179.8635 -179.0246 0.7785 179.8428 -0.0102 0.1947 -179.6583 -179.8609 0.0693 -0.2132 179.717 179.4281 -0.238 -0.6288 179.7051 0.5735 -179.2295 -179.7621 0.4349 121.9587 -117.6012 2.1523 -57.6921 62.748 -177.4985 -0.047 179.9757 179.8061 -0.1712 0.0843 -179.931 -179.8461 0.1386 -0.0831 179.9484 179.8942 -0.0743 0.0645 -179.967 -179.9202 0.0483 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 260 282 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 16653 NPrTT= 83973 LenC2= 13316 LenP2D= 40905. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 270 RedAO= T EigKep= 4.75D-04 NBF= 270 NBsUse= 270 1.00D-06 EigRej= -1.00D+00 NBFU= 270 Using GEDIIS/GDIIS optimizer. local minimum Step number 32 out of a maximum of 260 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00055 0.00081 0.00086 0.00200 0.00302 0.00309 0.00341 0.00461 0.00653 0.00973 0.01304 0.01525 0.01558 0.01650 0.01655 0.01985 0.02055 0.02067 0.02077 0.02087 0.02092 0.02104 0.02110 0.02116 0.02117 0.02122 0.02128 0.02155 0.02204 0.02310 0.03542 0.03880 0.04174 0.04190 0.04558 0.04795 0.05103 0.05372 0.05408 0.05419 0.05535 0.05707 0.06257 0.06981 0.07298 0.08194 0.08912 0.08934 0.09181 0.12116 0.12194 0.12695 0.12863 0.14421 0.15190 0.15589 0.15902 0.15919 0.15986 0.15997 0.16001 0.16002 0.16009 0.16017 0.16031 0.16048 0.16202 0.16235 0.16411 0.18173 0.18869 0.20588 0.21641 0.21798 0.22007 0.22038 0.22363 0.22503 0.22903 0.23413 0.23592 0.24003 0.24738 0.24945 0.25213 0.25602 0.25923 0.28682 0.29050 0.29595 0.31386 0.31626 0.31723 0.32185 0.32201 0.32329 0.32451 0.32670 0.32710 0.32830 0.32893 0.33237 0.33352 0.33757 0.33829 0.33936 0.34021 0.34377 0.34428 0.34824 0.34906 0.34969 0.35002 0.35065 0.35102 0.35163 0.35298 0.38846 0.40368 0.41610 0.41688 0.41817 0.42151 0.43363 0.45046 0.45364 0.45675 0.45745 0.45842 0.46389 0.47290 0.48098 0.49299 0.50273 0.51641 RFO step: Lambda=-4.71804043D-08. 1 2 0.00131267 0.00000086 0.00000049 0.00000005 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 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 2.80618 1.87557 2.66926 1.86978 2.80987 2.79367 1.94754 2.95329 2.93149 2.09948 2.90418 2.09583 2.91360 2.09643 2.11383 2.93630 2.09687 2.09042 2.68375 2.67604 2.08860 2.09138 2.08366 2.87583 2.09429 2.09387 2.66635 2.07513 2.67248 2.06537 2.68154 2.68188 2.68479 2.67141 2.86029 2.07285 2.67093 2.07398 2.67049 2.07420 2.08512 2.08948 2.08938 2.67242 2.07135 2.67270 2.07142 2.07082 1.88034 1.92719 2.03987 1.94545 1.95014 1.89406 1.97991 1.85933 1.93930 1.88954 1.89812 1.93213 1.91202 1.78349 2.02064 1.88040 1.92001 1.93461 1.88088 1.98223 1.91017 1.89590 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0.01000 0.00413 -3.12976 3.13112 -0.05553 -0.01242 3.08413 -1.56239 1.54350 2.60400 -0.57329 0.55424 -2.62306 -3.13641 0.00866 -0.00266 -3.14077 0.00844 -3.14072 -3.08711 0.04692 3.10414 -0.04193 -0.00259 3.13452 -3.10399 0.04374 0.00281 -3.13265 3.13234 -0.00235 -0.01255 3.13595 0.00404 -3.13006 3.13856 0.00446 3.13838 -1.03347 1.02731 0.00412 2.11545 -2.10695 0.00033 3.13769 -3.13677 0.00059 -0.00075 -3.13750 3.13467 -0.00208 0.00178 3.13876 -3.13558 0.00141 -0.00157 -3.13856 3.13518 -0.00181 0.00003 -0.00002 0.00001 0.00000 -0.00004 -0.00004 -0.00002 0.00001 0.00001 0.00000 -0.00003 0.00000 0.00001 0.00001 0.00000 -0.00003 0.00000 0.00001 0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00001 0.00002 0.00000 0.00002 -0.00001 0.00002 -0.00002 -0.00001 0.00000 0.00000 0.00000 0.00002 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00002 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00002 0.00000 0.00000 0.00002 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0.00040 0.00044 0.00045 0.00040 0.00044 0.00040 0.00035 0.00039 0.00019 0.00023 0.00018 0.00020 0.00024 0.00019 0.00021 0.00025 0.00021 -0.00002 -0.00008 0.00006 0.00000 0.00001 0.00001 -0.00008 -0.00007 -0.00141 -0.00113 -0.00146 -0.00118 -0.00132 -0.00104 -0.00009 -0.00002 -0.00003 0.00004 0.00006 0.00001 0.00006 0.00000 0.00032 0.00041 0.00005 0.00014 -0.00035 -0.00032 -0.00008 -0.00004 0.00007 0.00003 0.00001 -0.00003 -0.00003 0.00003 0.00001 0.00007 -0.00015 0.00000 -0.00004 -0.00019 -0.00004 -0.00008 0.00002 0.00003 -0.00007 -0.00006 0.00003 0.00004 0.00000 0.00000 -0.00007 -0.00008 -0.00008 -0.00009 0.00004 0.00005 0.00004 0.00005 0.00009 -0.00003 0.00003 -0.00001 -0.00008 -0.00010 -0.00003 0.00000 -0.00001 0.00002 -0.00006 0.00003 0.00004 0.00002 0.00000 -0.00008 -0.00001 0.00003 0.00005 -0.00003 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00002 -0.00003 -0.00001 0.00003 0.00000 0.00002 0.00000 0.00000 -0.00003 -0.00002 0.00000 -0.00001 0.00000 0.00004 -0.00001 -0.00004 0.00004 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00005 -0.00002 0.00003 0.00000 0.00004 -0.00001 0.00004 -0.00001 0.00003 0.00000 -0.00006 0.00003 -0.00002 -0.00010 0.00007 -0.00002 0.00004 0.00001 0.00003 -0.00003 -0.00004 0.00004 -0.00002 0.00002 -0.00004 -0.00010 0.00001 0.00007 0.00003 -0.00004 0.00003 0.00001 0.00002 0.00005 -0.00011 -0.00005 0.00003 0.00008 -0.00005 0.00002 0.00001 -0.00002 0.00006 -0.00002 -0.00003 0.00000 0.00003 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00007 -0.00009 0.00002 0.00001 -0.00014 0.00012 -0.00002 -0.00001 0.00003 0.00000 -0.00001 0.00001 0.00000 0.00002 -0.00001 0.00002 -0.00010 0.00005 -0.00001 0.00009 -0.00006 0.00001 0.00002 -0.00003 0.00000 -0.00004 0.00004 0.00000 -0.00005 0.00005 -0.00024 -0.00015 -0.00017 0.00053 0.00030 -0.00074 -0.00081 -0.00074 -0.00083 -0.00089 -0.00083 0.00003 0.00006 0.00007 0.00011 0.00013 0.00014 -0.00062 -0.00067 -0.00074 -0.00056 -0.00060 -0.00068 -0.00061 -0.00066 -0.00073 -0.00053 -0.00055 -0.00050 -0.00057 -0.00060 -0.00054 -0.00056 -0.00058 -0.00053 0.00131 0.00148 0.00139 0.00155 0.00143 0.00159 0.00018 0.00018 0.00022 0.00020 0.00020 0.00024 0.00019 0.00018 0.00022 0.00056 0.00052 0.00051 0.00054 0.00049 0.00049 0.00062 0.00058 0.00057 0.00018 -0.00001 0.00002 -0.00017 -0.00028 -0.00028 -0.00012 -0.00012 0.00062 0.00046 0.00064 0.00048 0.00064 0.00048 -0.00015 0.00009 0.00004 0.00028 0.00011 0.00003 0.00011 0.00003 -0.00019 -0.00021 -0.00004 -0.00005 0.00011 0.00016 -0.00004 0.00001 0.00013 0.00010 -0.00009 -0.00013 -0.00001 0.00007 0.00003 0.00010 0.00073 0.00066 0.00056 0.00069 0.00063 0.00053 0.00005 -0.00002 0.00006 -0.00001 0.00011 0.00005 0.00006 0.00000 0.00002 -0.00006 0.00009 0.00002 -0.00010 -0.00002 -0.00004 0.00004 0.00013 -0.00003 0.00001 0.00000 -0.00014 -0.00016 -0.00005 -0.00001 0.00004 0.00002 -0.00008 0.00002 0.00006 0.00002 0.00002 -0.00014 0.00000 0.00002 0.00006 -0.00005 0.00000 -0.00001 0.00000 0.00000 0.00003 0.00000 -0.00007 -0.00003 0.00006 0.00000 0.00003 -0.00002 0.00009 -0.00008 -0.00004 -0.00001 0.00000 -0.00001 0.00004 0.00000 -0.00002 0.00000 0.00001 0.00002 0.00000 -0.00002 0.00000 0.00000 0.00003 0.00000 0.00009 0.00003 0.00011 0.00002 -0.00004 0.00002 0.00006 -0.00001 -0.00004 -0.00001 0.00001 -0.00014 0.00005 0.00001 0.00005 0.00002 0.00003 0.00003 -0.00004 -0.00001 -0.00004 -0.00001 -0.00004 -0.00011 0.00007 0.00009 0.00000 0.00000 -0.00004 0.00004 -0.00006 0.00002 -0.00001 -0.00003 -0.00001 0.00008 0.00012 0.00000 0.00005 -0.00006 -0.00004 -0.00006 -0.00007 -0.00004 0.00011 0.00002 -0.00002 0.00001 0.00006 -0.00004 -0.00002 0.00012 -0.00015 0.00003 0.00002 -0.00022 0.00020 -0.00005 0.00001 0.00003 0.00000 0.00000 -0.00001 0.00001 0.00003 -0.00004 0.00004 -0.00001 0.00000 0.00005 0.00002 -0.00011 0.00001 0.00003 -0.00004 0.00001 -0.00007 0.00006 -0.00001 -0.00005 0.00007 0.00029 0.00036 0.00036 0.00075 0.00047 0.00013 0.00007 0.00013 -0.00015 -0.00021 -0.00015 0.00040 0.00042 0.00043 0.00064 0.00066 0.00067 -0.00028 -0.00033 -0.00044 -0.00028 -0.00033 -0.00045 -0.00031 -0.00035 -0.00047 0.00024 0.00018 0.00029 0.00020 0.00015 0.00026 0.00021 0.00015 0.00026 0.00109 0.00117 0.00112 0.00120 0.00122 0.00130 0.00063 0.00058 0.00066 0.00065 0.00060 0.00068 0.00058 0.00053 0.00062 0.00075 0.00075 0.00069 0.00074 0.00073 0.00068 0.00083 0.00083 0.00078 0.00015 -0.00010 0.00008 -0.00017 -0.00028 -0.00027 -0.00020 -0.00019 -0.00079 -0.00067 -0.00082 -0.00070 -0.00068 -0.00056 -0.00024 0.00006 0.00002 0.00032 0.00018 0.00004 0.00017 0.00003 0.00013 0.00021 0.00001 0.00009 -0.00024 -0.00015 -0.00012 -0.00003 0.00020 0.00013 -0.00009 -0.00016 -0.00003 0.00010 0.00004 0.00017 0.00058 0.00067 0.00052 0.00051 0.00059 0.00045 0.00008 0.00001 0.00000 -0.00007 0.00015 0.00009 0.00006 0.00000 -0.00005 -0.00014 0.00001 -0.00007 -0.00006 0.00003 0.00000 0.00009 2.80632 1.87555 2.66927 1.86978 2.80974 2.79351 1.94749 2.95328 2.93153 2.09950 2.90410 2.09585 2.91366 2.09645 2.11385 2.93616 2.09687 2.09044 2.68381 2.67599 2.08860 2.09136 2.08366 2.87583 2.09431 2.09387 2.66628 2.07510 2.67254 2.06538 2.68157 2.68186 2.68488 2.67133 2.86025 2.07284 2.67093 2.07397 2.67053 2.07421 2.08509 2.08949 2.08939 2.67244 2.07135 2.67268 2.07141 2.07081 1.88038 1.92719 2.03996 1.94548 1.95025 1.89408 1.97987 1.85936 1.93936 1.88953 1.89807 1.93212 1.91203 1.78335 2.02069 1.88041 1.92007 1.93463 1.88091 1.98226 1.91014 1.89589 1.85759 1.95974 1.91319 1.90737 1.90150 1.92075 1.85855 2.05916 2.15694 2.06709 1.92524 1.92794 1.95101 1.89472 1.89304 1.87007 1.96235 1.89738 1.89616 1.91930 1.92141 1.86440 2.10334 2.07436 2.10546 2.09609 2.07413 2.11207 2.11046 2.10706 2.06514 2.12795 2.02875 2.12648 2.03733 2.10361 2.14222 2.13593 2.08232 2.06491 2.11120 2.08246 2.08952 2.11134 2.08258 2.08925 1.93749 1.94000 1.93968 1.89515 1.89509 1.85370 2.09661 2.09254 2.09403 2.09653 2.09297 2.09368 2.08555 2.09891 2.09871 -1.33577 0.91342 2.94892 0.02573 -3.11945 -2.93207 1.18668 -0.90101 1.07852 -1.08592 3.10958 3.03846 0.94862 -1.10461 -0.97437 -3.06420 1.16575 -2.84129 1.25262 -0.90472 -0.65289 -2.84216 1.28368 1.43037 -0.75889 -2.91624 -0.94303 1.15175 -3.05082 -3.08261 -0.98784 1.09278 1.12242 -3.06599 -0.98538 0.56568 -2.57777 2.76518 -0.37827 -1.38153 1.75820 3.13154 1.01552 -1.01523 -1.07939 3.08777 1.05703 0.94206 -1.17397 3.07847 -3.12269 -0.99339 1.02938 -0.99997 1.12933 -3.13109 1.03167 -3.12221 -1.09944 -3.13914 0.00991 0.00421 -3.12993 3.13084 -0.05580 -0.01261 3.08393 -1.56318 1.54283 2.60318 -0.57399 0.55356 -2.62361 -3.13665 0.00873 -0.00265 -3.14045 0.00862 -3.14068 -3.08693 0.04695 3.10426 -0.04172 -0.00259 3.13461 -3.10423 0.04359 0.00269 -3.13268 3.13254 -0.00222 -0.01264 3.13579 0.00400 -3.12996 3.13860 0.00464 3.13896 -1.03280 1.02784 0.00463 2.11605 -2.10650 0.00041 3.13770 -3.13677 0.00052 -0.00061 -3.13741 3.13473 -0.00207 0.00173 3.13863 -3.13556 0.00134 -0.00163 -3.13853 3.13518 -0.00172 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000043 0.000010 0.005917 0.001313 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -9.327324e-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 1 2 2 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 15 15 16 17 17 18 18 19 19 19 20 20 21 21 22 5 37 14 47 4 6 25 5 9 23 8 24 7 26 27 10 28 29 11 12 30 31 32 13 33 34 14 35 16 36 17 18 15 16 19 38 20 39 21 40 41 42 43 22 44 22 45 46 1.485 0.9925 1.4125 0.9894 1.4869 1.4783 1.0306 1.5628 1.5513 1.111 1.5368 1.1091 1.5418 1.1094 1.1186 1.5538 1.1096 1.1062 1.4202 1.4161 1.1052 1.1067 1.1026 1.5218 1.1082 1.108 1.411 1.0981 1.4142 1.0929 1.419 1.4192 1.4207 1.4136 1.5136 1.0969 1.4134 1.0975 1.4132 1.0976 1.1034 1.1057 1.1057 1.4142 1.0961 1.4143 1.0961 1.0958 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 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 5 14 4 4 6 3 3 3 5 5 9 1 1 1 4 4 8 3 3 3 7 7 26 6 6 6 10 10 28 5 5 11 4 4 4 30 30 31 7 7 7 13 13 33 8 8 14 8 8 16 10 10 17 2 2 11 14 14 16 12 12 15 13 13 20 13 13 21 15 15 15 41 41 42 17 17 22 18 18 22 20 20 21 1 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 37 47 6 25 25 5 9 23 9 23 23 4 8 24 8 24 24 7 26 27 26 27 27 10 28 29 28 29 29 11 12 12 30 31 32 31 32 32 13 33 34 33 34 34 14 35 35 16 36 36 17 18 18 11 15 15 16 19 19 15 38 38 20 39 39 21 40 40 41 42 43 42 43 43 22 44 44 22 45 45 21 46 46 107.7357 110.42 116.8757 111.4663 111.7348 108.5219 113.4404 106.532 111.114 108.2628 108.754 110.7031 109.5507 102.1865 115.7741 107.739 110.0085 110.8449 107.7667 113.5737 109.4448 108.6269 106.4344 112.2854 109.6201 109.2904 108.9439 110.0453 106.4866 117.9813 123.5855 118.4331 110.3114 110.4614 111.7855 108.5607 108.4636 107.1425 112.4279 108.7123 108.6389 109.9714 110.0912 106.8259 120.5163 118.8545 120.6277 120.0962 118.8402 121.0122 120.917 120.7279 118.3245 121.9159 116.2473 121.8366 116.7293 120.5407 122.7287 122.3824 119.3077 118.3086 120.9626 119.316 119.7209 120.9703 119.3215 119.7073 111.0078 111.1545 111.1353 108.581 108.5792 106.2155 120.1264 119.8922 119.9809 120.1218 119.9224 119.9553 119.4941 120.2619 120.2436 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 37 37 37 47 47 6 6 6 25 25 25 4 4 4 25 25 25 3 3 3 9 9 9 23 23 23 3 3 3 5 5 5 23 23 23 1 1 4 4 24 24 3 3 3 26 26 26 27 27 27 6 6 6 28 28 28 29 29 29 5 5 12 12 5 5 11 11 7 7 33 33 34 34 8 8 35 35 8 8 36 36 10 10 18 18 10 10 17 17 2 2 11 11 14 14 19 19 14 14 14 16 16 16 13 13 39 39 13 13 40 40 17 17 44 44 18 18 45 1 1 1 2 2 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 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 15 15 17 17 17 17 18 18 18 18 20 20 20 20 21 21 21 5 5 5 14 14 4 4 4 4 4 4 6 6 6 6 6 6 5 5 5 5 5 5 5 5 5 9 9 9 9 9 9 9 9 9 8 8 8 8 8 8 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 18 15 15 15 15 16 16 16 16 19 19 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 22 22 22 4 8 24 11 15 5 9 23 5 9 23 7 26 27 7 26 27 1 8 24 1 8 24 1 8 24 30 31 32 30 31 32 30 31 32 11 12 11 12 11 12 10 28 29 10 28 29 10 28 29 13 33 34 13 33 34 13 33 34 14 35 14 35 16 36 16 36 17 18 17 18 17 18 2 15 2 15 15 38 15 38 20 39 20 39 21 40 21 40 16 19 16 19 12 38 12 38 41 42 43 41 42 43 22 44 22 44 22 45 22 45 21 46 21 46 20 46 20 -76.5506 52.3145 168.94 1.4312 -178.7579 -168.0026 67.9878 -51.6312 61.8031 -62.2065 178.1744 174.0677 54.3281 -63.3143 -55.8641 -175.6037 66.754 -162.7781 71.7888 -51.8112 -37.3919 -162.825 73.575 81.9719 -43.4613 -167.0612 -54.045 65.9799 -174.8161 -176.6322 -56.6074 62.5966 64.2981 -175.6771 -56.4731 32.3485 -147.7622 158.3688 -21.7419 -79.226 100.6633 179.3883 58.1518 -58.206 -61.8816 176.8819 60.5241 53.9425 -67.294 176.3482 -178.9601 -56.9598 58.9391 -57.3365 64.6638 -179.4373 59.0628 -178.9369 -63.038 -179.8681 0.5731 0.2368 -179.3219 179.3998 -3.1814 -0.7114 176.7074 -89.5185 88.436 149.1984 -32.8471 31.7554 -150.2901 -179.7033 0.4963 -0.1524 -179.9528 0.4836 -179.95 -176.8783 2.6882 177.8539 -2.4024 -0.1486 179.595 -177.8458 2.5061 0.1607 -179.4874 179.4699 -0.1344 -0.7191 179.6766 0.2314 -179.3392 179.8262 0.2556 179.8159 -59.2135 58.8606 0.236 121.2066 -120.7192 0.0189 179.7762 -179.7237 0.0336 -0.0431 -179.7657 179.6036 -0.119 0.1018 179.838 -179.6553 0.0808 -0.0898 -179.826 179.6327 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 274.2087999999998 AuxInfo=1/0/N:19,9,22,20,21,7,17,18,10,16,12,6,11,15,4,13,8,14,5,3,2,1/E:(4,5)(7,8)/CRV:3.3,4.3,5.3,7.3,8.3,10.3,11.3,13.3,14.3,16.3,17.3,18.3/rA:47OONCCCCC3CCC3C3C3C3C3C3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s1s4;s3;s6;s5;s4;s7;s8;s8;s10;s2s11;s14;s12s15;s13;s13;s15;s17;s18;s20s21;s4;s5;s3;s6;s6;s7;s7;s9;s9;s9;s10;s10;s11;s12;s1;s16;s17;s18;s19;s19;s19;s20;s21;s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 4.971928 0.000000 3.641123 6.909898 0.000000 2.457825 6.083509 1.493021 0.000000 1.435266 4.949213 2.446212 1.564828 0.000000 4.914468 7.907308 1.495773 2.492587 3.789490 0.000000 6.107550 8.926684 2.468905 3.826829 4.888259 1.536625 0.000000 2.429451 3.688811 3.238682 2.568653 1.517281 4.378434 5.408012 0.000000 2.670869 7.092234 2.525746 1.533325 2.553469 3.205622 4.521323 3.838357 0.000000 7.421698 10.019068 3.837256 5.022934 6.231191 2.532702 1.535549 6.643569 5.599509 0.000000 2.730605 2.424790 4.605133 3.736306 2.524512 5.732784 6.806424 1.402653 4.764218 8.013674 0.000000 3.733768 4.149579 3.179498 3.042630 2.534127 4.026671 4.835470 1.398465 4.536831 5.945451 2.422107 0.000000 8.607278 11.115105 4.967748 6.297464 7.371269 3.864070 2.499798 7.762363 6.885578 1.505318 9.147075 6.976697 0.000000 4.124979 1.380078 5.590096 4.872866 3.802468 6.570935 7.554106 2.411077 6.021699 8.654641 1.397367 2.770429 9.738688 0.000000 5.044205 2.368013 5.591996 5.174026 4.352651 6.371207 7.184329 2.835460 6.522332 8.154354 2.465435 2.438643 9.147985 1.414395 0.000000 4.853120 3.636032 4.513335 4.381700 3.823307 5.176544 5.869488 2.429575 5.855413 6.813090 2.803723 1.400210 7.764901 2.399342 1.397753 0.000000 9.223363 11.175622 5.624767 6.990925 7.889251 4.665008 3.294173 8.051534 7.802005 2.521903 9.395020 7.078636 1.403646 9.814720 9.054602 7.657655 0.000000 9.323775 12.243960 5.752117 7.071755 8.184648 4.705300 3.368108 8.764035 7.419695 2.523079 10.164457 8.108997 1.403211 10.865393 10.368989 8.998626 2.425109 0.000000 6.489746 2.788466 6.978996 6.620617 5.842989 7.640917 8.364134 4.325787 7.974341 9.211585 3.827247 3.811788 10.132349 2.530976 1.490399 2.522467 9.884253 11.416624 0.000000 10.425887 12.344872 6.846977 8.262423 9.090110 5.973266 4.525098 9.262172 9.042866 3.806036 10.598016 8.275495 2.426935 10.992684 10.195764 8.805182 1.397094 2.796424 10.965666 0.000000 10.515129 13.317959 6.952201 8.331245 9.347528 6.005136 4.579480 9.886839 8.716453 3.807093 11.284611 9.170770 2.426845 11.938418 11.376813 9.991057 2.796256 1.397541 12.361949 2.419281 0.000000 11.023823 13.368127 7.435205 8.865649 9.760364 6.548144 5.057168 10.114984 9.455000 4.311089 11.485929 9.248589 2.805776 12.000232 11.302004 9.908284 2.424131 2.424260 12.159832 1.398696 1.398306 0.000000 3.008976 5.808242 2.133982 1.121160 2.198902 2.610025 4.073860 2.609088 2.173789 5.031987 3.669000 2.868905 6.412980 4.611484 4.793407 4.023746 7.045880 7.312909 6.158115 8.385964 8.611456 9.090912 0.000000 1.987935 5.473286 2.538430 2.231733 1.118871 4.026770 4.838137 2.168788 3.059820 6.303581 3.128046 2.966671 7.274393 4.345963 4.839005 4.245958 7.756048 8.002484 6.302684 8.853328 9.070000 9.460395 3.103013 0.000000 3.803388 7.512681 1.026422 2.082644 2.781491 2.084090 2.627767 3.832774 2.646112 4.091276 5.147533 3.929196 5.036927 6.226789 6.324404 5.285768 5.775241 5.613172 7.734648 6.882126 6.747527 7.314715 2.984226 2.505639 0.000000 5.143406 7.486280 2.120029 2.747722 3.981848 1.113192 2.183981 4.218420 3.682819 2.759198 5.504355 3.663149 4.163440 6.163175 5.822151 4.622847 4.767602 5.207278 6.991672 6.145891 6.492467 6.894280 2.404600 4.429001 2.978284 0.000000 5.140561 8.542431 2.185433 2.762546 4.254598 1.111605 2.185680 5.041663 2.928766 2.787978 6.324942 4.893777 4.172714 7.256262 7.181903 6.071729 5.203366 4.780373 8.476175 6.483412 6.150352 6.889353 2.860557 4.571104 2.545911 1.784920 0.000000 6.232040 9.488859 2.748780 4.129843 5.118497 2.187353 1.107369 5.866777 4.572989 2.176465 7.261581 5.471209 2.719711 8.129646 7.880564 6.605480 3.663775 3.147402 9.124227 4.679660 4.288870 4.942028 4.621082 4.880326 2.471571 3.107762 2.545734 0.000000 6.193861 8.526113 2.660864 4.088438 4.854699 2.178948 1.109924 5.145104 5.057131 2.180277 6.528597 4.382887 2.746953 7.146886 6.648950 5.291298 3.060396 3.792204 7.754655 4.239143 4.793417 4.980988 4.334341 4.700270 2.868932 2.551495 3.103198 1.764764 0.000000 3.763763 8.023119 2.736902 2.189564 3.511883 2.902323 4.166031 4.706637 1.094522 5.033958 5.720809 5.191691 6.338986 6.910948 7.280405 6.493368 7.383526 6.769351 8.698678 8.619465 8.101313 8.939851 2.602460 3.955842 2.828760 3.459589 2.273602 4.187197 4.908077 0.000000 2.618974 7.438115 2.900281 2.190426 2.723690 3.804579 4.893761 4.199677 1.098171 6.097994 5.068949 5.017628 7.246483 6.410131 7.009442 6.379870 8.177871 7.651673 8.492596 9.332415 8.876574 9.650091 3.095402 2.867265 2.632974 4.471273 3.578652 4.713269 5.382555 1.774220 0.000000 2.567276 6.853127 3.470586 2.188660 2.904384 4.090783 5.500421 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AuxInfo=1/0/N:19,9,22,20,21,7,17,18,10,16,12,6,11,15,4,13,8,14,5,3,2,1/E:(4,5)(7,8)/CRV:3.3,4.3,5.3,7.3,8.3,10.3,11.3,13.3,14.3,16.3,17.3,18.3/rA:47OONCCCCC3CCC3C3C3C3C3C3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s1s4;s3;s6;s5;s4;s7;s8;s8;s10;s2s11;s14;s12s15;s13;s13;s15;s17;s18;s20s21;s4;s5;s3;s6;s6;s7;s7;s9;s9;s9;s10;s10;s11;s12;s1;s16;s17;s18;s19;s19;s19;s20;s21;s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.049266 0.000000 3.770007 6.889185 0.000000 2.507666 6.323879 1.486922 0.000000 1.484969 5.002859 2.475822 1.562812 0.000000 5.019858 8.122566 1.478347 2.526629 3.845644 0.000000 6.254279 8.790501 2.486937 3.862961 4.928685 1.541813 0.000000 2.468675 3.762456 3.161000 2.625434 1.536824 4.433412 5.288762 0.000000 2.798932 7.462883 2.540183 1.551278 2.568165 3.169129 4.585625 3.952176 0.000000 7.574410 10.169227 3.874109 5.093308 6.325715 2.570710 1.553823 6.689480 5.609825 0.000000 2.802899 2.468469 4.545959 3.891646 2.535110 5.850683 6.675022 1.420179 5.023064 8.090950 0.000000 3.752157 4.222978 3.092408 3.047364 2.602872 4.059481 4.670197 1.416101 4.575232 5.972841 2.436671 0.000000 8.809367 11.012890 5.043007 6.391628 7.476823 3.926945 2.556295 7.716280 6.980583 1.521826 9.070382 6.896293 0.000000 4.178981 1.412511 5.540727 5.057620 3.845158 6.734643 7.397553 2.458207 6.310925 8.762414 1.410973 2.811061 9.628748 0.000000 5.073428 2.405963 5.536364 5.321076 4.417172 6.525275 6.999814 2.881616 6.747033 8.255956 2.474707 2.477866 9.012265 1.420730 0.000000 4.858581 3.686061 4.439560 4.445612 3.888702 5.270221 5.676090 2.452312 5.963094 6.876998 2.801612 1.414214 7.639992 2.413203 1.413649 0.000000 9.496256 11.094076 5.795546 7.133317 8.105911 4.774891 3.406218 8.086688 7.932114 2.559024 9.376471 7.069887 1.419007 9.737144 8.936052 7.567765 0.000000 9.496935 11.922332 5.764674 7.145147 8.193616 4.751748 3.394110 8.581153 7.553345 2.556790 9.919773 7.896968 1.419192 10.560010 10.039984 8.711090 2.436942 0.000000 6.530013 2.814786 6.947745 6.802604 5.930105 7.839452 8.181346 4.395074 8.241414 9.350045 3.856267 3.876279 9.981437 2.548516 1.513601 2.569651 9.721252 11.050209 0.000000 10.711638 12.048153 7.015684 8.406384 9.287551 6.087778 4.637658 9.213003 9.215775 3.861303 10.448359 8.174551 2.464745 10.733088 9.880665 8.562131 1.413396 2.819775 10.555971 0.000000 10.711951 12.816544 6.989872 8.416185 9.364107 6.069369 4.628532 9.650757 8.890737 3.859688 10.939509 8.901105 2.464797 11.486430 10.891496 9.589880 2.819917 1.413163 11.794023 2.443297 0.000000 11.275263 12.878444 7.545270 8.985242 9.866250 6.644821 5.145323 9.941998 9.648511 4.374562 11.186787 9.029514 2.853246 11.569790 10.821480 9.525885 2.450314 2.450183 11.567932 1.414183 1.414332 0.000000 2.926964 6.275675 2.094132 1.110997 2.182868 2.690219 4.086789 2.749755 2.179217 5.137991 3.991530 2.885977 6.501167 4.988598 5.094182 4.161748 7.113711 7.424608 6.506600 8.445474 8.709384 9.167954 0.000000 2.032359 5.341084 2.625560 2.174535 1.109068 4.084797 4.961509 2.181340 2.897389 6.438282 2.973258 3.197009 7.466787 4.271996 4.906023 4.430834 8.164677 8.019176 6.391483 9.256832 9.128121 9.700685 3.075512 0.000000 3.967159 7.159558 1.030596 2.096342 2.710125 2.091897 2.691841 3.547028 2.797982 4.145976 4.819760 3.665124 5.144042 5.873562 5.980990 4.982253 5.997829 5.635020 7.396654 7.105573 6.801020 7.463060 2.974820 2.416703 0.000000 5.170208 7.998941 2.101699 2.726966 4.074528 1.109384 2.178702 4.438556 3.500309 2.827654 5.837017 3.885992 4.239712 6.602846 6.272968 4.978775 4.868332 5.286718 7.517856 6.252107 6.583765 6.999553 2.416242 4.572718 2.980416 0.000000 5.306873 8.949316 2.181614 2.887530 4.342867 1.118588 2.174891 5.200252 2.945310 2.754722 6.589780 5.021025 4.176067 7.590027 7.497370 6.290537 5.238279 4.797823 8.852769 6.536318 6.187799 6.944411 3.128336 4.529932 2.552777 1.784416 0.000000 6.394105 9.057165 2.726372 4.163649 5.077790 2.181139 1.109618 5.576342 4.734220 2.182907 6.910000 5.134729 2.776699 7.706283 7.425372 6.184875 3.788743 3.153389 8.639712 4.808467 4.324009 5.033890 4.644782 4.866307 2.491996 3.096071 2.553677 0.000000 6.343439 8.212067 2.720275 4.098227 4.922741 2.174342 1.106203 4.958762 5.121418 2.194621 6.285282 4.116948 2.806042 6.827480 6.274815 4.928918 3.201703 3.806555 7.350557 4.372354 4.833774 5.072266 4.226746 4.990163 2.999505 2.508456 3.090443 1.775281 0.000000 3.871552 8.398488 2.767264 2.195067 3.529351 2.840338 4.266259 4.792270 1.105237 5.030198 5.965923 5.177572 6.457728 7.188006 7.477455 6.553764 7.485352 7.011253 8.941781 8.794353 8.393209 9.200383 2.547372 3.858359 3.101655 3.137219 2.284782 4.487020 4.975114 0.000000 2.971249 7.714638 2.860723 2.198087 2.791457 3.641648 4.854659 4.300791 1.106709 5.959161 5.273885 5.062079 7.215225 6.626135 7.173356 6.461131 8.249616 7.605293 8.685714 9.452754 8.894237 9.745415 3.102565 2.689478 2.703535 4.229494 3.358608 4.746028 5.431460 1.795842 0.000000 2.519631 7.380198 3.493451 2.211761 2.857902 4.131186 5.604389 4.185306 1.102628 6.578059 5.043805 4.971902 7.990746 6.343423 6.913149 6.284686 8.903438 8.609255 8.387215 10.215841 9.959562 10.697527 2.517318 3.358883 3.820054 4.267379 3.906993 5.818236 6.087643 1.791436 1.777625 0.000000 7.707458 10.786952 4.146328 5.232223 6.581842 2.779293 2.178873 7.168138 5.435822 1.108249 8.584561 6.622571 2.167086 9.384520 9.001936 7.650965 3.414557 2.707652 10.177167 4.597925 4.098889 4.875216 5.342108 6.665581 4.341180 3.147267 2.496589 2.532096 3.098442 4.698542 5.732077 6.390151 0.000000 7.691635 10.104595 4.161592 5.205658 6.485897 2.793788 2.177750 6.718571 5.804147 1.108028 8.109688 5.884334 2.168449 8.693979 8.092024 6.688518 2.708411 3.417690 9.118252 4.101083 4.601565 4.878489 5.010083 6.776717 4.666778 2.595385 3.065807 3.090654 2.534515 5.195325 6.336736 6.666377 1.779564 0.000000 2.442357 2.729023 5.030066 4.196237 2.700294 6.404869 7.323977 2.174386 5.045488 8.765524 1.098110 3.429028 9.791660 2.185269 3.468180 3.899712 10.206311 10.556977 4.733212 11.289338 11.607848 11.951560 4.435424 2.978480 5.182309 6.479360 7.014042 7.463738 7.051000 6.081211 5.159102 4.920757 9.158807 8.847056 0.000000 4.133318 5.314781 2.356598 2.694733 2.812717 3.083908 3.627996 2.166340 4.234012 4.887667 3.424236 1.092949 5.838636 3.903080 3.465972 2.187979 6.053428 6.872248 4.756051 7.211132 7.912510 8.066145 2.510424 3.352424 3.058298 2.894993 4.110454 4.191848 3.089489 4.638715 4.770797 4.807191 5.557464 4.795722 4.326462 0.000000 0.992510 4.852453 4.175232 2.804039 2.021918 5.290390 6.597583 2.571862 3.175644 7.836031 2.788541 3.730559 9.125494 4.015981 4.865979 4.708365 9.736673 9.925047 6.262693 10.996091 11.163383 11.659393 2.836426 2.857733 4.576234 5.232079 5.608476 6.887342 6.638870 4.138738 3.620571 2.689017 7.999343 7.813932 2.535281 4.180345 0.000000 5.833739 4.563183 4.854127 5.080753 4.772468 5.428512 5.620882 3.441233 6.620917 6.661741 3.898500 2.172990 7.293615 3.407772 2.161550 1.096906 7.033127 8.439873 2.769309 7.965590 9.234160 9.024006 4.703005 5.300440 5.446253 5.038674 6.501942 6.223246 4.749044 7.075428 7.171058 7.017663 7.536266 6.380845 4.996590 2.514727 5.663694 0.000000 9.221606 10.558388 5.658581 6.892588 7.845744 4.657393 3.481768 7.681051 7.812500 2.760784 8.942958 6.556230 2.177875 9.207467 8.316260 6.938983 1.097502 3.432616 9.030008 2.177223 3.917403 3.442482 6.719964 8.036664 6.029379 4.517049 5.250909 4.124770 3.080386 7.402751 8.255713 8.713184 3.739212 2.503093 9.833656 5.559706 9.360313 6.316429 0.000000 9.223827 12.060949 5.603089 6.915207 8.007438 4.615669 3.461471 8.584766 7.113132 2.757194 9.933485 8.065425 2.178199 10.702962 10.319789 9.017849 3.432728 1.097620 11.434052 3.917371 2.176963 3.442412 7.295109 7.772541 5.371046 5.289241 4.438630 3.027306 4.128849 6.524103 7.069039 8.170201 2.504225 3.742205 10.473547 7.055257 9.707200 8.870560 4.340932 0.000000 7.188796 3.905429 7.084668 7.106202 6.433158 7.804383 8.001678 4.910337 8.603263 9.049720 4.643213 4.090434 9.581092 3.464363 2.169313 2.678207 9.180351 10.701331 1.103396 9.955765 11.376754 11.035302 6.736461 6.915613 7.586428 7.414633 8.861412 8.529529 7.092688 9.197920 9.103393 8.831099 9.946106 8.751961 5.611568 4.780839 6.916934 2.416915 8.431262 11.179210 0.000000 6.790979 2.788970 7.610966 7.285166 6.398039 8.494877 8.968888 4.897894 8.652364 10.105351 4.203079 4.523569 10.822209 2.865301 2.172907 3.303692 10.575317 11.934259 1.105706 11.460989 12.728586 12.511869 6.892574 6.963062 8.123534 8.089031 9.463521 9.481999 8.188138 9.367781 9.157526 8.665816 10.895174 9.802167 4.961447 5.440286 6.387949 3.548180 9.834008 12.297209 1.793763 0.000000 6.988265 2.782131 7.495932 7.412995 6.401469 8.477663 8.730872 4.898679 8.835024 9.964016 4.203955 4.519888 10.506458 2.862650 2.172625 3.300728 10.241459 11.493115 1.105652 10.986179 12.164088 11.929719 7.252499 6.702119 7.816791 8.269541 9.497153 9.076651 7.876931 9.593599 9.164589 9.011287 10.802998 9.825064 4.961322 5.419308 6.830420 3.541299 9.619012 11.874882 1.793699 1.768569 0.000000 11.337247 12.271863 7.726544 9.085292 9.897158 6.851720 5.446221 9.670168 10.000603 4.735639 10.845189 8.533341 3.454105 10.995331 10.032817 8.750485 2.177921 3.915867 10.561337 1.096111 3.438131 2.179582 9.047658 9.913525 7.877235 6.903637 7.391469 5.703456 5.019091 9.619472 10.289008 10.970576 5.546789 4.802465 11.744567 7.623316 11.569904 8.042743 2.503782 5.013457 9.868793 11.458713 10.979324 0.000000 11.338330 13.586662 7.685333 9.101941 10.025198 6.823077 5.432837 10.402478 9.463268 4.733632 11.675440 9.741430 3.454404 12.275358 11.748086 10.476866 3.916045 2.178064 12.679602 3.437966 1.096147 2.179470 9.482755 9.699467 7.384116 7.432297 6.837544 4.966330 5.722947 8.959863 9.361979 10.543600 4.801058 5.551062 12.284988 8.774471 11.851989 10.173754 5.013527 2.503899 12.301352 13.632898 13.002391 4.346044 0.000000 12.268073 13.687282 8.565693 10.019732 10.844796 7.715188 6.202220 10.876216 10.699218 5.470357 12.081813 9.946417 3.949072 12.410742 11.629546 10.369670 3.444488 3.444220 12.300859 2.182363 2.182301 1.095829 10.219623 10.638893 8.442186 8.077128 8.023731 6.037263 6.076436 10.270132 10.760942 11.756098 5.951230 5.954804 12.854544 9.016924 12.669653 9.830003 4.348398 4.348103 11.732566 13.268514 12.607585 2.514170 2.513610 0.000000 4.738098 0.989445 7.051846 6.360977 4.935555 8.362940 9.120551 3.930541 7.342417 10.541398 2.518368 4.680698 11.440442 1.987318 3.246427 4.397188 11.628522 12.287024 3.801226 12.610570 13.221502 13.376366 6.410861 5.198023 7.247723 8.310934 9.105672 9.317989 8.635941 8.341482 7.507787 7.176010 11.081135 10.532704 2.353759 5.756484 4.594914 5.359331 11.147107 12.342657 4.887088 3.737256 3.721497 12.900682 13.946840 14.203875 0.000000 0.4169377 0.0957203 0.0807216 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= 252 252 252 253 253 MxSgAt= 47 MxSgA2= 47. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 16653 NPrTT= 83973 LenC2= 13330 LenP2D= 40800. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 270 RedAO= T EigKep= 5.31D-04 NBF= 270 NBsUse= 270 1.00D-06 EigRej= -1.00D+00 NBFU= 270 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= 254 254 254 254 254 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 0 1 -942.496153171735 -942.642563225258 -0.146410053523 -942.918162888198 -0.275599662940 -942.928799858446 -0.010636970248 -942.936674370795 -0.007874512348 -942.937434095329 -0.000759724534 -942.937454743862 -0.000020648534 -942.937458793394 -0.000004049532 -942.937290786542 0.000168006852 -942.937295336995 -0.000004550453 -942.937294251852 0.000001085144 -942.937295610950 -0.000001359098 -942.937295620211 -0.000000009261 -942.937295620538 -0.000000000327 -942.937295620602 -0.000000000064 -942.937295620618 -0.000000000016 -942.937295621 16 9.389193680767e+02 -5.514558942804e+03 1.973257606221e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 240584 IEndB= 240584 NGot= 402653184 MDV= 402502411 LenX= 402502411 LenY= 402429070 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. -3.40895434e-01 6.06044008e-01 -5.50494855e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 8 8 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 1 1 0.019132826 0.019223943 0.010972891 0.024722023 -0.001512631 -0.001736117 -0.004135445 -0.003755136 -0.020536240 -0.002228093 -0.006901620 0.009027822 -0.004854573 -0.000905233 0.003138582 0.007082215 -0.005288345 0.011063763 0.005416887 -0.001180246 -0.003010088 -0.003681871 0.006966109 0.005774174 0.000963297 0.005757871 0.000063973 -0.001998804 0.000295598 -0.006419382 -0.002019658 0.000070620 -0.000284311 -0.014293442 -0.007145674 -0.001207966 0.004369544 0.002859121 -0.010808892 -0.007527831 -0.006883536 -0.001469976 0.003073808 0.004130004 0.000699836 -0.004919451 -0.000009432 0.000110544 0.002346314 -0.002549129 -0.000034024 -0.000422939 0.003116783 0.000324186 0.012448507 -0.009441632 -0.002010583 -0.000078514 -0.010608637 0.003294476 -0.007574952 0.007289155 0.003973589 -0.007741711 -0.003328348 0.005327304 -0.003064537 0.001060774 0.008389624 -0.005244767 -0.001838111 -0.009289379 -0.000242199 0.002564538 0.004883239 -0.000848151 0.001339016 0.002761644 -0.002422833 0.002568601 -0.001202977 -0.000699060 0.002262812 -0.000599888 0.000930494 0.001235947 -0.002606506 -0.006706656 -0.000810175 -0.004135080 0.000204326 0.000699987 0.004531365 0.003465058 0.003186279 -0.004800453 0.000485804 0.001266458 0.002099137 0.001917940 -0.000395887 0.002301889 0.003184656 0.004755703 0.001539832 -0.000677595 0.003161723 0.000912469 0.003002690 -0.000272522 -0.009717418 -0.001937085 -0.004333139 -0.000520563 0.004300955 -0.003403164 -0.002659537 0.000774102 0.005766522 -0.002554447 -0.002504523 -0.003871998 0.002702619 -0.002461352 -0.002739470 -0.004071237 -0.000804790 0.000779278 0.000046957 -0.000619793 -0.004920982 0.001283434 -0.003923214 0.003052911 0.001536309 -0.004516441 -0.001915849 0.002902267 0.000328835 0.000601144 0.000013137 0.024722023 0.005648912 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -942.949600478172 -942.949719699280 -0.000119221108 -942.949697554320 0.000022144959 -942.949699975091 -0.000002420770 -942.949700253508 -0.000000278418 -942.949701537585 -0.000001284077 -942.949701659648 -0.000000122062 -942.949701661950 -0.000000002302 -942.949701662105 -0.000000000155 -942.949701662167 -0.000000000062 -942.949701662 10 9.380289887764e+02 -5.485137767033e+03 1.959065750515e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 240584 IEndB= 240584 NGot= 402653184 MDV= 402502411 LenX= 402502411 LenY= 402429070 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 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 -18.787033 -18.759475 -13.982425 -9.958194 -9.954900 -9.931629 -9.922072 -9.912763 -9.909354 -9.907105 -9.904345 -9.904199 -9.902926 -9.901941 -9.901730 -9.900924 -9.898804 -9.896525 -9.896212 -9.887274 -9.881814 -9.878858 -0.963168 -0.927671 -0.826315 -0.775343 -0.770997 -0.722931 -0.705426 -0.685849 -0.670856 -0.662370 -0.654822 -0.632287 -0.601797 -0.588087 -0.557698 -0.543127 -0.541131 -0.538001 -0.517237 -0.513735 -0.481754 -0.457508 -0.444108 -0.434868 -0.425860 -0.420846 -0.412432 -0.403887 -0.399067 -0.395561 -0.379174 -0.372050 -0.370568 -0.369657 -0.366547 -0.360932 -0.355529 -0.342575 -0.337138 -0.330942 -0.327835 -0.326109 -0.320607 -0.318382 -0.307743 -0.304692 -0.302307 -0.298613 -0.291506 -0.286556 -0.286066 -0.279843 -0.268371 -0.228720 -0.223143 -0.215294 -0.208736 -0.189326 -0.168893 -0.035499 -0.033806 -0.032885 -0.020422 0.036274 0.046259 0.066818 0.080244 0.085392 0.089441 0.091414 0.098241 0.103505 0.111085 0.113010 0.122488 0.130362 0.131432 0.135319 0.138664 0.142887 0.145088 0.147131 0.151390 0.157571 0.160245 0.164416 0.168577 0.174311 0.178429 0.182207 0.188463 0.190713 0.191375 0.194683 0.198628 0.204199 0.209297 0.223152 0.227910 0.234857 0.236428 0.237515 0.241893 0.253621 0.257396 0.260953 0.265403 0.268901 0.269458 0.285584 0.289137 0.291138 0.301902 0.306351 0.311775 0.318323 0.320400 0.323802 0.331710 0.341064 0.344895 0.349976 0.353827 0.358010 0.363445 0.366827 0.373007 0.374422 0.382934 0.388850 0.394173 0.397326 0.402165 0.403010 0.406135 0.408218 0.416356 0.420918 0.426490 0.432522 0.434408 0.441690 0.445955 0.455683 0.460819 0.468260 0.476250 0.478752 0.494355 0.501762 0.506278 0.514309 0.521266 0.530020 0.544291 0.564581 0.578390 0.587981 0.610845 0.614552 0.628688 0.634492 0.644478 0.644517 0.660766 0.668047 0.670463 0.696634 0.715975 0.730920 0.741751 0.747967 0.768534 0.775259 0.788681 0.790911 0.835531 0.862613 0.867684 0.868657 0.884955 0.896814 0.908971 0.913992 0.919440 0.926950 0.941377 0.965351 0.980878 0.988671 0.993331 1.008743 1.018819 1.027703 1.031657 1.037725 1.051318 1.053909 1.067607 1.071236 1.081407 1.093811 1.108274 1.112742 1.116264 1.133476 1.142931 1.156263 1.171482 1.187750 1.211506 1.224817 1.233031 1.272289 1.294491 1.317105 1.320938 1.336123 1.350658 1.418352 1.436020 1.485940 1.496971 1.589377 1.719459 1.733549 22.319722 22.333219 22.511750 22.545291 22.555681 22.556643 22.576161 22.594483 22.630852 22.636225 22.654367 22.667414 22.676754 22.677331 22.679024 22.695521 22.723490 22.779262 22.806796 31.529260 41.509018 41.524510 29.117048 29.118340 22.048594 15.955774 15.959042 15.959429 15.959032 15.955740 15.955161 15.955248 15.956036 15.955902 15.956339 15.954955 15.955107 15.957024 15.953437 15.954805 15.957424 15.953982 15.956159 15.956245 2.576076 2.497022 1.734321 1.474346 1.561785 1.435582 1.595542 1.518414 1.602555 1.717834 1.607948 1.451064 1.523136 1.606433 1.556216 1.426155 1.443082 1.349101 1.414008 1.517074 1.510548 1.010594 1.457673 1.213887 1.206425 1.172006 1.325513 1.382169 1.383410 1.301021 1.339185 1.096318 1.198835 1.216794 1.189512 1.225560 1.167161 1.330853 1.196086 1.377798 1.320864 1.495219 1.543929 1.181517 1.321868 1.166041 1.372283 1.281534 1.636447 1.274664 1.566655 1.448414 1.887822 1.983852 1.131653 1.211710 1.490591 1.599991 1.739575 1.365962 1.436596 1.444942 1.580564 1.472333 1.612853 1.154111 1.126937 1.289243 1.263226 1.343919 1.532313 1.314874 1.270214 1.406636 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5PZ 6PX 6PY 6PZ 9 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 10 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 11 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 12 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 13 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 14 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 15 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 20 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 21 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 22 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 H 1S 2S 47 H 1S 2S 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 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S|47 H 1S|2S 1.13238 0.85944 0.94799 0.91345 1.13610 1.19891 1.09529 0.39319 0.45480 0.31076 1.13231 0.85944 0.94769 0.90106 1.01537 1.14908 1.28852 0.27370 0.36544 0.50936 1.15933 0.83101 0.82756 0.77582 0.91282 1.20923 0.92697 0.11152 0.44222 0.12601 1.17440 0.81408 0.73207 0.55925 0.81103 0.87549 0.88855 0.01748 0.09023 0.13348 1.17447 0.81386 0.73900 0.60510 0.78655 0.82470 0.92275 0.06074 0.06325 0.20463 1.17434 0.81425 0.73092 0.61991 0.81738 0.92069 0.88666 0.04101 0.19886 0.14817 1.17432 0.81416 0.72595 0.62296 0.85156 0.91260 0.88627 0.06128 0.19768 0.15246 1.17441 0.81394 0.75428 0.43079 0.90225 0.89681 0.78114 -0.17950 -0.11619 0.17581 1.17425 0.81427 0.72415 0.69067 0.92358 0.86390 0.91804 0.21505 0.13600 0.24102 1.17426 0.81418 0.72055 0.69404 0.86525 0.91548 0.89420 0.09124 0.20898 0.17300 1.17429 0.81404 0.73834 0.56815 0.91997 0.90940 0.81479 0.21059 0.15161 0.28339 1.17435 0.81399 0.74855 0.57370 0.94921 0.90087 0.77364 0.21432 0.02800 0.23713 1.17443 0.81396 0.75759 0.39648 0.83530 0.90646 0.82845 0.00828 -0.21687 -0.00828 1.17445 0.81385 0.76885 0.36506 0.75518 0.95568 0.81885 0.01087 -0.01768 0.18566 1.17437 0.81399 0.75458 0.39240 0.90762 0.89182 0.79079 -0.12035 -0.12991 0.19034 1.17440 0.81401 0.75123 0.54609 0.90749 0.92858 0.77288 0.06434 0.18100 0.25808 1.17440 0.81405 0.75187 0.55125 0.84846 0.91047 0.85131 0.20296 0.07681 0.23068 1.17440 0.81405 0.75165 0.55070 0.84349 0.92794 0.83919 0.14110 0.22175 0.14834 1.17419 0.81432 0.72372 0.72245 0.93196 0.86990 0.93005 0.21664 0.16220 0.23918 1.17442 0.81415 0.75574 0.51941 0.83590 0.93209 0.83389 0.10263 0.15568 0.10387 1.17442 0.81415 0.75564 0.51964 0.84439 0.91309 0.84452 0.16700 0.00184 0.19380 1.17442 0.81418 0.75454 0.53318 0.84959 0.91112 0.84244 0.18103 0.02564 0.15739 0.51677 0.27546 0.51490 0.26545 0.50418 0.25260 0.51567 0.27863 0.51444 0.30312 0.51307 0.28653 0.51213 0.25722 0.51178 0.27624 0.50971 0.28220 0.50858 0.26238 0.51280 0.28569 0.51292 0.28455 0.50977 0.22688 0.51022 0.20019 0.48831 0.17904 0.51687 0.25531 0.51638 0.25276 0.51650 0.25346 0.51168 0.27591 0.50675 0.25598 0.50666 0.25439 0.51631 0.26049 0.51636 0.26078 0.51602 0.25694 0.48491 0.16098 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 O O 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 H H -0.442302 -0.441966 -0.322485 -0.096062 -0.195072 -0.352179 -0.399236 0.366231 -0.700930 -0.551176 -0.584571 -0.413759 0.504196 0.169212 0.334341 -0.398092 -0.412255 -0.412599 -0.784608 -0.227776 -0.228482 -0.243523 0.207772 0.219650 0.243216 0.205702 0.182441 0.200395 0.230643 0.211982 0.208082 0.229043 0.201508 0.202523 0.263355 0.289587 0.332643 0.227813 0.230857 0.230046 0.212410 0.237264 0.238952 0.223194 0.222862 0.227036 0.354115 0.00000 -3.39070091e-01 3.95539002e-01 -2.88995108e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.8618 1.0054 -0.7346 1.5143 -131.2127 -130.5120 -129.9155 2.9675 -4.6187 1.3849 -0.6659 0.0347 0.6312 2.9675 -4.6187 1.3849 63.5671 -71.4982 -20.4850 -58.1486 19.8822 44.9249 -4.7739 6.3902 -12.0661 -7.4963 -13148.3111 -3118.5681 -623.0339 466.3795 223.0280 -9.0410 183.6588 513.3514 174.7716 -2796.8141 -2246.4316 -596.3642 22.2567 109.7494 50.8221 0 -942.9497017 6.886E-9 1.569E-5 -0.4951148,0.0258125,0.4693023,2.2062561,-3.4339036,1.0296411 C01 [X(C19H25N1O2)] -0.3390701 0.395539 -0.2889951 @ 0.000033365 0.000001167 -0.000021343 0.000014399 -0.000015561 -0.000014347 -0.000007646 0.000019046 -0.000031525 -0.000031353 -0.000016869 0.000022584 -0.000008025 -0.000052531 -0.000015214 0.000047684 0.000004025 0.000023714 -0.000058575 -0.000004497 -0.000003341 -0.000022487 0.000010655 0.000004067 -0.000006098 0.000010123 0.000003922 0.000027040 -0.000003524 0.000020448 0.000039717 -0.000008618 0.000017462 0.000001249 0.000031239 0.000005408 0.000004361 0.000008710 0.000002188 -0.000010940 0.000048046 0.000019377 -0.000056635 -0.000033353 -0.000008744 0.000025562 -0.000015734 -0.000012012 -0.000007386 -0.000016073 -0.000001979 0.000025380 0.000011343 -0.000012014 -0.000004187 0.000008471 0.000018454 0.000008965 -0.000004157 -0.000000714 -0.000018986 -0.000017424 0.000003981 -0.000002080 0.000010802 0.000020492 -0.000001269 -0.000003677 -0.000007032 0.000003597 0.000014107 -0.000001469 0.000006693 -0.000008213 -0.000020571 -0.000004375 -0.000007124 -0.000006166 0.000001458 0.000002920 -0.000007762 0.000002362 0.000000549 -0.000002801 0.000015648 -0.000001728 -0.000001339 -0.000001631 -0.000002059 -0.000006072 -0.000009327 0.000000007 -0.000012660 -0.000004247 -0.000006724 -0.000014640 -0.000002512 0.000000230 -0.000009782 -0.000003473 -0.000003214 -0.000002345 -0.000010750 -0.000002106 -0.000007125 -0.000004821 0.000003645 0.000004762 -0.000009110 0.000019342 0.000006263 0.000000504 0.000002518 0.000009478 -0.000001032 -0.000000781 0.000008252 -0.000002987 -0.000000368 0.000000668 0.000008473 0.000007033 0.000006681 0.000010800 0.000001379 0.000007756 0.000011061 0.000004815 0.000001381 -0.000002920 -0.000002004 0.000009749 0.000003785 0.000008230 -0.000003082 0.000002335 -0.000004818 -0.000001333 -0.000001587 0.000002750 0.000008326 274.2087999999998 AuxInfo=1/0/N:19,9,22,20,21,7,17,18,10,16,12,6,11,15,4,13,8,14,5,3,2,1/E:(4,5)(7,8)/CRV:3.3,4.3,5.3,7.3,8.3,10.3,11.3,13.3,14.3,16.3,17.3,18.3/rA:47OONCCCCC3CCC3C3C3C3C3C3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s1s4;s3;s6;s5;s4;s7;s8;s8;s10;s2s11;s14;s12s15;s13;s13;s15;s17;s18;s20s21;s4;s5;s3;s6;s6;s7;s7;s9;s9;s9;s10;s10;s11;s12;s1;s16;s17;s18;s19;s19;s19;s20;s21;s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2065 CBGUSER 000193996 EM64L-G09RevD.01 21-Oct-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 135 C1[X(C19H25NO2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 274.2087999999998 0 1 AuxInfo=1/0/N:19,9,22,20,21,7,17,18,10,16,12,6,11,15,4,13,8,14,5,3,2,1/E:(4,5)(7,8)/CRV:3.3,4.3,5.3,7.3,8.3,10.3,11.3,13.3,14.3,16.3,17.3,18.3/rA:47OONCCCCC3CCC3C3C3C3C3C3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s1s4;s3;s6;s5;s4;s7;s8;s8;s10;s2s11;s14;s12s15;s13;s13;s15;s17;s18;s20s21;s4;s5;s3;s6;s6;s7;s7;s9;s9;s9;s10;s10;s11;s12;s1;s16;s17;s18;s19;s19;s19;s20;s21;s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-18549.inp" -scrdir="/scratch/" chk=000193996-Freq.chk nprocshared=4 mem=3GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000193996 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 16 16 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 1 1 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 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 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. 3.00e-01 1.00e-07 1.00e-07 2 2 Search for a local minimum. |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000163 0.000043 0.117929 0.025287 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.663582e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1645.0933322490 270 628 270 81 81 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 47 47 47 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 274.2087999999998 AuxInfo=1/0/N:19,9,22,20,21,7,17,18,10,16,12,6,11,15,4,13,8,14,5,3,2,1/E:(4,5)(7,8)/CRV:3.3,4.3,5.3,7.3,8.3,10.3,11.3,13.3,14.3,16.3,17.3,18.3/rA:47OONCCCCC3CCC3C3C3C3C3C3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s1s4;s3;s6;s5;s4;s7;s8;s8;s10;s2s11;s14;s12s15;s13;s13;s15;s17;s18;s20s21;s4;s5;s3;s6;s6;s7;s7;s9;s9;s9;s10;s10;s11;s12;s1;s16;s17;s18;s19;s19;s19;s20;s21;s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.049266 0.000000 3.770007 6.889184 0.000000 2.507666 6.323879 1.486921 0.000000 1.484969 5.002858 2.475822 1.562812 0.000000 5.019858 8.122566 1.478348 2.526629 3.845644 0.000000 6.254279 8.790500 2.486938 3.862961 4.928685 1.541813 0.000000 2.468675 3.762456 3.160999 2.625434 1.536824 4.433412 5.288762 0.000000 2.798931 7.462882 2.540183 1.551278 2.568164 3.169129 4.585624 3.952176 0.000000 7.574410 10.169227 3.874110 5.093308 6.325715 2.570711 1.553823 6.689480 5.609825 0.000000 2.802899 2.468468 4.545959 3.891647 2.535111 5.850683 6.675022 1.420180 5.023064 8.090950 0.000000 3.752157 4.222977 3.092407 3.047364 2.602872 4.059481 4.670197 1.416101 4.575232 5.972841 2.436671 0.000000 8.809368 11.012889 5.043007 6.391628 7.476823 3.926945 2.556295 7.716279 6.980583 1.521826 9.070383 6.896292 0.000000 4.178981 1.412510 5.540727 5.057620 3.845158 6.734643 7.397554 2.458207 6.310924 8.762414 1.410972 2.811062 9.628748 0.000000 5.073428 2.405963 5.536363 5.321076 4.417172 6.525275 6.999814 2.881615 6.747033 8.255956 2.474707 2.477866 9.012264 1.420731 0.000000 4.858582 3.686060 4.439560 4.445613 3.888702 5.270221 5.676091 2.452312 5.963094 6.876998 2.801612 1.414214 7.639992 2.413204 1.413649 0.000000 9.496256 11.094076 5.795547 7.133317 8.105911 4.774891 3.406219 8.086688 7.932115 2.559024 9.376472 7.069887 1.419007 9.737144 8.936052 7.567766 0.000000 9.496935 11.922331 5.764674 7.145146 8.193616 4.751748 3.394110 8.581153 7.553345 2.556790 9.919773 7.896968 1.419193 10.560010 10.039984 8.711090 2.436942 0.000000 6.530013 2.814786 6.947744 6.802603 5.930105 7.839451 8.181345 4.395074 8.241413 9.350044 3.856266 3.876279 9.981436 2.548517 1.513601 2.569650 9.721252 11.050208 0.000000 10.711638 12.048154 7.015685 8.406385 9.287552 6.087779 4.637659 9.213003 9.215775 3.861303 10.448360 8.174552 2.464746 10.733089 9.880665 8.562131 1.413397 2.819776 10.555971 0.000000 10.711951 12.816544 6.989872 8.416184 9.364107 6.069369 4.628532 9.650757 8.890737 3.859688 10.939509 8.901105 2.464797 11.486430 10.891495 9.589880 2.819917 1.413163 11.794022 2.443297 0.000000 11.275263 12.878443 7.545270 8.985242 9.866250 6.644821 5.145324 9.941998 9.648511 4.374562 11.186787 9.029514 2.853246 11.569790 10.821479 9.525885 2.450313 2.450184 11.567931 1.414182 1.414332 0.000000 2.926964 6.275674 2.094132 1.110997 2.182868 2.690219 4.086789 2.749755 2.179217 5.137991 3.991531 2.885977 6.501167 4.988598 5.094181 4.161748 7.113712 7.424608 6.506599 8.445474 8.709384 9.167954 0.000000 2.032359 5.341083 2.625560 2.174535 1.109068 4.084797 4.961510 2.181340 2.897388 6.438283 2.973259 3.197009 7.466787 4.271996 4.906023 4.430834 8.164678 8.019176 6.391483 9.256833 9.128121 9.700685 3.075513 0.000000 3.967160 7.159557 1.030596 2.096342 2.710125 2.091897 2.691841 3.547028 2.797982 4.145976 4.819761 3.665124 5.144042 5.873562 5.980991 4.982254 5.997829 5.635019 7.396654 7.105573 6.801020 7.463060 2.974821 2.416704 0.000000 5.170208 7.998941 2.101700 2.726967 4.074528 1.109384 2.178702 4.438557 3.500309 2.827654 5.837017 3.885992 4.239712 6.602846 6.272968 4.978775 4.868332 5.286717 7.517855 6.252108 6.583765 6.999553 2.416242 4.572719 2.980417 0.000000 5.306873 8.949315 2.181615 2.887530 4.342867 1.118588 2.174891 5.200252 2.945310 2.754722 6.589780 5.021024 4.176067 7.590027 7.497370 6.290537 5.238280 4.797823 8.852768 6.536319 6.187799 6.944411 3.128335 4.529932 2.552777 1.784416 0.000000 6.394106 9.057165 2.726373 4.163648 5.077791 2.181139 1.109617 5.576342 4.734220 2.182906 6.910001 5.134729 2.776699 7.706283 7.425372 6.184876 3.788743 3.153388 8.639712 4.808467 4.324008 5.033890 4.644782 4.866308 2.491996 3.096071 2.553677 0.000000 6.343440 8.212067 2.720276 4.098226 4.922741 2.174342 1.106203 4.958762 5.121418 2.194621 6.285282 4.116949 2.806041 6.827480 6.274815 4.928918 3.201703 3.806554 7.350557 4.372354 4.833773 5.072265 4.226746 4.990163 2.999505 2.508456 3.090442 1.775280 0.000000 3.871553 8.398488 2.767265 2.195067 3.529352 2.840338 4.266259 4.792270 1.105238 5.030199 5.965924 5.177572 6.457728 7.188006 7.477455 6.553765 7.485352 7.011253 8.941781 8.794354 8.393209 9.200383 2.547373 3.858359 3.101656 3.137220 2.284782 4.487020 4.975114 0.000000 2.971248 7.714637 2.860722 2.198087 2.791456 3.641648 4.854659 4.300791 1.106709 5.959162 5.273885 5.062078 7.215225 6.626134 7.173356 6.461131 8.249617 7.605293 8.685714 9.452755 8.894237 9.745415 3.102565 2.689477 2.703535 4.229495 3.358608 4.746028 5.431459 1.795843 0.000000 2.519631 7.380197 3.493451 2.211760 2.857902 4.131185 5.604388 4.185306 1.102627 6.578058 5.043805 4.971901 7.990746 6.343422 6.913148 6.284686 8.903438 8.609254 8.387214 10.215841 9.959561 10.697526 2.517317 3.358882 3.820054 4.267379 3.906992 5.818235 6.087643 1.791436 1.777625 0.000000 7.707459 10.786952 4.146328 5.232222 6.581842 2.779293 2.178872 7.168138 5.435822 1.108249 8.584562 6.622570 2.167086 9.384520 9.001936 7.650965 3.414556 2.707651 10.177167 4.597925 4.098888 4.875216 5.342108 6.665582 4.341180 3.147267 2.496589 2.532095 3.098441 4.698543 5.732077 6.390150 0.000000 7.691635 10.104595 4.161593 5.205658 6.485897 2.793789 2.177750 6.718571 5.804148 1.108027 8.109689 5.884334 2.168448 8.693980 8.092024 6.688518 2.708410 3.417690 9.118251 4.101083 4.601564 4.878488 5.010084 6.776718 4.666779 2.595385 3.065808 3.090654 2.534515 5.195326 6.336737 6.666377 1.779564 0.000000 2.442357 2.729022 5.030066 4.196237 2.700295 6.404869 7.323978 2.174387 5.045488 8.765525 1.098111 3.429028 9.791660 2.185269 3.468181 3.899712 10.206312 10.556977 4.733212 11.289339 11.607849 11.951560 4.435424 2.978480 5.182310 6.479361 7.014042 7.463739 7.051001 6.081212 5.159102 4.920757 9.158807 8.847057 0.000000 4.133319 5.314782 2.356598 2.694733 2.812718 3.083907 3.627996 2.166340 4.234011 4.887666 3.424237 1.092949 5.838635 3.903081 3.465972 2.187980 6.053428 6.872247 4.756050 7.211132 7.912509 8.066145 2.510424 3.352424 3.058298 2.894993 4.110454 4.191848 3.089489 4.638715 4.770797 4.807190 5.557464 4.795722 4.326463 0.000000 0.992509 4.852453 4.175232 2.804039 2.021918 5.290389 6.597583 2.571863 3.175643 7.836031 2.788541 3.730559 9.125493 4.015981 4.865979 4.708365 9.736673 9.925046 6.262693 10.996092 11.163383 11.659393 2.836426 2.857732 4.576234 5.232079 5.608476 6.887341 6.638870 4.138738 3.620570 2.689017 7.999343 7.813932 2.535282 4.180345 0.000000 5.833739 4.563184 4.854127 5.080754 4.772469 5.428513 5.620882 3.441233 6.620917 6.661741 3.898501 2.172990 7.293615 3.407773 2.161550 1.096907 7.033127 8.439873 2.769309 7.965590 9.234160 9.024005 4.703006 5.300440 5.446253 5.038674 6.501942 6.223246 4.749045 7.075429 7.171058 7.017663 7.536266 6.380845 4.996591 2.514728 5.663694 0.000000 9.221606 10.558388 5.658581 6.892587 7.845744 4.657393 3.481768 7.681051 7.812500 2.760784 8.942958 6.556230 2.177876 9.207467 8.316260 6.938983 1.097503 3.432616 9.030008 2.177224 3.917403 3.442482 6.719964 8.036665 6.029379 4.517048 5.250909 4.124770 3.080386 7.402751 8.255713 8.713183 3.739211 2.503092 9.833656 5.559706 9.360313 6.316429 0.000000 9.223828 12.060949 5.603090 6.915207 8.007438 4.615669 3.461471 8.584767 7.113132 2.757195 9.933486 8.065425 2.178199 10.702963 10.319789 9.017849 3.432729 1.097620 11.434052 3.917371 2.176963 3.442412 7.295109 7.772541 5.371046 5.289241 4.438631 3.027306 4.128849 6.524103 7.069039 8.170200 2.504225 3.742205 10.473548 7.055257 9.707200 8.870561 4.340933 0.000000 7.188795 3.905428 7.084667 7.106202 6.433157 7.804382 8.001677 4.910336 8.603262 9.049720 4.643212 4.090434 9.581091 3.464363 2.169312 2.678206 9.180351 10.701330 1.103396 9.955765 11.376753 11.035301 6.736461 6.915612 7.586427 7.414632 8.861412 8.529529 7.092688 9.197920 9.103392 8.831098 9.946105 8.751960 5.611568 4.780838 6.916933 2.416915 8.431262 11.179210 0.000000 6.790978 2.788970 7.610965 7.285166 6.398039 8.494877 8.968888 4.897894 8.652364 10.105350 4.203078 4.523569 10.822208 2.865301 2.172907 3.303691 10.575317 11.934259 1.105706 11.460990 12.728586 12.511869 6.892573 6.963062 8.123534 8.089030 9.463520 9.481999 8.188138 9.367781 9.157525 8.665816 10.895174 9.802167 4.961447 5.440286 6.387949 3.548180 9.834008 12.297209 1.793763 0.000000 6.988265 2.782131 7.495931 7.412995 6.401469 8.477663 8.730872 4.898679 8.835023 9.964016 4.203955 4.519888 10.506457 2.862651 2.172625 3.300727 10.241459 11.493115 1.105653 10.986179 12.164088 11.929719 7.252499 6.702119 7.816791 8.269541 9.497152 9.076651 7.876931 9.593600 9.164589 9.011286 10.802998 9.825064 4.961322 5.419308 6.830420 3.541299 9.619012 11.874882 1.793698 1.768569 0.000000 11.337247 12.271863 7.726544 9.085292 9.897158 6.851720 5.446221 9.670167 10.000603 4.735638 10.845190 8.533341 3.454105 10.995332 10.032816 8.750484 2.177920 3.915867 10.561337 1.096111 3.438131 2.179582 9.047658 9.913525 7.877235 6.903637 7.391469 5.703456 5.019091 9.619472 10.289008 10.970576 5.546789 4.802465 11.744567 7.623316 11.569903 8.042743 2.503782 5.013457 9.868792 11.458712 10.979324 0.000000 11.338331 13.586662 7.685334 9.101942 10.025198 6.823077 5.432837 10.402479 9.463269 4.733632 11.675441 9.741430 3.454404 12.275359 11.748086 10.476866 3.916044 2.178065 12.679602 3.437966 1.096147 2.179470 9.482755 9.699468 7.384117 7.432297 6.837545 4.966330 5.722947 8.959863 9.361980 10.543600 4.801058 5.551061 12.284989 8.774471 11.851989 10.173754 5.013527 2.503899 12.301352 13.632898 13.002391 4.346045 0.000000 12.268074 13.687282 8.565694 10.019733 10.844796 7.715189 6.202221 10.876216 10.699218 5.470357 12.081814 9.946417 3.949073 12.410743 11.629546 10.369671 3.444488 3.444221 12.300859 2.182363 2.182301 1.095829 10.219624 10.638894 8.442187 8.077128 8.023732 6.037263 6.076437 10.270133 10.760943 11.756098 5.951230 5.954804 12.854544 9.016924 12.669653 9.830003 4.348398 4.348103 11.732566 13.268515 12.607585 2.514170 2.513609 0.000000 4.738098 0.989446 7.051846 6.360977 4.935555 8.362940 9.120552 3.930541 7.342417 10.541398 2.518368 4.680698 11.440442 1.987318 3.246428 4.397189 11.628522 12.287024 3.801226 12.610571 13.221502 13.376366 6.410861 5.198023 7.247723 8.310934 9.105672 9.317989 8.635942 8.341482 7.507786 7.176010 11.081135 10.532705 2.353759 5.756485 4.594914 5.359332 11.147107 12.342657 4.887088 3.737256 3.721498 12.900682 13.946841 14.203876 0.000000 C19H25NO2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 274.2087999999998 AuxInfo=1/0/N:19,9,22,20,21,7,17,18,10,16,12,6,11,15,4,13,8,14,5,3,2,1/E:(4,5)(7,8)/CRV:3.3,4.3,5.3,7.3,8.3,10.3,11.3,13.3,14.3,16.3,17.3,18.3/rA:47OONCCCCC3CCC3C3C3C3C3C3C3C3CC3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s3;s1s4;s3;s6;s5;s4;s7;s8;s8;s10;s2s11;s14;s12s15;s13;s13;s15;s17;s18;s20s21;s4;s5;s3;s6;s6;s7;s7;s9;s9;s9;s10;s10;s11;s12;s1;s16;s17;s18;s19;s19;s19;s20;s21;s22;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4169378 0.0957203 0.0807216 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= 16653 NPrTT= 83973 LenC2= 13330 LenP2D= 40800. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 270 RedAO= T EigKep= 5.31D-04 NBF= 270 NBsUse= 270 1.00D-06 EigRej= -1.00D+00 NBFU= 270 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= 254 254 254 254 254 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 0 1 -942.532943054040 -942.667150859302 -0.134207805261 -942.927955846181 -0.260804986880 -942.940595243961 -0.012639397780 -942.948901180561 -0.008305936600 -942.949619223875 -0.000718043314 -942.949644789049 -0.000025565175 -942.949650130223 -0.000005341174 -942.949606172486 0.000043957737 -942.949610466719 -0.000004294233 -942.949609337922 0.000001128796 -942.949610733543 -0.000001395621 -942.949610745209 -0.000000011666 -942.949610745498 -0.000000000288 -942.949610745548 -0.000000000050 -942.949610745576 -0.000000000028 -942.949610746 16 9.380294158106e+02 -5.485138494416e+03 1.959066135611e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 241036 IEndB= 241036 NGot= 402653184 MDV= 402501959 LenX= 402501959 LenY= 402428618 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 47. Will process 48 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 402652440 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 660000000 NMat= 144 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 144 NMatS0= 144 NMatT0= 0 NMatD0= 144 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 1.53D-14 1.00D-09 XBig12= 4.01D+02 8.50D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 1.53D-14 1.00D-09 XBig12= 1.15D+02 2.71D+00. 141 vectors produced by pass 2 Test12= 1.53D-14 1.00D-09 XBig12= 3.60D-01 4.88D-02. 141 vectors produced by pass 3 Test12= 1.53D-14 1.00D-09 XBig12= 7.59D-05 7.00D-04. 76 vectors produced by pass 4 Test12= 1.53D-14 1.00D-09 XBig12= 1.29D-08 9.05D-06. 4 vectors produced by pass 5 Test12= 1.53D-14 1.00D-09 XBig12= 9.20D-13 7.15D-08. 3 vectors produced by pass 6 Test12= 1.53D-14 1.00D-09 XBig12= 1.12D-15 2.41D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 647 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 219.39 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 264.102 1.539 243.339 -10.038 14.859 150.717 417.261 5.938 437.014 -20.174 48.501 279.415 (Enter /mnt/data/applications/G09/g09/l716.exe) PT5394.200S 2017-10-21T18:56:49.000+02:00 -18.78703 -18.75948 -13.98242 -9.95819 -9.95490 -9.93163 -9.92207 -9.91275 -9.90935 -9.90711 -9.90433 -9.90419 -9.90291 -9.90193 -9.90171 -9.90091 -9.89880 -9.89653 -9.89621 -9.88727 -9.88181 -9.87886 -0.96317 -0.92768 -0.82631 -0.77533 -0.77100 -0.72293 -0.70542 -0.68585 -0.67085 -0.66237 -0.65482 -0.63229 -0.60180 -0.58809 -0.55770 -0.54312 -0.54113 -0.53800 -0.51723 -0.51373 -0.48175 -0.45750 -0.44411 -0.43487 -0.42586 -0.42084 -0.41243 -0.40388 -0.39907 -0.39556 -0.37917 -0.37205 -0.37056 -0.36965 -0.36654 -0.36093 -0.35553 -0.34257 -0.33713 -0.33094 -0.32783 -0.32611 -0.32061 -0.31838 -0.30774 -0.30468 -0.30231 -0.29861 -0.29150 -0.28655 -0.28606 -0.27984 -0.26837 -0.22873 -0.22314 -0.21529 -0.20874 -0.18932 -0.16889 -0.03549 -0.03380 -0.03288 -0.02042 0.03628 0.04626 0.06682 0.08025 0.08539 0.08946 0.09143 0.09824 0.10351 0.11109 0.11301 0.12248 0.13036 0.13144 0.13532 0.13868 0.14289 0.14509 0.14713 0.15139 0.15757 0.16025 0.16442 0.16858 0.17431 0.17843 0.18222 0.18847 0.19071 0.19138 0.19469 0.19863 0.20420 0.20930 0.22315 0.22792 0.23487 0.23644 0.23752 0.24190 0.25363 0.25740 0.26096 0.26543 0.26891 0.26947 0.28567 0.28916 0.29118 0.30191 0.30637 0.31177 0.31833 0.32042 0.32380 0.33171 0.34108 0.34491 0.34998 0.35383 0.35802 0.36345 0.36683 0.37298 0.37442 0.38293 0.38889 0.39420 0.39736 0.40218 0.40299 0.40629 0.40821 0.41635 0.42092 0.42648 0.43250 0.43440 0.44169 0.44594 0.45566 0.46082 0.46824 0.47624 0.47873 0.49435 0.50176 0.50632 0.51425 0.52127 0.53002 0.54433 0.56458 0.57842 0.58799 0.61085 0.61452 0.62868 0.63448 0.64447 0.64454 0.66072 0.66806 0.67043 0.69662 0.71594 0.73090 0.74173 0.74795 0.76854 0.77527 0.78866 0.79092 0.83554 0.86264 0.86768 0.86866 0.88496 0.89683 0.90897 0.91400 0.91944 0.92696 0.94137 0.96536 0.98090 0.98867 0.99332 1.00874 1.01882 1.02770 1.03165 1.03772 1.05132 1.05391 1.06761 1.07125 1.08142 1.09380 1.10823 1.11279 1.11628 1.13348 1.14293 1.15628 1.17149 1.18773 1.21151 1.22483 1.23304 1.27230 1.29451 1.31712 1.32093 1.33613 1.35066 1.41835 1.43600 1.48592 1.49695 1.58939 1.71948 1.73356 22.31973 22.33323 22.51176 22.54530 22.55569 22.55665 22.57616 22.59448 22.63085 22.63623 22.65437 22.66742 22.67676 22.67733 22.67903 22.69552 22.72349 22.77927 22.80680 31.52927 41.50901 41.52451 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 O O 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 H H -0.442325 -0.441973 -0.322435 -0.096009 -0.195040 -0.352141 -0.399348 0.366321 -0.700930 -0.551165 -0.584488 -0.413833 0.504560 0.169203 0.334192 -0.398022 -0.412317 -0.412825 -0.784509 -0.227779 -0.228456 -0.243590 0.207750 0.219638 0.243202 0.205684 0.182422 0.200383 0.230658 0.211988 0.208061 0.229032 0.201481 0.202520 0.263308 0.289602 0.332643 0.227801 0.230851 0.230072 0.212399 0.237243 0.238937 0.223200 0.222864 0.227062 0.354112 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 O O N C C C C C C C C C C C C C C C C C C C -0.109682 -0.087861 -0.079233 0.111740 0.024598 0.035964 0.031693 0.366321 -0.051850 -0.147165 -0.321180 -0.124231 0.504560 0.169203 0.334192 -0.170220 -0.181466 -0.182753 -0.095930 -0.004579 -0.005592 -0.016528 0.00000 -3.19485135e-01 4.31751964e-01 -2.57864996e-01 2.64102276e+02 1.53879825e+00 2.43338944e+02 -1.00383113e+01 1.48594338e+01 1.50716737e+02 -12.0253 -6.7234 -5.9449 -4.2625 -0.0009 -0.0006 -0.0004 10.0415 15.9053 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -6.8345 9.5218 15.7959 28.5955 38.9340 56.8059 89.2517 92.6495 96.1581 104.3931 128.5744 151.2176 165.8237 181.7877 201.9470 227.0851 257.3867 276.3465 299.2261 309.6841 332.5756 334.1030 361.5792 365.2477 378.0492 402.9501 407.4982 422.3106 449.3754 495.5973 513.3460 532.2482 541.3023 567.8963 583.1346 617.8303 628.2548 646.6074 705.2891 711.9968 741.8970 757.6915 759.2013 760.4520 809.9915 831.2141 850.3340 854.8467 862.8449 878.0921 899.5256 916.3912 946.9314 955.3808 966.7441 975.2301 989.9476 993.0593 999.3348 1021.2554 1027.6186 1038.2353 1046.4332 1051.0635 1062.1395 1082.1760 1088.3379 1109.7946 1120.7272 1140.3244 1152.8610 1159.6768 1169.8800 1171.7091 1186.3856 1199.8832 1216.5090 1224.0058 1233.9213 1261.4756 1264.4668 1268.4890 1279.7011 1293.8792 1313.6091 1326.3931 1326.8896 1336.8315 1351.6157 1371.0710 1381.6951 1382.5108 1384.4327 1397.1040 1407.7987 1440.1802 1448.7409 1457.0932 1462.5971 1468.4001 1472.3823 1473.6016 1480.9499 1483.7196 1494.9050 1509.6602 1590.6957 1593.1671 1614.6186 1623.9434 2866.2618 2963.0450 2971.2915 2977.8713 2980.6954 2981.6825 2988.4582 2989.8848 3022.6725 3054.6403 3059.7536 3073.6992 3089.7688 3095.6691 3112.7108 3114.3596 3114.6268 3123.0887 3130.6314 3142.3390 3161.3859 3165.8263 3421.6833 3534.3578 3578.3131 3.7891 4.6013 4.4569 4.1311 4.3385 3.1472 3.4342 1.9010 2.8894 1.1123 4.0342 2.2536 3.6274 2.2043 2.0402 4.1092 4.0416 3.1173 3.7170 2.7828 1.7958 2.0400 2.2120 3.0961 1.2853 2.8181 2.4044 3.9303 2.8398 3.4243 4.3034 4.4856 3.2931 4.8349 4.0315 6.3561 4.8938 1.5388 1.7369 3.4432 4.3966 1.8044 1.4642 1.9579 3.8027 1.5014 1.3259 1.4921 1.4624 1.5051 2.2520 1.4508 3.2888 1.6379 1.8031 1.3876 6.2902 1.3155 1.7180 2.9822 2.2468 1.7655 1.5237 3.0365 2.8611 1.8442 2.0711 1.5045 2.6395 2.0888 1.6312 1.2158 1.4050 1.0709 1.1152 1.4288 2.3623 2.2424 1.3877 1.3236 2.6083 1.5148 1.1028 1.3814 1.2476 1.3790 1.2904 1.4327 1.2102 1.5985 2.1552 7.3102 1.5250 1.4819 2.6975 2.1733 1.1661 1.0454 1.0578 1.0921 1.1044 1.0930 1.1456 2.0980 1.0942 3.0229 6.1390 6.0364 6.1867 7.0521 1.0696 1.0827 1.0624 1.0660 1.0386 1.0364 1.0832 1.0801 1.0994 1.1029 1.0969 1.0993 1.1003 1.0980 1.0872 1.0868 1.0907 1.0898 1.0906 1.0958 1.1015 1.0943 1.0737 1.0657 1.0658 0.0001 0.0002 0.0007 0.0020 0.0039 0.0060 0.0161 0.0096 0.0157 0.0071 0.0393 0.0304 0.0588 0.0429 0.0490 0.1249 0.1578 0.1403 0.1961 0.1572 0.1170 0.1342 0.1704 0.2434 0.1082 0.2696 0.2352 0.4130 0.3379 0.4955 0.6682 0.7487 0.5685 0.9187 0.8077 1.4295 1.1381 0.3791 0.5090 1.0284 1.4258 0.6103 0.4972 0.6671 1.4700 0.6112 0.5648 0.6424 0.6415 0.6838 1.0736 0.7178 1.7375 0.8808 0.9929 0.7775 3.6320 0.7644 1.0109 1.8326 1.3979 1.1213 0.9830 1.9764 1.9017 1.2725 1.4454 1.0918 1.9533 1.6003 1.2774 0.9633 1.1330 0.8662 0.9248 1.2120 2.0598 1.9794 1.2448 1.2410 2.4571 1.4361 1.0641 1.3625 1.2685 1.4294 1.3386 1.5085 1.3026 1.7704 2.4241 8.2322 1.7221 1.7043 3.1498 2.6558 1.4420 1.3077 1.3333 1.3874 1.4106 1.3983 1.4803 2.7212 1.4406 4.0591 9.1521 9.0272 9.5028 10.9575 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108.6572 7.5697 2.0033 30.2376 35.7638 29.8022 19.2260 79.0541 2.7041 53.1505 18.2084 39.4938 18.0880 34.9850 9.4846 9.7498 10.0206 15.7709 10.7743 46.4688 24.6024 6.3744 0.4426 6.2003 29.7253 8 8 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 1 1 -0.02 0.00 0.10 0.03 0.02 -0.07 -0.01 -0.02 0.02 0.00 -0.01 0.04 -0.01 -0.02 0.05 0.01 -0.05 -0.01 -0.01 -0.01 0.00 0.00 -0.01 0.02 -0.01 -0.01 0.05 0.02 -0.07 -0.05 0.01 0.00 -0.01 0.00 -0.01 0.02 0.00 -0.02 -0.02 0.02 0.01 -0.04 0.02 0.01 -0.05 0.01 0.00 -0.02 0.08 -0.08 0.16 -0.11 0.09 -0.18 0.04 0.02 -0.08 0.06 -0.03 0.19 -0.13 0.13 -0.15 -0.05 0.07 0.03 0.01 0.00 0.04 -0.03 -0.05 0.05 -0.04 0.01 0.01 0.04 -0.10 0.01 0.02 -0.05 -0.07 -0.05 0.06 -0.02 -0.01 -0.01 0.08 -0.01 -0.01 0.06 0.00 -0.02 0.05 -0.01 -0.01 0.05 0.03 -0.07 -0.14 0.06 -0.14 -0.02 0.01 0.00 -0.01 0.00 -0.02 0.04 -0.01 0.04 0.09 0.02 0.00 -0.02 0.17 -0.17 0.28 -0.17 0.13 -0.32 0.03 0.02 -0.08 0.02 0.04 -0.10 0.06 0.01 -0.09 0.13 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