Gaussian 09 GINC-KIMIK2027 CBGUSER 000087006 EM64L-G09RevD.01 15-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 256.21339999999987 0 1 AuxInfo=1/0/N:15,10,9,6,5,20,21,16,18,17,19,4,11,13,12,14,3,7,8,2,1/E:(6,7)(8,9,10,11)(13,14,15,16)(18,19)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,13.3,14.3,15.3,16.3,18.3,19.3/rA:47OCCCCCC3C3CCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2;s2;s6;s9;s7;s8;s7;s8;s10;s11;s12;s13;s14;s16s18;s17s19;s3;s3;s4;s4;s5;s5;s6;s6;s9;s9;s10;s10;s1;s11;s12;s13;s14;s15;s15;s15;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-12451.inp" -scrdir="/scratch/" chk=000087006.chk nprocshared=4 mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000087006 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 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 15 15 15 16 16 17 17 18 18 19 19 20 21 2 34 3 7 8 4 22 23 5 24 25 6 26 27 9 28 29 11 13 12 14 10 30 31 15 32 33 16 35 17 36 18 37 19 38 39 40 41 20 42 21 43 20 44 21 45 46 47 1.4403 0.9728 1.5597 1.5357 1.5375 1.5402 1.0976 1.099 1.5319 1.0961 1.0954 1.5325 1.0971 1.0971 1.5311 1.0969 1.097 1.3734 1.3733 1.3724 1.3725 1.5311 1.0968 1.0971 1.5209 1.0965 1.0966 1.3949 1.0852 1.395 1.0853 1.3949 1.0843 1.3949 1.0824 1.0943 1.0945 1.0946 1.3947 1.0861 1.3948 1.0861 1.3949 1.0862 1.395 1.0862 1.0861 1.086 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 2 1 1 1 3 3 7 2 2 2 4 4 22 3 3 3 5 5 24 4 4 4 6 6 26 5 5 5 9 9 28 2 2 11 2 2 12 6 6 6 10 10 30 9 9 9 15 15 32 7 7 16 8 8 17 7 7 18 8 8 19 10 10 10 39 39 40 11 11 20 12 12 21 13 13 20 14 14 21 16 16 18 17 17 19 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 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 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 34 3 7 8 7 8 8 4 22 23 22 23 23 5 24 25 24 25 25 6 26 27 26 27 27 9 28 29 28 29 29 11 13 13 12 14 14 10 30 31 30 31 31 15 32 33 32 33 33 16 35 35 17 36 36 18 37 37 19 38 38 39 40 41 40 41 41 20 42 42 21 43 43 20 44 44 21 45 45 18 46 46 19 47 47 108.229 105.1584 110.1192 106.4686 110.5445 114.1938 110.1265 114.2584 110.9493 109.3568 108.0096 106.3811 107.5906 110.9968 110.0554 110.5028 109.2696 108.5776 107.3497 113.4911 109.41 109.0524 108.9878 108.9064 106.7743 113.3622 109.2539 108.9216 109.3259 108.9859 106.7798 118.4086 118.4082 123.1832 118.3511 118.3364 123.3124 113.2531 109.2274 109.1231 109.3082 108.9507 106.7732 113.6396 109.2713 109.317 108.8688 108.6977 106.8217 118.4122 122.4921 119.0953 118.3496 122.4623 119.1867 118.4052 123.6697 117.9248 118.3449 124.7874 116.8662 110.3634 110.8544 110.8666 108.188 108.1841 108.288 119.9958 120.0065 119.9977 119.9964 120.0026 120.0009 120.0001 120.0319 119.968 119.998 120.0546 119.9474 120.0036 120.0025 119.9939 119.9987 120.0022 119.9991 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 34 34 34 1 1 1 7 7 7 8 8 8 1 1 3 3 8 8 1 1 3 3 7 7 2 2 2 22 22 22 23 23 23 3 3 3 24 24 24 25 25 25 4 4 4 26 26 26 27 27 27 5 5 5 28 28 28 29 29 29 2 2 13 13 2 2 11 11 2 2 14 14 2 2 12 12 6 6 6 30 30 30 31 31 31 9 9 9 32 32 32 33 33 33 7 7 35 35 8 8 36 36 7 7 37 37 8 8 38 38 11 11 42 42 12 12 43 43 13 13 44 44 14 14 45 45 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 2 2 2 3 3 3 3 3 3 3 3 3 7 7 7 7 7 7 8 8 8 8 8 8 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 11 11 11 11 13 13 13 13 12 12 12 12 14 14 14 14 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 20 20 20 20 21 21 21 21 3 7 8 4 22 23 4 22 23 4 22 23 11 13 11 13 11 13 12 14 12 14 12 14 5 24 25 5 24 25 5 24 25 6 26 27 6 26 27 6 26 27 9 28 29 9 28 29 9 28 29 10 30 31 10 30 31 10 30 31 16 35 16 35 18 37 18 37 17 36 17 36 19 38 19 38 15 32 33 15 32 33 15 32 33 39 40 41 39 40 41 39 40 41 20 42 20 42 21 43 21 43 20 44 20 44 21 45 21 45 18 46 18 46 19 47 19 47 16 46 16 46 17 47 17 47 69.9428 -170.9493 -51.5807 58.4942 -179.1177 -60.5961 -60.329 62.0591 -179.4193 174.835 -62.7769 55.7447 177.1155 -2.8575 -67.1193 112.9077 59.9993 -119.9737 -59.3695 120.6546 -174.9481 5.076 59.9942 -119.9817 179.4343 -59.4735 58.9141 55.4559 176.5481 -65.0643 -59.8084 61.2838 179.6714 178.9025 -59.14 57.3097 57.349 179.3065 -64.2438 -59.444 62.5136 178.9633 -176.8852 60.9246 -55.3711 60.9227 -61.2676 -177.5633 -55.2109 -177.4012 66.3031 177.0727 -60.8536 55.5322 -60.7771 61.2966 177.6824 55.5946 177.6684 -65.9458 -179.9778 0.2348 -0.0062 -179.7936 179.9824 -0.216 0.0108 179.8124 -179.9799 0.4425 -0.0053 -179.5829 179.9842 0.4463 0.0096 -179.5284 -178.7393 59.4563 -57.1218 59.232 -62.5723 -179.1504 -57.1021 -178.9065 64.5154 -179.9473 -60.1005 60.2029 -57.9195 61.9272 -177.7693 58.0909 177.9377 -61.7589 -0.0018 -179.9409 179.793 -0.1461 0.0018 -179.9084 179.5935 -0.3167 -0.0074 179.9459 -179.8205 0.1328 -0.0104 -179.9035 179.5642 -0.3289 0.0048 -179.9731 179.9439 -0.034 -0.0029 179.9935 179.9073 -0.0963 -0.0001 179.9778 -179.9535 0.0244 0.0073 -179.9891 179.9005 -0.0959 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 269 282 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= 15931 NPrTT= 79920 LenC2= 13437 LenP2D= 41747. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 262 RedAO= T EigKep= 7.39D-04 NBF= 262 NBsUse= 262 1.00D-06 EigRej= -1.00D+00 NBFU= 262 Using GEDIIS/GDIIS optimizer. local minimum Step number 10 out of a maximum of 269 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00089 0.00222 0.00257 0.00286 0.00339 0.00353 0.00354 0.00489 0.00618 0.01064 0.01493 0.01610 0.02134 0.02156 0.02156 0.02157 0.02157 0.02158 0.02160 0.02171 0.02192 0.02218 0.02224 0.02295 0.02308 0.02329 0.02332 0.02442 0.03416 0.03444 0.03460 0.03466 0.03531 0.03548 0.04720 0.04770 0.04790 0.04800 0.04805 0.04859 0.05515 0.05535 0.05610 0.07878 0.08216 0.08397 0.08433 0.08452 0.08459 0.08474 0.08977 0.12101 0.12242 0.12268 0.12281 0.12302 0.12517 0.14570 0.15860 0.15977 0.15998 0.16000 0.16000 0.16000 0.16000 0.16003 0.16005 0.16013 0.16036 0.16043 0.16303 0.17644 0.19585 0.21415 0.21763 0.21897 0.21913 0.21950 0.21965 0.22001 0.22009 0.22066 0.22130 0.23197 0.23657 0.25831 0.26570 0.26777 0.28841 0.29207 0.29297 0.29311 0.29512 0.30409 0.30536 0.32321 0.33814 0.33962 0.34005 0.34010 0.34011 0.34024 0.34032 0.34048 0.34060 0.34134 0.34188 0.34257 0.34289 0.34306 0.34548 0.35258 0.35259 0.35264 0.35266 0.35279 0.35355 0.35377 0.35533 0.35657 0.36339 0.38384 0.42454 0.42512 0.43202 0.43789 0.45486 0.46454 0.46516 0.46727 0.49149 0.50011 0.50194 0.52844 0.53249 RFO step: Lambda=-8.79950516D-09. 1 2 0.00078162 0.00000047 0.00000037 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 2.81789 1.87271 2.94474 2.90995 2.92071 2.91555 2.09410 2.09907 2.91984 2.09282 2.09266 2.92032 2.09917 2.09920 2.92016 2.09766 2.09789 2.67909 2.67443 2.68613 2.67729 2.92141 2.09845 2.09841 2.91801 2.09615 2.09627 2.66783 2.07275 2.66355 2.06989 2.67227 2.06540 2.67468 2.06833 2.08948 2.09111 2.09110 2.67387 2.07126 2.67605 2.07109 2.67083 2.07158 2.66773 2.07122 2.07110 2.07083 1.87389 1.89592 1.84660 1.88377 1.92797 1.97226 1.93208 1.99287 1.90361 1.89134 1.89958 1.90739 1.86485 1.95929 1.90501 1.91285 1.91619 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1.01947 -1.00304 1.12694 -3.13320 1.01874 -3.13447 -1.11143 3.10670 -0.05546 -0.00622 3.11480 -3.11131 0.03926 0.00108 -3.13154 3.13330 -0.00982 -0.00240 3.13767 -3.13373 0.00569 0.00162 3.14103 -3.13640 1.01469 -1.00434 1.01486 -1.11722 -3.13626 -1.00468 -3.13677 1.12738 -3.14069 -1.04241 1.04412 -1.01297 1.08531 -3.11134 1.01456 3.11284 -1.08381 0.00528 3.13754 -3.11576 0.01649 0.00167 3.13984 -3.13837 -0.00020 0.00503 -3.13815 3.13746 -0.00572 -0.00011 3.14138 -3.13956 0.00193 0.00086 3.13711 -3.13137 0.00488 -0.00012 3.13990 -3.13828 0.00173 -0.00599 3.14095 3.13720 0.00096 -0.00065 -3.14067 3.14104 0.00102 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00002 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 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0.00010 0.00014 0.00015 0.00013 0.00016 0.00017 0.00015 0.00016 0.00017 0.00015 0.00004 0.00005 0.00004 0.00003 0.00004 0.00003 0.00004 0.00004 0.00003 0.00019 0.00019 0.00019 0.00019 0.00019 0.00019 0.00019 0.00019 0.00019 0.00008 0.00009 0.00008 0.00008 0.00009 0.00008 0.00009 0.00010 0.00009 0.00003 0.00002 0.00002 0.00001 -0.00004 -0.00005 -0.00003 -0.00004 -0.00002 -0.00003 0.00000 -0.00002 0.00002 0.00003 0.00000 0.00002 0.00009 0.00009 0.00009 0.00008 0.00008 0.00008 0.00009 0.00009 0.00008 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00002 0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 0.00000 0.00000 -0.00001 -0.00002 -0.00003 -0.00001 -0.00001 0.00001 0.00001 0.00002 0.00001 0.00001 0.00002 0.00000 0.00001 0.00000 -0.00001 -0.00002 0.00000 -0.00001 -0.00005 -0.00003 0.00000 -0.00003 0.00002 0.00001 0.00001 -0.00002 -0.00004 0.00000 0.00001 -0.00002 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 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0.00003 0.00010 0.00008 -0.00003 0.00003 0.00001 0.00009 0.00015 0.00014 0.00044 0.00056 0.00050 0.00062 0.00041 0.00053 -0.00011 -0.00007 -0.00016 -0.00012 -0.00008 -0.00004 0.00030 0.00027 0.00027 0.00017 0.00014 0.00014 0.00025 0.00022 0.00022 0.00008 0.00013 0.00011 0.00009 0.00014 0.00012 0.00008 0.00013 0.00011 0.00016 0.00012 0.00011 0.00007 0.00003 0.00002 0.00012 0.00008 0.00007 0.00032 0.00035 0.00034 0.00036 0.00039 0.00038 0.00036 0.00039 0.00039 0.00011 0.00018 0.00000 0.00007 -0.00011 -0.00012 0.00000 -0.00001 -0.00001 0.00003 -0.00005 -0.00001 0.00002 -0.00003 0.00006 0.00001 0.00033 0.00031 0.00029 0.00030 0.00028 0.00026 0.00030 0.00029 0.00027 0.00000 0.00001 0.00001 0.00002 0.00003 0.00003 0.00002 0.00003 0.00003 0.00001 0.00007 -0.00007 0.00000 0.00002 0.00003 -0.00002 -0.00002 -0.00001 0.00001 0.00000 0.00002 -0.00004 0.00001 0.00001 0.00006 -0.00001 -0.00005 -0.00008 -0.00012 0.00000 -0.00001 -0.00001 -0.00002 0.00001 0.00005 -0.00001 0.00004 0.00001 0.00002 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0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00002 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00009 -0.00004 -0.00013 0.00018 0.00023 0.00020 0.00013 0.00018 0.00015 0.00027 0.00031 0.00029 0.00047 0.00061 0.00055 0.00068 0.00046 0.00059 0.00005 0.00007 -0.00004 -0.00002 0.00003 0.00006 0.00044 0.00042 0.00040 0.00033 0.00031 0.00029 0.00041 0.00039 0.00037 0.00013 0.00018 0.00015 0.00013 0.00018 0.00015 0.00012 0.00017 0.00015 0.00035 0.00031 0.00030 0.00027 0.00022 0.00021 0.00031 0.00027 0.00026 0.00040 0.00044 0.00042 0.00044 0.00048 0.00047 0.00045 0.00049 0.00047 0.00014 0.00020 0.00002 0.00007 -0.00016 -0.00018 -0.00003 -0.00005 -0.00003 0.00000 -0.00005 -0.00002 0.00004 0.00000 0.00006 0.00003 0.00042 0.00040 0.00038 0.00038 0.00036 0.00034 0.00039 0.00037 0.00035 -0.00001 0.00001 0.00000 0.00001 0.00002 0.00001 0.00002 0.00003 0.00002 0.00001 0.00007 -0.00004 0.00001 0.00002 0.00003 -0.00001 0.00000 0.00001 0.00002 0.00003 0.00004 -0.00004 0.00000 0.00000 0.00004 -0.00003 -0.00006 -0.00009 -0.00011 0.00001 0.00000 0.00000 -0.00001 0.00002 0.00005 0.00001 0.00003 0.00000 0.00001 -0.00004 -0.00003 2.81783 1.87269 2.94471 2.90991 2.92073 2.91555 2.09411 2.09905 2.91980 2.09282 2.09268 2.92030 2.09916 2.09919 2.92016 2.09764 2.09788 2.67910 2.67438 2.68613 2.67727 2.92139 2.09845 2.09840 2.91801 2.09614 2.09626 2.66779 2.07275 2.66352 2.06988 2.67226 2.06540 2.67466 2.06833 2.08947 2.09110 2.09109 2.67388 2.07125 2.67605 2.07108 2.67080 2.07158 2.66771 2.07122 2.07109 2.07082 1.87396 1.89597 1.84661 1.88382 1.92798 1.97224 1.93198 1.99286 1.90371 1.89132 1.89956 1.90739 1.86479 1.95931 1.90501 1.91281 1.91616 1.90986 1.85793 1.97250 1.91269 1.91028 1.90480 1.90589 1.85390 1.97887 1.90566 1.90618 1.90799 1.90749 1.85346 2.08626 2.11803 2.07853 2.05797 2.15637 2.06883 1.97807 1.90873 1.90835 1.90525 1.90557 1.85375 1.97233 1.90452 1.90477 1.91230 1.91210 1.85405 2.10497 2.08999 2.08804 2.10998 2.07147 2.10173 2.09978 2.07372 2.10965 2.10603 2.10147 2.07569 1.94741 1.93672 1.93674 1.88127 1.88131 1.87757 2.09687 2.09068 2.09560 2.09704 2.09198 2.09416 2.10184 2.08763 2.09371 2.09995 2.08881 2.09443 2.08435 2.09863 2.10019 2.08453 2.09954 2.09911 1.22312 -2.98988 -0.92113 0.99878 3.12791 -1.13126 -1.01935 1.10977 3.13379 3.08874 -1.06532 0.95869 2.96577 -0.20502 -1.26860 1.84379 0.92931 -2.24149 -0.87455 2.26086 -2.97147 0.16393 1.13880 -2.00898 -3.02118 -0.89254 1.13590 1.13060 -3.02394 -0.99550 -0.89998 1.22866 -3.02608 -3.11210 -0.98360 1.04293 1.04881 -3.10588 -1.07935 -0.98432 1.14418 -3.11247 -3.12202 1.02931 -0.99044 1.02824 -1.10361 -3.12336 -0.99141 -3.12326 1.14017 -3.13314 -1.00313 1.01989 -1.00259 1.12743 -3.13274 1.01919 -3.13398 -1.11096 3.10685 -0.05526 -0.00621 3.11487 -3.11146 0.03909 0.00105 -3.13158 3.13327 -0.00982 -0.00245 3.13764 -3.13369 0.00569 0.00168 3.14106 -3.13599 1.01509 -1.00396 1.01524 -1.11686 -3.13592 -1.00429 -3.13640 1.12773 -3.14070 -1.04241 1.04412 -1.01295 1.08534 -3.11132 1.01457 3.11287 -1.08379 0.00530 3.13760 -3.11581 0.01650 0.00169 3.13987 -3.13838 -0.00020 0.00504 -3.13813 3.13749 -0.00568 -0.00015 3.14138 -3.13956 0.00197 0.00082 3.13705 -3.13146 0.00476 -0.00011 3.13990 -3.13829 0.00173 -0.00597 3.14100 3.13721 0.00099 -0.00065 -3.14066 3.14100 0.00099 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000026 0.000004 0.004452 0.000782 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.857227e-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 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 15 15 15 16 16 17 17 18 18 19 19 20 21 2 34 3 7 8 4 22 23 5 24 25 6 26 27 9 28 29 11 13 12 14 10 30 31 15 32 33 16 35 17 36 18 37 19 38 39 40 41 20 42 21 43 20 44 21 45 46 47 1.4912 0.991 1.5583 1.5399 1.5456 1.5428 1.1081 1.1108 1.5451 1.1075 1.1074 1.5454 1.1108 1.1108 1.5453 1.11 1.1102 1.4177 1.4152 1.4214 1.4168 1.5459 1.1105 1.1104 1.5441 1.1092 1.1093 1.4118 1.0969 1.4095 1.0953 1.4141 1.093 1.4154 1.0945 1.1057 1.1066 1.1066 1.4149 1.0961 1.4161 1.096 1.4133 1.0962 1.4117 1.096 1.096 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 A84 A85 2 1 1 1 3 3 7 2 2 2 4 4 22 3 3 3 5 5 24 4 4 4 6 6 26 5 5 5 9 9 28 2 2 11 2 2 12 6 6 6 10 10 30 9 9 9 15 15 32 7 7 16 8 8 17 7 7 18 8 8 19 10 10 10 39 39 40 11 11 20 12 12 21 13 13 20 14 14 21 16 16 18 17 17 19 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 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 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 34 3 7 8 7 8 8 4 22 23 22 23 23 5 24 25 24 25 25 6 26 27 26 27 27 9 28 29 28 29 29 11 13 13 12 14 14 10 30 31 30 31 31 15 32 33 32 33 33 16 35 35 17 36 36 18 37 37 19 38 38 39 40 41 40 41 41 20 42 42 21 43 43 20 44 44 21 45 45 18 46 46 19 47 47 107.3661 108.628 105.8023 107.9322 110.4643 113.0021 110.7002 114.1832 109.0686 108.3659 108.8379 109.2854 106.8483 112.2588 109.1488 109.5981 109.7897 109.4247 106.4513 113.0138 109.5861 109.4529 109.1377 109.2005 106.2223 113.3832 109.1843 109.2165 109.318 109.292 106.1955 119.5346 121.3548 119.0896 117.9119 123.5527 118.5345 113.333 109.3618 109.3421 109.1625 109.1821 106.212 113.0076 109.1202 109.1348 109.5656 109.5562 106.2293 120.6072 119.7472 119.6351 120.8943 118.6871 120.4185 120.3089 118.8157 120.8734 120.6669 120.4053 118.9278 111.5782 110.9659 110.969 107.7883 107.7906 107.5766 120.1417 119.7871 120.0691 120.1508 119.8619 119.987 120.4265 119.6136 119.9599 120.3182 119.68 120.0018 119.4245 120.2424 120.3324 119.4352 120.2942 120.2705 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 34 34 34 1 1 1 7 7 7 8 8 8 1 1 3 3 8 8 1 1 3 3 7 7 2 2 2 22 22 22 23 23 23 3 3 3 24 24 24 25 25 25 4 4 4 26 26 26 27 27 27 5 5 5 28 28 28 29 29 29 2 2 13 13 2 2 11 11 2 2 14 14 2 2 12 12 6 6 6 30 30 30 31 31 31 9 9 9 32 32 32 33 33 33 7 7 35 35 8 8 36 36 7 7 37 37 8 8 38 38 11 11 42 42 12 12 43 43 13 13 44 44 14 14 45 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 2 2 2 3 3 3 3 3 3 3 3 3 7 7 7 7 7 7 8 8 8 8 8 8 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 11 11 11 11 13 13 13 13 12 12 12 12 14 14 14 14 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 20 20 20 20 21 21 21 3 7 8 4 22 23 4 22 23 4 22 23 11 13 11 13 11 13 12 14 12 14 12 14 5 24 25 5 24 25 5 24 25 6 26 27 6 26 27 6 26 27 9 28 29 9 28 29 9 28 29 10 30 31 10 30 31 10 30 31 16 35 16 35 18 37 18 37 17 36 17 36 19 38 19 38 15 32 33 15 32 33 15 32 33 39 40 41 39 40 41 39 40 41 20 42 20 42 21 43 21 43 20 44 20 44 21 45 21 45 18 46 18 46 19 47 19 47 16 46 16 46 17 47 17 70.0851 -171.3051 -52.7694 57.2156 179.2029 -64.8281 -58.4122 63.5752 179.5442 176.9563 -61.0564 54.9126 169.8991 -11.7816 -72.7173 105.602 53.2189 -128.4618 -50.1108 129.5334 -170.2506 9.3936 65.2464 -115.1094 -173.1265 -51.1632 65.0591 64.7596 -173.277 -57.0547 -51.5886 70.3747 -173.403 -178.3175 -56.3663 59.7468 60.0848 -177.9639 -61.8509 -56.4043 65.547 -178.34 -178.8988 58.9575 -56.7651 58.8986 -63.2451 -178.9677 -56.8215 -178.9651 65.3122 -179.539 -57.5002 58.4113 -57.4698 64.5691 -179.5194 58.3693 -179.5919 -63.6804 178.0009 -3.1777 -0.3566 178.4647 -178.2647 2.2496 0.0619 -179.4238 179.525 -0.5626 -0.1375 179.775 -179.5493 0.326 0.0928 179.968 -179.7028 58.1377 -57.5447 58.1474 -64.0122 -179.6946 -57.564 -179.7235 64.5941 -179.9485 -59.7258 59.8239 -58.0388 62.1839 -178.2664 58.1299 178.3525 -62.0978 0.3026 179.7676 -178.5201 0.9449 0.0957 179.8996 -179.8152 -0.0114 0.2884 -179.8028 179.7634 -0.3278 -0.0066 179.9876 -179.8837 0.1105 0.0493 179.7429 -179.4143 0.2794 -0.0068 179.903 -179.8104 0.0994 -0.3433 179.9633 179.7482 0.0548 -0.0374 -179.9472 179.9685 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 256.21339999999987 AuxInfo=1/0/N:15,10,9,6,5,20,21,16,18,17,19,4,11,13,12,14,3,7,8,2,1/E:(6,7)(8,9,10,11)(13,14,15,16)(18,19)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,13.3,14.3,15.3,16.3,18.3,19.3/rA:47OCCCCCC3C3CCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2;s2;s6;s9;s7;s8;s7;s8;s10;s11;s12;s13;s14;s16s18;s17s19;s3;s3;s4;s4;s5;s5;s6;s6;s9;s9;s10;s10;s1;s11;s12;s13;s14;s15;s15;s15;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.440327 0.000000 2.383680 1.559666 0.000000 2.909345 2.603565 1.540172 0.000000 4.310924 3.947949 2.531692 1.531853 0.000000 5.304899 5.164738 3.917282 2.562564 1.532521 0.000000 2.440199 1.535695 2.544014 3.082357 4.477255 5.476831 0.000000 2.386181 1.537457 2.600343 3.978401 5.130576 6.488123 2.519323 0.000000 6.678902 6.481101 5.090345 3.931556 2.560066 1.531128 6.874399 7.686315 0.000000 7.776538 7.718412 6.430229 5.117678 3.928972 2.557261 7.991430 9.016795 1.531082 0.000000 3.709225 2.500274 3.115824 3.755912 4.885873 5.932069 1.373382 3.031083 7.200986 8.366834 0.000000 2.900598 2.500213 3.860740 5.094585 6.372647 7.649239 3.030057 1.372361 8.923620 10.195466 3.573756 0.000000 2.689112 2.500186 3.528901 3.604622 5.079142 5.780368 1.373284 3.559938 7.274351 8.195074 2.415909 3.722909 0.000000 3.437230 2.500177 2.838627 4.375033 5.186978 6.672432 3.558595 1.372545 7.666121 9.101876 3.722948 2.415833 4.764535 0.000000 9.126337 9.019356 7.641614 6.445821 5.113388 3.921298 9.360579 10.234036 2.554379 1.520907 9.656890 11.466507 9.649404 10.177494 0.000000 4.815994 3.782126 4.391995 4.742692 5.816957 6.642443 2.378023 4.326102 7.908373 8.934098 1.394904 4.619723 2.789793 5.059128 10.240687 0.000000 4.196089 3.782130 4.974139 6.330412 7.500729 8.855046 4.325267 2.376429 10.051483 11.382954 4.619776 1.394967 5.059152 2.789736 12.594020 5.590119 0.000000 4.082417 3.781987 4.693989 4.623681 5.980096 6.507197 2.377844 4.711740 7.975114 8.773328 2.789594 4.736036 1.394894 5.868121 10.233510 2.415921 5.958375 0.000000 4.583374 3.781994 4.230017 5.767006 6.523231 8.026171 4.710604 2.376429 8.953614 10.414621 4.736094 2.789665 5.868171 1.394853 11.432645 5.958383 2.416001 6.892534 0.000000 4.964580 4.281328 5.044914 5.111547 6.307185 6.906364 2.745633 5.022038 8.271329 9.126897 2.415811 5.115705 2.416053 5.990067 10.516864 1.394693 6.191023 1.394922 6.931044 0.000000 4.889159 4.281412 5.122085 6.612538 7.565164 9.020303 5.021139 2.743955 10.064802 11.481717 5.115795 2.415960 5.990179 2.416044 12.578612 6.191053 1.394794 6.931098 1.394983 7.018731 0.000000 3.355061 2.204901 1.097649 2.149960 2.709090 4.157049 2.818268 2.893112 5.162970 6.574635 2.872611 4.205162 4.004414 2.792742 7.691121 4.118564 5.174427 4.974449 4.109649 5.020761 5.135897 0.000000 2.623907 2.185528 1.098975 2.129458 2.719476 4.142489 3.491488 2.815638 5.139005 6.522855 4.111857 4.094474 4.422948 2.744562 7.631438 5.436336 5.053062 5.675205 4.037275 6.099411 5.029991 1.772482 0.000000 2.581184 2.851699 2.175166 1.096078 2.157816 2.783716 3.453930 4.255422 4.197097 5.205060 4.415335 5.220525 3.657494 4.815702 6.584413 5.371969 6.497336 4.768541 6.176614 5.520784 6.903874 3.063059 2.466499 0.000000 3.293102 2.854017 2.180335 1.095401 2.148408 2.788969 2.741076 4.311789 4.227935 5.260725 3.280772 5.304407 3.083462 4.865204 6.654004 4.012858 6.597185 3.853073 6.249374 4.259527 6.998677 2.522177 3.052490 1.765605 0.000000 4.894392 4.218905 2.757915 2.160359 1.097079 2.155524 4.599563 5.257729 2.804953 4.239689 4.692244 6.551804 5.379058 5.145265 5.270067 5.566032 7.600417 6.156010 6.427402 6.238506 7.547108 2.476410 3.069581 3.062932 2.489772 0.000000 4.444328 4.208578 2.737686 2.155800 1.097121 2.154506 5.052618 5.198179 2.759366 4.179052 5.537295 6.474012 5.729810 5.078344 5.187156 6.608806 7.501238 6.770821 6.335819 7.160028 7.442002 3.004040 2.465414 2.506721 3.052817 1.761249 0.000000 5.554735 5.322435 4.232574 2.811797 2.158774 1.096851 5.319555 6.722900 2.158474 2.805601 5.665538 7.817950 5.500528 7.024370 4.225775 6.163320 9.073822 6.011851 8.399583 6.325144 9.330072 4.378017 4.704357 3.137117 2.591519 2.486643 3.059098 0.000000 5.105525 5.267888 4.188424 2.763700 2.154637 1.097033 5.661865 6.638690 2.154244 2.760141 6.339640 7.707711 5.776787 6.952750 4.180444 7.072364 8.951394 6.572436 8.310022 7.177751 9.216889 4.678234 4.314056 2.533222 3.083110 3.056998 2.514534 1.761058 0.000000 7.103286 6.686075 5.240805 4.245597 2.807641 2.157204 6.991262 7.809951 1.096840 2.158199 7.108161 9.091570 7.521134 7.675321 2.793781 7.761082 10.165958 8.140886 8.921721 8.252681 10.090429 5.079817 5.364523 4.752374 4.440261 2.606179 3.102905 2.490131 3.058542 0.000000 6.728117 6.604830 5.160431 4.184698 2.764828 2.156030 7.226263 7.690954 1.097063 2.153772 7.623362 8.954319 7.708548 7.553270 2.771915 8.475827 10.008872 8.552416 8.777576 8.907972 9.930280 5.290089 4.973333 4.358061 4.725517 3.107685 2.509928 3.060716 2.514932 1.760997 0.000000 7.973521 7.853735 6.655526 5.271257 4.235244 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0.52171 0.24852 0.52090 0.24922 0.52066 0.24638 0.1932 1.2534 0.6850 1.4413 -126.3064 -119.4445 -124.1836 1.9586 0.6617 0.0758 -2.9949 3.8670 -0.8721 1.9586 0.6617 0.0758 137.7810 -31.4463 2.0150 43.8209 9.3376 -12.8403 29.5115 -6.2831 4.3133 9.4349 -10021.4197 -2503.9979 -695.7316 263.6628 11.6508 32.9198 21.0643 16.5120 -36.4048 -2120.1226 -1804.4667 -512.7543 7.4881 60.1024 5.0997 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 256.21339999999987 AuxInfo=1/0/N:15,10,9,6,5,20,21,16,18,17,19,4,11,13,12,14,3,7,8,2,1/E:(6,7)(8,9,10,11)(13,14,15,16)(18,19)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,13.3,14.3,15.3,16.3,18.3,19.3/rA:47OCCCCCC3C3CCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2;s2;s6;s9;s7;s8;s7;s8;s10;s11;s12;s13;s14;s16s18;s17s19;s3;s3;s4;s4;s5;s5;s6;s6;s9;s9;s10;s10;s1;s11;s12;s13;s14;s15;s15;s15;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.491161 0.000000 2.477152 1.558288 0.000000 2.989105 2.603536 1.542841 0.000000 4.363499 3.969292 2.563924 1.545114 0.000000 5.355678 5.178923 3.949078 2.577313 1.545367 0.000000 2.417725 1.539879 2.545071 3.062823 4.528038 5.483215 0.000000 2.455924 1.545575 2.588309 3.976427 5.146019 6.505375 2.538225 0.000000 6.737822 6.518529 5.146838 3.962373 2.582940 1.545284 6.922737 7.727222 0.000000 7.857536 7.760732 6.494751 5.159958 3.966342 2.582678 8.008165 9.067666 1.545944 0.000000 3.749663 2.556062 3.214204 3.844389 5.097113 6.080503 1.417712 3.038551 7.415694 8.520495 0.000000 2.904172 2.542856 3.890806 5.133244 6.421034 7.697361 3.119144 1.421437 8.990733 10.272951 3.635951 0.000000 2.705415 2.577226 3.535500 3.531687 5.040129 5.665141 1.415246 3.700237 7.191635 8.065826 2.442083 3.956820 0.000000 3.648394 2.610849 2.956174 4.496372 5.335376 6.826624 3.628524 1.416760 7.849324 9.296187 3.750402 2.439603 4.936778 0.000000 9.220553 9.081332 7.723706 6.502899 5.159830 3.961417 9.412225 10.303274 2.576895 1.544144 9.860568 11.560718 9.555108 10.390372 0.000000 4.866115 3.861309 4.483667 4.814029 6.017433 6.765274 2.457853 4.382055 8.103295 9.044950 1.411754 4.754048 2.824659 5.104742 10.408873 0.000000 4.238674 3.855013 5.044808 6.403151 7.590548 8.943648 4.426523 2.462634 10.165243 11.505995 4.683597 1.409490 5.299195 2.822139 12.737323 5.719952 0.000000 4.114980 3.874874 4.721057 4.571272 5.973284 6.399252 2.454094 4.862762 7.903849 8.623345 2.818206 5.000444 1.414105 6.029626 10.125526 2.442237 6.230528 0.000000 4.783039 3.903187 4.367601 5.908582 6.700628 8.210123 4.802213 2.460903 9.174772 10.646950 4.775123 2.817846 6.069820 1.415379 11.689089 6.016786 2.441955 7.086848 0.000000 5.017913 4.383430 5.114094 5.127628 6.413132 6.914750 2.844094 5.146586 8.334772 9.096451 2.449743 5.344856 2.453884 6.107227 10.538272 1.414949 6.422316 1.413340 7.072427 0.000000 5.027029 4.394901 5.243088 6.736303 7.716751 9.175528 5.132517 2.850619 10.253177 11.681158 5.176754 2.448898 6.227341 2.452238 12.801636 6.293003 1.416107 7.179548 1.411700 7.216531 0.000000 3.434682 2.187362 1.108148 2.170816 2.836475 4.251452 2.806891 2.837381 5.307677 6.697039 2.953228 4.214557 3.994279 2.826691 7.844297 4.188757 5.222543 4.979576 4.185660 5.065088 5.216799 0.000000 2.743557 2.180107 1.110781 2.178580 2.739708 4.207452 3.495788 2.778931 5.208874 6.634731 4.199497 4.076533 4.457670 2.851832 7.746422 5.526643 5.077896 5.727162 4.161738 6.181790 5.118351 1.781953 0.000000 2.568612 2.779279 2.174353 1.107474 2.184622 2.828852 3.307354 4.218642 4.261359 5.298840 4.385263 5.182656 3.432037 4.952291 6.695795 5.316445 6.506106 4.564931 6.328270 5.396851 7.002159 3.082087 2.573596 0.000000 3.427332 2.893853 2.180097 1.107391 2.179855 2.794286 2.756641 4.327212 4.247315 5.267254 3.351687 5.394639 3.048448 4.949316 6.678502 4.064392 6.702883 3.821343 6.353789 4.271641 7.118195 2.482066 3.092619 1.774105 0.000000 4.987524 4.278315 2.781768 2.184502 1.110831 2.178915 4.746185 5.280992 2.817801 4.255253 5.011684 6.639387 5.454541 5.242727 5.283249 5.898088 7.717259 6.282767 6.557237 6.483574 7.687684 2.601780 3.012815 3.101013 2.550656 0.000000 4.452644 4.223269 2.806470 2.182792 1.110847 2.179743 5.095738 5.226373 2.802543 4.250372 5.769026 6.497988 5.674124 5.291257 5.268322 6.828319 7.582577 6.752212 6.581053 7.270904 7.624149 3.214119 2.521892 2.529296 3.096503 1.776901 0.000000 5.623760 5.331574 4.234291 2.811601 2.178927 1.110032 5.319686 6.720744 2.180588 2.808512 5.773847 7.872865 5.388704 7.120995 4.250559 6.247185 9.156225 5.897827 8.522383 6.308017 9.449466 4.403810 4.741090 3.170605 2.571776 2.526327 3.094614 0.000000 5.135885 5.271838 4.241210 2.794924 2.179436 1.110155 5.613118 6.666225 2.180342 2.815186 6.424738 7.739332 5.584065 7.151190 4.251708 7.112115 9.030679 6.367443 8.536288 7.090073 9.390040 4.785510 4.441622 2.591340 3.093548 3.094427 2.541927 1.775396 0.000000 7.161025 6.715504 5.260525 4.257097 2.810194 2.181469 7.076858 7.820006 1.110452 2.179462 7.368313 9.151223 7.499700 7.786058 2.804805 8.029571 10.262184 8.155391 9.069008 8.405454 10.231134 5.188690 5.354185 4.799783 4.459221 2.588281 3.117085 2.540415 3.096819 0.000000 6.788273 6.673398 5.272831 4.250017 2.816994 2.181199 7.303238 7.780134 1.110433 2.179703 7.892664 9.042688 7.642054 7.822672 2.800521 8.721850 10.157419 8.500698 9.091688 9.007552 10.184946 5.524082 5.099491 4.440458 4.781066 3.153589 2.579088 3.096747 2.533747 1.776148 0.000000 8.042533 7.861157 6.668507 5.279016 4.249882 2.810474 7.895307 9.220016 2.178010 1.109236 8.301037 10.402578 7.874517 9.509414 2.182197 8.661363 11.668760 8.258833 10.884085 8.643314 11.892959 6.789505 6.981609 5.489446 5.151050 4.436858 4.781085 2.579509 3.141259 2.530872 3.093271 0.000000 7.707737 7.820916 6.674930 5.268942 4.251851 2.806089 8.093334 9.182727 2.178245 1.109297 8.764624 10.303205 8.003497 9.537122 2.182121 9.300845 11.573224 8.592594 10.901066 9.222947 11.850690 7.046346 6.786148 5.173107 5.426545 4.787180 4.448196 3.122992 2.581926 3.093295 2.535376 1.774468 0.000000 0.990995 2.021823 2.709885 3.375772 4.530728 5.609606 3.275404 2.548394 6.868841 8.052264 4.508199 3.001326 3.693957 3.518496 9.332452 5.720257 4.157981 5.103003 4.548634 5.971449 4.817003 3.698664 2.558558 2.930342 4.048941 5.174342 4.373380 6.049302 5.365066 7.309343 6.758834 8.364126 7.883717 0.000000 4.155226 2.749187 3.174334 4.105430 5.170496 6.325393 2.180851 2.809439 7.532662 8.753817 1.096851 3.582801 3.437085 3.110067 9.997953 2.174283 4.417566 3.914842 4.044602 3.440752 4.618462 2.620299 4.017880 4.801610 3.791016 4.905360 5.746857 6.111747 6.792924 7.362105 7.942347 8.595867 9.093536 4.735708 0.000000 2.658560 2.701271 4.221938 5.216874 6.631511 7.760666 2.962381 2.171406 9.146749 10.324596 3.703884 1.095338 3.412588 3.427800 11.686545 4.639735 2.179401 4.406373 3.913153 4.943436 3.444186 4.697556 4.535458 5.092575 5.376405 6.976374 6.781177 7.872873 7.681855 9.404792 9.250065 10.407921 10.263509 2.953671 3.961584 0.000000 2.281898 2.766833 3.710976 3.547500 5.047004 5.576093 2.165317 3.966256 7.114246 7.931138 3.427580 4.139303 1.092964 5.278309 9.435593 3.917547 5.515024 2.186424 6.418368 3.448427 6.523767 4.421354 4.464116 3.107859 3.282669 5.661047 5.553140 5.430355 5.288930 7.572469 7.471742 7.831135 7.726895 3.233769 4.333276 3.465580 0.000000 3.992450 2.845835 2.579779 4.076106 4.648783 6.177763 3.887612 2.185131 7.066456 8.553019 3.928115 3.439355 5.237544 1.094515 9.563709 5.284637 3.916492 6.319386 2.167933 6.346445 3.435032 2.210193 2.378298 4.701441 4.588555 4.412648 4.580659 6.511164 6.624345 6.911296 7.027980 8.790922 8.881317 3.857966 3.197917 4.341237 5.602328 0.000000 10.031460 9.955298 8.654873 7.357276 6.100077 4.781603 10.201756 11.234422 3.540689 2.205179 10.664069 12.458142 10.231285 11.389402 1.105707 11.124005 13.671435 10.715450 12.709065 11.151044 13.792547 8.804030 8.726531 7.478561 7.452350 6.270489 6.260913 4.937958 4.942157 3.820697 3.818151 2.530766 2.531224 10.182233 10.868504 12.522728 10.082498 10.589520 0.000000 9.571440 9.263112 7.840472 6.724759 5.317176 4.285290 9.563565 10.413885 2.843171 2.198105 9.862701 11.726131 9.823281 10.384803 1.106569 10.386656 12.855836 10.354806 11.648678 10.626495 12.826021 7.805693 7.886014 7.086361 6.851482 5.206268 5.482274 4.477754 4.816981 2.618084 3.160683 2.548626 3.108428 9.699084 9.909432 11.928291 9.818864 9.492151 1.787364 0.000000 9.290555 9.229310 7.846615 6.717291 5.319404 4.282782 9.729109 10.381333 2.843982 2.198141 10.258800 11.638103 9.927840 10.411143 1.106564 10.929236 12.769305 10.624687 11.665500 11.106164 12.787377 8.032197 7.713174 6.843060 7.062590 5.510469 5.193463 4.813603 4.470324 3.168994 2.614390 3.108470 2.547996 9.285869 10.347330 11.802184 9.735580 9.577320 1.787386 1.785643 0.000000 5.855640 4.730549 5.227242 5.623740 6.686513 7.443837 3.447789 5.056870 8.684309 9.627258 2.175269 5.432689 3.920688 5.561433 10.924198 1.096061 6.221638 3.437714 6.335852 2.181179 6.640663 4.736366 6.240302 6.241924 4.861764 6.406719 7.517825 6.874094 7.902381 8.485748 9.341095 9.189897 9.979541 6.661128 2.498669 5.439767 5.013538 5.687320 11.642224 10.801796 11.485593 0.000000 4.902338 4.716728 6.017036 7.302067 8.555099 9.858548 5.131854 3.452424 11.125419 12.428370 5.407276 2.173966 5.809613 3.918097 13.694800 6.287664 1.095973 6.632507 3.436556 6.855213 2.181266 6.247532 6.075961 7.313602 7.556500 8.733122 8.556606 10.046232 9.879101 11.265558 11.123303 12.575080 12.443951 4.844072 5.253158 2.509778 5.969666 5.012463 14.605978 13.849462 13.730382 6.779462 0.000000 4.721696 4.751098 5.586298 5.248945 6.613158 6.840130 3.443686 5.788197 8.347122 8.907953 3.914421 5.816182 2.175651 7.019875 10.435262 3.437410 7.043979 1.096232 8.070476 2.178698 8.087298 5.943717 6.553948 5.072330 4.494626 7.024873 7.392463 6.296849 6.673709 8.692996 8.967738 8.500213 8.772942 5.700578 5.011024 5.086344 2.516701 7.329796 10.934494 10.742964 10.961360 4.346548 7.345139 0.000000 5.723097 4.785532 4.984621 6.516355 7.108538 8.646792 5.700820 3.449468 9.468334 10.979783 5.548048 3.913872 7.023708 2.177357 11.913646 6.763168 3.437425 8.017370 1.096041 7.912545 2.177514 4.654246 4.672792 7.028549 6.997954 6.839538 6.924049 8.997634 9.061126 9.264690 9.337065 11.251713 11.310232 5.431069 4.688697 5.009163 7.402968 2.487521 12.965471 11.795081 11.852208 6.966040 4.345565 9.030614 0.000000 6.078299 5.479367 6.169303 6.093963 7.308097 7.680377 3.940073 6.207023 9.061502 9.708863 3.443690 6.335391 3.447739 7.135497 11.138255 2.182970 7.341469 2.182483 8.045022 1.095980 8.142802 6.068873 7.249502 6.360759 5.165013 7.340935 8.219701 6.968154 7.863340 9.106080 9.807555 9.155215 9.845901 7.041338 4.346129 5.897576 4.356947 7.368587 11.683644 11.204601 11.779274 2.516130 7.697914 2.514281 8.861579 0.000000 6.082383 5.490613 6.309122 7.814502 8.751053 10.227778 6.190041 3.946456 11.265286 12.712790 6.154051 3.442774 7.262920 3.446158 13.798198 7.194700 2.184451 8.160632 2.180226 8.138665 1.095837 6.237166 6.133773 8.084709 8.201862 8.684320 8.619448 10.515453 10.455099 11.212690 11.165204 12.940452 12.897031 5.827177 5.551129 4.351855 7.563141 4.338267 14.804182 13.797533 13.757383 7.452374 2.516665 9.055071 2.512146 9.016917 0.000000 0.4245502 0.1316015 0.1104241 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= 246 247 247 248 248 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 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= 15931 NPrTT= 79920 LenC2= 13348 LenP2D= 41403. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 262 RedAO= T EigKep= 7.96D-04 NBF= 262 NBsUse= 262 1.00D-06 EigRej= -1.00D+00 NBFU= 262 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= 245 247 247 247 248 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 0 1 -851.298172607452 -851.457122082048 -0.158949474595 -851.748783841641 -0.291661759593 -851.754644823994 -0.005860982354 -851.761396724719 -0.006751900725 -851.761777259438 -0.000380534719 -851.761811984129 -0.000034724691 -851.761816202582 -0.000004218453 -851.761917379395 -0.000101176814 -851.761917511282 -0.000000131887 -851.761917665822 -0.000000154540 -851.761917852413 -0.000000186591 -851.761917859226 -0.000000006813 -851.761917859699 -0.000000000473 -851.761917859751 -0.000000000052 -851.761917859764 -0.000000000013 -851.761917860 16 8.485297800708e+02 -5.167348359226e+03 1.873295582709e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=602845143. IVT= 227720 IEndB= 227720 NGot= 939524096 MDV= 345774546 LenX= 345774546 LenY= 345705461 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 34453 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 7.60166901e-02 4.93111310e-01 2.69486850e-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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.000441583 -0.023633199 -0.026702897 -0.007287863 0.008275794 0.015948745 -0.001971730 -0.007247149 0.000578008 0.001864687 0.001016823 0.004018165 -0.001315845 -0.001714431 -0.001671768 0.001182402 0.002128800 0.000755138 -0.007201463 0.052450497 -0.026266766 -0.053881556 -0.024309605 -0.000494460 -0.000078791 -0.002000356 -0.001794119 0.002880706 -0.001209758 -0.000459559 0.003087714 -0.008970943 0.025153771 0.028515035 -0.004613434 -0.010808907 -0.001299653 -0.025094714 -0.018178977 0.008938128 0.025257173 0.018972812 -0.002529510 0.000592627 0.000792694 0.001519481 -0.001999019 0.013640798 0.010727878 -0.004833332 -0.006968150 -0.000026856 -0.011153870 -0.005794585 0.003484937 0.011508071 0.007750656 0.001424648 -0.014350493 0.002815068 0.010451457 0.008713830 0.004714258 0.001185105 0.000200509 0.006508912 0.003073257 0.007881124 -0.000469519 0.001308413 -0.000992257 -0.006873491 0.001690810 -0.007726870 0.000814489 0.000678334 0.000686142 0.008590413 -0.000555839 0.008894640 -0.001171304 -0.000018628 -0.008170630 0.001264288 -0.000440385 -0.000926349 -0.008361302 -0.000128005 0.000702633 0.008544998 0.000265082 0.008466245 -0.001225068 0.000788854 -0.008262545 0.000747459 0.001278679 -0.001159886 -0.008142799 0.001031414 0.013570182 -0.004642237 0.001008106 0.007164508 0.002232058 -0.004045204 -0.005609127 -0.002752943 -0.000925882 0.009008080 -0.003358336 -0.008255293 -0.002790887 -0.000410272 -0.007448825 -0.001755433 -0.001454348 -0.001289990 0.000762560 0.007550050 -0.001054754 0.007504961 -0.001124250 0.001175375 -0.001809745 0.006518500 0.006203512 -0.001633463 -0.002390807 -0.000377652 -0.005262191 -0.004440970 0.000242875 0.005527085 0.004230811 0.000793116 -0.006560017 0.002119431 0.005775306 0.003477420 0.001696314 0.053881556 0.010448482 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -851.782627343284 -851.782704201294 -0.000076858010 -851.782941721749 -0.000237520455 -851.782940655730 0.000001066020 -851.782942334662 -0.000001678933 -851.782942346899 -0.000000012237 -851.782942380702 -0.000000033803 -851.782942381458 -0.000000000756 -851.782942381580 -0.000000000123 -851.782942381548 0.000000000032 -851.782942382 10 8.471186777951e+02 -5.119291850685e+03 1.850108638769e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=602845143. IVT= 227720 IEndB= 227720 NGot= 939524096 MDV= 345774546 LenX= 345774546 LenY= 345705461 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 34453 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. 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 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 -18.759575 -9.967722 -9.915417 -9.908520 -9.908312 -9.907922 -9.907560 -9.906730 -9.902892 -9.900455 -9.899441 -9.898809 -9.898498 -9.894836 -9.892856 -9.883776 -9.883171 -9.881312 -9.880958 -9.879785 -9.875952 -0.929183 -0.780606 -0.768902 -0.728395 -0.714429 -0.691617 -0.675758 -0.670515 -0.665924 -0.656122 -0.616713 -0.582729 -0.554210 -0.543516 -0.535310 -0.533142 -0.510535 -0.507126 -0.502039 -0.468921 -0.454326 -0.434984 -0.422363 -0.409516 -0.408973 -0.397643 -0.391398 -0.385858 -0.382020 -0.376905 -0.373427 -0.368975 -0.364770 -0.358538 -0.352167 -0.328832 -0.326321 -0.322280 -0.318240 -0.314901 -0.309489 -0.302621 -0.299408 -0.293310 -0.289603 -0.285499 -0.275037 -0.272413 -0.268118 -0.265585 -0.260109 -0.238750 -0.227988 -0.218149 -0.213996 -0.209467 -0.045134 -0.040061 -0.032245 -0.026649 0.049271 0.082897 0.085674 0.089707 0.094765 0.097659 0.101274 0.106426 0.112043 0.121042 0.125174 0.131566 0.136230 0.138507 0.142156 0.146195 0.147515 0.152505 0.154807 0.157821 0.159208 0.168375 0.172166 0.174497 0.182422 0.184904 0.188405 0.193708 0.195887 0.202269 0.203662 0.211327 0.214744 0.217163 0.222767 0.232365 0.236306 0.240283 0.245575 0.248642 0.255948 0.264177 0.269869 0.273817 0.276211 0.281874 0.283050 0.285143 0.293786 0.297355 0.303894 0.309979 0.313180 0.324702 0.327222 0.329538 0.342874 0.346934 0.352340 0.354651 0.357212 0.364584 0.366432 0.368953 0.371643 0.372289 0.378667 0.386818 0.395626 0.397286 0.408352 0.411660 0.414237 0.426175 0.426860 0.430257 0.435819 0.439301 0.444410 0.462120 0.462955 0.467749 0.475428 0.482728 0.489028 0.499307 0.511146 0.515247 0.518298 0.527278 0.541211 0.559924 0.568091 0.572177 0.578462 0.595725 0.606224 0.614494 0.625066 0.629015 0.643755 0.645992 0.648597 0.677847 0.679855 0.702849 0.712904 0.730602 0.752787 0.770863 0.816397 0.834314 0.854860 0.879944 0.887702 0.906147 0.916490 0.921072 0.933286 0.938473 0.958849 0.969361 0.975048 0.978077 0.990375 0.993806 0.999191 1.016928 1.030604 1.044633 1.056049 1.065645 1.074134 1.075708 1.087841 1.107272 1.109725 1.124145 1.133492 1.142108 1.158563 1.165292 1.182484 1.189833 1.194239 1.200348 1.218817 1.253559 1.279068 1.295627 1.301957 1.321986 1.339713 1.388631 1.436542 1.457695 1.504446 1.518016 1.584104 1.795125 22.314132 22.390626 22.513480 22.552809 22.558740 22.567227 22.575445 22.583072 22.615967 22.643611 22.650983 22.666476 22.681424 22.685696 22.693361 22.700647 22.710499 22.739876 22.781240 22.793426 41.568890 29.117403 15.959144 15.954102 15.955321 15.954198 15.955994 15.954517 15.955734 15.954262 15.955686 15.956022 15.955959 15.954444 15.956250 15.954422 15.958923 15.958056 15.958456 15.957903 15.957152 15.957731 2.474165 1.523592 1.494392 1.410709 1.441290 1.425253 1.595840 1.616180 1.615363 1.458466 1.518745 1.513154 1.394434 1.469373 1.491600 1.497334 1.369622 1.176905 1.428416 1.071335 1.128237 1.445987 0.883445 1.187618 1.290496 1.108683 1.294191 1.243067 1.378084 1.241803 1.197157 1.117061 1.196576 1.121816 1.155868 1.270129 0.994521 1.200354 1.316167 1.114744 1.297450 1.407626 1.376129 1.316986 1.201407 1.290614 1.249278 1.121264 1.132158 1.553088 1.541571 1.542200 1.139761 1.144928 1.811953 1.319078 1.463121 1.376024 1.393672 1.445642 1.470327 1.678373 1.104038 1.080884 0.986268 1.589204 1.109462 1.180962 1.330933 1.123176 1.433964 1.168471 1.145233 1.205231 1.241370 1.145953 1.112578 1.280337 1.118952 1.277315 1.239565 1.218498 1.420809 1.270594 0.950171 1.172279 1.331607 1.205692 1.141274 1.521228 1.202748 1.021807 1.305414 1.311605 1.367942 1.155358 1.498436 1.245605 1.565391 1.295759 1.284913 1.289846 1.604049 1.361131 1.480281 1.311563 1.409097 1.427430 1.266416 1.407824 1.774950 1.179870 1.142550 1.366507 1.590073 1.418903 1.686434 1.609012 1.715768 1.521667 1.808748 1.845083 1.680741 1.570862 1.735791 1.556942 1.502288 1.663095 1.718876 1.749300 1.612851 1.983183 1.987883 2.002779 1.764995 1.936444 1.969933 2.135958 2.068528 1.844876 1.820856 2.068389 1.954862 2.295820 2.243087 2.382198 2.342273 2.129594 2.179401 1.582611 1.832007 2.004414 1.574332 1.876821 1.912734 1.948597 2.245770 2.458022 3.003522 2.606991 2.363632 2.221002 2.207475 2.054420 1.950721 2.166386 2.644914 2.780490 2.463425 2.405024 2.564076 2.752922 3.056285 2.734402 2.698481 3.042651 2.846917 2.898880 2.909933 2.995946 2.986813 2.995329 2.918047 2.996388 3.046602 2.724933 2.700337 2.985867 3.048944 3.081100 3.048920 2.794865 2.836694 2.806404 2.585708 2.798569 2.630315 2.663877 2.637848 2.621296 2.559325 2.545422 2.587635 2.590697 2.619952 2.626558 2.590048 2.833136 2.817804 2.766576 2.701574 2.946111 2.790284 2.881687 2.887520 2.954430 2.897279 2.937680 3.019889 5.135274 57.408963 57.405825 57.417196 57.412707 57.406272 57.406260 57.410525 57.410065 57.408584 57.397968 57.400233 57.386874 57.390284 57.398127 57.384084 57.396723 57.378764 57.391699 57.378433 57.385712 105.844797 8.471186777951D+02 PT4293.700S 2017-06-15T11:35:13.000+02:00 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 O C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.454910 0.022989 -0.521318 -0.391052 -0.374434 -0.386800 0.415874 0.407641 -0.361430 -0.367400 -0.406406 -0.381227 -0.428955 -0.428563 -0.701412 -0.251682 -0.238107 -0.232951 -0.271246 -0.253822 -0.248324 0.202870 0.202799 0.213650 0.222990 0.193071 0.188651 0.200603 0.192816 0.193271 0.188548 0.200211 0.198858 0.345883 0.249734 0.272238 0.295306 0.269435 0.217386 0.211498 0.210816 0.229052 0.231776 0.229459 0.229775 0.229876 0.232961 0.00000 -9.90792 -9.90756 -9.90673 -9.90289 -9.90045 -9.89944 -9.89881 -9.89850 -9.89484 -9.89286 -9.88378 -9.88317 -9.88131 -9.88096 -9.87979 -9.87595 -0.92918 -0.78061 -0.76890 -0.72839 -0.71443 -0.69162 -0.67576 -0.67052 -0.66592 -0.65612 -0.61671 -0.58273 -0.55421 -0.54352 -0.53531 -0.53314 -0.51053 -0.50713 -0.50204 -0.46892 -0.45433 -0.43498 -0.42236 -0.40952 -0.40897 -0.39764 -0.39140 -0.38586 -0.38202 -0.37690 -0.37343 -0.36898 -0.36477 -0.35854 -0.35217 -0.32883 -0.32632 -0.32228 -0.31824 -0.31490 -0.30949 -0.30262 -0.29941 -0.29331 -0.28960 -0.28550 -0.27504 -0.27241 -0.26812 -0.26559 -0.26011 -0.23875 -0.22799 -0.21815 -0.21400 -0.20947 -0.04513 -0.04006 -0.03225 -0.02665 0.04927 0.08290 0.08567 0.08971 0.09477 0.09766 0.10127 0.10643 0.11204 0.12104 0.12517 0.13157 0.13623 0.13851 0.14216 0.14620 0.14752 0.15250 0.15481 0.15782 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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 H 1S 2S 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 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 C 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 H 1S|2S|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 1.13236 0.85940 0.94313 0.93619 1.35164 1.08236 0.99889 0.54177 0.31069 0.31052 1.17448 0.81363 0.73190 0.63795 0.89835 0.90356 0.70229 0.01011 0.10109 0.00458 1.17430 0.81409 0.72187 0.65819 0.85825 0.89302 0.90639 0.06626 0.18805 0.21341 1.17427 0.81415 0.71981 0.63841 0.84696 0.89668 0.92025 0.04066 0.13961 0.18327 1.17431 0.81419 0.72226 0.62623 0.86132 0.88602 0.90344 0.04674 0.16275 0.17987 1.17431 0.81422 0.72377 0.61889 0.85850 0.88758 0.90599 0.04500 0.15777 0.19011 1.17440 0.81388 0.75263 0.43364 0.78000 0.88992 0.91343 0.20017 -0.16623 -0.17989 1.17441 0.81383 0.74974 0.44441 0.89416 0.84128 0.84434 -0.14362 -0.02669 0.03948 1.17432 0.81423 0.72473 0.61236 0.85924 0.88548 0.90437 0.04024 0.15456 0.18412 1.17431 0.81428 0.72442 0.60734 0.85267 0.88849 0.90755 0.04835 0.15574 0.18415 1.17437 0.81400 0.75050 0.54875 0.77533 0.93074 0.91160 0.23082 0.10063 0.15299 1.17439 0.81399 0.75265 0.55281 0.90424 0.85907 0.84754 0.01433 0.20850 0.23575 1.17438 0.81402 0.75156 0.56041 0.76115 0.91147 0.94269 0.23315 0.00905 0.24437 1.17437 0.81400 0.74910 0.57140 0.93056 0.84552 0.84204 0.12868 0.16102 0.21261 1.17427 0.81436 0.72498 0.68404 0.88457 0.90295 0.91076 0.17046 0.20712 0.22365 1.17441 0.81412 0.75431 0.53044 0.76651 0.91424 0.92413 0.24357 -0.02269 0.13866 1.17441 0.81412 0.75441 0.53269 0.92710 0.84186 0.83624 0.11952 0.09082 0.13920 1.17442 0.81413 0.75376 0.53023 0.76278 0.92752 0.91305 0.24105 0.07955 0.03104 1.17441 0.81410 0.75305 0.53543 0.90591 0.85452 0.84467 -0.02723 0.19987 0.19086 1.17442 0.81416 0.75445 0.53849 0.76594 0.93378 0.90305 0.23367 0.12620 0.00218 1.17442 0.81415 0.75540 0.54003 0.92342 0.84623 0.83161 0.11051 0.13083 0.11608 0.51407 0.28134 0.51333 0.28099 0.51123 0.27864 0.51309 0.26854 0.51397 0.29851 0.51402 0.29793 0.51350 0.29290 0.51367 0.29493 0.51360 0.29934 0.51362 0.29988 0.51416 0.29007 0.51418 0.29074 0.48734 0.17044 0.51632 0.24417 0.51325 0.21995 0.51200 0.20193 0.51906 0.23152 0.51143 0.27342 0.51098 0.27956 0.51100 0.27976 0.51645 0.26073 0.51599 0.25768 0.51643 0.26057 0.51630 0.25913 0.51621 0.25859 0.51589 0.25538 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 C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.466948 0.022063 -0.493820 -0.374074 -0.377120 -0.376137 0.388055 0.368656 -0.353640 -0.357314 -0.389724 -0.363273 -0.402247 -0.429320 -0.697154 -0.237712 -0.230385 -0.227534 -0.245607 -0.246354 -0.242679 0.204586 0.205680 0.210128 0.218376 0.187519 0.188047 0.193597 0.191400 0.187058 0.186492 0.195770 0.195077 0.342218 0.239503 0.266803 0.286071 0.249424 0.215153 0.209460 0.209243 0.222819 0.226334 0.223002 0.224568 0.225208 0.228728 0.00000 4.95877458e-02 5.44777474e-01 2.76111034e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.1260 1.3847 0.7018 1.5575 -126.2087 -120.2935 -123.9357 3.0905 1.3705 0.2234 -2.7294 3.1858 -0.4564 3.0905 1.3705 0.2234 138.4294 -39.0947 -0.2870 42.2816 17.2499 -10.1241 30.9406 -3.3086 6.4478 6.4879 -10228.0662 -2597.1475 -720.9319 222.9474 -50.0205 -23.5752 10.2700 -20.7850 -40.1614 -2173.6235 -1837.2424 -527.9063 8.0571 61.7886 -10.1521 0 -851.7829424 7.786E-9 7.198E-6 -2.0292707,2.3685802,-0.3393095,2.2977364,1.0189146,0.1660938 C01 [X(C20H26O1)] 0.0495877 0.5447775 0.276111 @ 0.000000992 0.000018329 0.000013419 -0.000012157 -0.000005351 -0.000025952 0.000015323 -0.000004911 -0.000002486 -0.000014081 0.000014911 0.000002299 0.000008529 -0.000016151 -0.000006944 0.000002775 -0.000000777 0.000004441 -0.000005336 -0.000013692 -0.000015221 0.000010591 0.000007639 0.000008071 -0.000001897 -0.000005441 -0.000002162 0.000002896 -0.000005009 0.000000538 0.000008457 -0.000007630 0.000016870 0.000017727 0.000000714 -0.000000958 0.000007167 0.000019171 0.000010863 -0.000003732 -0.000006354 0.000001278 -0.000004783 -0.000001757 -0.000003352 0.000005281 0.000024443 -0.000002145 -0.000016932 0.000000190 0.000003524 0.000005782 0.000001552 0.000015316 -0.000003689 -0.000001203 -0.000007841 -0.000004626 -0.000005853 -0.000013023 -0.000000509 0.000006255 0.000005017 -0.000007224 0.000008019 0.000006313 -0.000000433 -0.000004818 0.000005357 0.000000006 0.000000032 0.000001590 0.000004134 -0.000004215 0.000002045 -0.000006274 0.000003562 -0.000002643 0.000000302 -0.000004622 0.000000284 -0.000000659 -0.000000509 -0.000006447 0.000000960 0.000001161 0.000002274 0.000000704 -0.000001896 -0.000004208 -0.000002981 -0.000007391 -0.000001889 0.000000348 0.000001167 -0.000004134 -0.000000630 -0.000003626 0.000001181 0.000001027 -0.000014683 -0.000000069 -0.000004069 0.000000681 -0.000000172 -0.000003111 0.000004233 0.000003517 0.000000479 0.000000150 0.000001472 -0.000000164 0.000001328 -0.000001465 0.000004549 -0.000002843 -0.000001362 -0.000000502 -0.000004786 -0.000005699 0.000000980 -0.000009264 -0.000001876 -0.000002861 0.000001284 -0.000000543 -0.000001511 0.000005035 0.000002770 0.000003116 0.000003930 -0.000000253 -0.000002940 0.000000896 0.000001951 0.000005423 0.000005713 -0.000001260 -0.000006445 0.000002390 0.000001714 256.21339999999987 AuxInfo=1/0/N:15,10,9,6,5,20,21,16,18,17,19,4,11,13,12,14,3,7,8,2,1/E:(6,7)(8,9,10,11)(13,14,15,16)(18,19)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,13.3,14.3,15.3,16.3,18.3,19.3/rA:47OCCCCCC3C3CCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2;s2;s6;s9;s7;s8;s7;s8;s10;s11;s12;s13;s14;s16s18;s17s19;s3;s3;s4;s4;s5;s5;s6;s6;s9;s9;s10;s10;s1;s11;s12;s13;s14;s15;s15;s15;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2125 CBGUSER 000087006 EM64L-G09RevD.01 16-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 135 C1[X(C20H26O)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 256.21339999999987 0 1 AuxInfo=1/0/N:15,10,9,6,5,20,21,16,18,17,19,4,11,13,12,14,3,7,8,2,1/E:(6,7)(8,9,10,11)(13,14,15,16)(18,19)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,13.3,14.3,15.3,16.3,18.3,19.3/rA:47OCCCCCC3C3CCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2;s2;s6;s9;s7;s8;s7;s8;s10;s11;s12;s13;s14;s16s18;s17s19;s3;s3;s4;s4;s5;s5;s6;s6;s9;s9;s10;s10;s1;s11;s12;s13;s14;s15;s15;s15;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-8405.inp" -scrdir="/scratch/" chk=000087006-Freq.chk nprocshared=8 mem=31GB #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 000087006 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 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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| 0.000051 0.000014 0.077713 0.018238 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.076262e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1570.2816010892 262 608 262 77 77 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 0 256.21339999999987 AuxInfo=1/0/N:15,10,9,6,5,20,21,16,18,17,19,4,11,13,12,14,3,7,8,2,1/E:(6,7)(8,9,10,11)(13,14,15,16)(18,19)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,13.3,14.3,15.3,16.3,18.3,19.3/rA:47OCCCCCC3C3CCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2;s2;s6;s9;s7;s8;s7;s8;s10;s11;s12;s13;s14;s16s18;s17s19;s3;s3;s4;s4;s5;s5;s6;s6;s9;s9;s10;s10;s1;s11;s12;s13;s14;s15;s15;s15;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 1.491161 0.000000 2.477152 1.558288 0.000000 2.989105 2.603536 1.542841 0.000000 4.363499 3.969291 2.563924 1.545113 0.000000 5.355678 5.178922 3.949078 2.577312 1.545366 0.000000 2.417725 1.539879 2.545071 3.062824 4.528038 5.483214 0.000000 2.455923 1.545576 2.588309 3.976427 5.146020 6.505375 2.538225 0.000000 6.737822 6.518529 5.146838 3.962372 2.582939 1.545285 6.922736 7.727222 0.000000 7.857535 7.760731 6.494751 5.159957 3.966342 2.582678 8.008165 9.067666 1.545945 0.000000 3.749663 2.556063 3.214204 3.844389 5.097113 6.080503 1.417711 3.038551 7.415694 8.520495 0.000000 2.904171 2.542856 3.890806 5.133244 6.421034 7.697361 3.119144 1.421436 8.990732 10.272951 3.635951 0.000000 2.705415 2.577226 3.535500 3.531687 5.040129 5.665140 1.415246 3.700236 7.191634 8.065826 2.442083 3.956820 0.000000 3.648393 2.610848 2.956174 4.496372 5.335376 6.826623 3.628524 1.416760 7.849324 9.296187 3.750402 2.439603 4.936778 0.000000 9.220553 9.081332 7.723706 6.502898 5.159830 3.961417 9.412225 10.303275 2.576895 1.544144 9.860568 11.560718 9.555107 10.390372 0.000000 4.866114 3.861309 4.483666 4.814029 6.017433 6.765273 2.457853 4.382055 8.103295 9.044950 1.411754 4.754048 2.824659 5.104742 10.408872 0.000000 4.238674 3.855013 5.044808 6.403151 7.590548 8.943648 4.426523 2.462633 10.165243 11.505994 4.683597 1.409490 5.299195 2.822138 12.737323 5.719952 0.000000 4.114980 3.874874 4.721056 4.571272 5.973284 6.399251 2.454093 4.862762 7.903849 8.623345 2.818206 5.000443 1.414105 6.029626 10.125526 2.442237 6.230528 0.000000 4.783040 3.903187 4.367601 5.908582 6.700629 8.210123 4.802213 2.460904 9.174772 10.646950 4.775123 2.817846 6.069820 1.415379 11.689089 6.016787 2.441955 7.086848 0.000000 5.017913 4.383430 5.114093 5.127628 6.413132 6.914750 2.844094 5.146585 8.334771 9.096450 2.449743 5.344856 2.453884 6.107227 10.538271 1.414949 6.422316 1.413340 7.072427 0.000000 5.027029 4.394902 5.243088 6.736304 7.716752 9.175527 5.132518 2.850619 10.253177 11.681158 5.176754 2.448898 6.227342 2.452239 12.801636 6.293003 1.416107 7.179548 1.411700 7.216531 0.000000 3.434682 2.187362 1.108147 2.170815 2.836475 4.251451 2.806891 2.837382 5.307677 6.697038 2.953228 4.214558 3.994278 2.826691 7.844296 4.188757 5.222544 4.979575 4.185660 5.065088 5.216800 0.000000 2.743557 2.180106 1.110781 2.178580 2.739708 4.207452 3.495788 2.778931 5.208873 6.634731 4.199498 4.076533 4.457670 2.851832 7.746422 5.526643 5.077895 5.727162 4.161739 6.181790 5.118351 1.781953 0.000000 2.568612 2.779279 2.174353 1.107474 2.184623 2.828852 3.307354 4.218642 4.261359 5.298840 4.385263 5.182656 3.432036 4.952291 6.695795 5.316444 6.506105 4.564930 6.328270 5.396850 7.002159 3.082086 2.573596 0.000000 3.427332 2.893854 2.180098 1.107391 2.179855 2.794286 2.756641 4.327212 4.247315 5.267254 3.351688 5.394640 3.048447 4.949317 6.678501 4.064392 6.702884 3.821343 6.353790 4.271641 7.118196 2.482066 3.092620 1.774105 0.000000 4.987524 4.278314 2.781768 2.184501 1.110831 2.178914 4.746185 5.280992 2.817800 4.255252 5.011685 6.639387 5.454541 5.242727 5.283248 5.898088 7.717259 6.282767 6.557238 6.483574 7.687685 2.601780 3.012815 3.101014 2.550656 0.000000 4.452644 4.223268 2.806469 2.182790 1.110847 2.179742 5.095737 5.226374 2.802542 4.250371 5.769025 6.497987 5.674123 5.291256 5.268322 6.828319 7.582576 6.752211 6.581053 7.270903 7.624148 3.214118 2.521891 2.529296 3.096503 1.776901 0.000000 5.623760 5.331575 4.234291 2.811601 2.178926 1.110031 5.319687 6.720744 2.180588 2.808511 5.773848 7.872865 5.388704 7.120995 4.250558 6.247185 9.156225 5.897827 8.522383 6.308018 9.449467 4.403810 4.741091 3.170606 2.571777 2.526327 3.094613 0.000000 5.135884 5.271837 4.241209 2.794924 2.179435 1.110155 5.613117 6.666225 2.180343 2.815187 6.424738 7.739332 5.584064 7.151190 4.251708 7.112114 9.030679 6.367442 8.536288 7.090072 9.390039 4.785509 4.441622 2.591339 3.093547 3.094427 2.541926 1.775397 0.000000 7.161026 6.715505 5.260525 4.257097 2.810194 2.181469 7.076859 7.820007 1.110452 2.179462 7.368313 9.151223 7.499701 7.786058 2.804804 8.029571 10.262184 8.155391 9.069008 8.405454 10.231135 5.188690 5.354186 4.799784 4.459222 2.588281 3.117086 2.540415 3.096820 0.000000 6.788273 6.673398 5.272831 4.250017 2.816995 2.181199 7.303239 7.780135 1.110433 2.179702 7.892664 9.042688 7.642054 7.822672 2.800521 8.721850 10.157419 8.500697 9.091689 9.007552 10.184946 5.524082 5.099492 4.440458 4.781066 3.153589 2.579089 3.096747 2.533747 1.776149 0.000000 8.042533 7.861157 6.668507 5.279016 4.249882 2.810474 7.895307 9.220016 2.178010 1.109236 8.301037 10.402578 7.874517 9.509413 2.182197 8.661363 11.668760 8.258832 10.884085 8.643314 11.892960 6.789504 6.981609 5.489446 5.151050 4.436858 4.781085 2.579509 3.141260 2.530872 3.093271 0.000000 7.707738 7.820916 6.674930 5.268943 4.251851 2.806090 8.093334 9.182727 2.178246 1.109298 8.764625 10.303205 8.003496 9.537122 2.182121 9.300845 11.573224 8.592594 10.901067 9.222948 11.850691 7.046346 6.786149 5.173108 5.426545 4.787180 4.448197 3.122992 2.581927 3.093296 2.535376 1.774468 0.000000 0.990995 2.021823 2.709886 3.375772 4.530728 5.609605 3.275405 2.548395 6.868841 8.052264 4.508199 3.001327 3.693957 3.518496 9.332452 5.720257 4.157981 5.103002 4.548635 5.971448 4.817004 3.698664 2.558558 2.930341 4.048941 5.174342 4.373379 6.049302 5.365065 7.309344 6.758834 8.364125 7.883717 0.000000 4.155226 2.749187 3.174334 4.105430 5.170496 6.325393 2.180850 2.809439 7.532661 8.753817 1.096852 3.582801 3.437085 3.110066 9.997953 2.174283 4.417566 3.914842 4.044602 3.440752 4.618462 2.620298 4.017880 4.801610 3.791016 4.905360 5.746856 6.111747 6.792924 7.362105 7.942347 8.595866 9.093537 4.735708 0.000000 2.658560 2.701271 4.221939 5.216875 6.631511 7.760666 2.962382 2.171406 9.146749 10.324595 3.703885 1.095338 3.412589 3.427801 11.686546 4.639735 2.179401 4.406373 3.913153 4.943437 3.444186 4.697556 4.535458 5.092575 5.376406 6.976374 6.781177 7.872874 7.681855 9.404793 9.250066 10.407922 10.263509 2.953671 3.961584 0.000000 2.281898 2.766834 3.710976 3.547501 5.047004 5.576093 2.165318 3.966256 7.114246 7.931138 3.427581 4.139304 1.092964 5.278310 9.435593 3.917547 5.515025 2.186424 6.418369 3.448427 6.523768 4.421354 4.464117 3.107858 3.282669 5.661048 5.553139 5.430356 5.288929 7.572470 7.471742 7.831135 7.726895 3.233769 4.333276 3.465581 0.000000 3.992449 2.845835 2.579779 4.076106 4.648783 6.177762 3.887612 2.185131 7.066455 8.553018 3.928115 3.439355 5.237544 1.094515 9.563709 5.284637 3.916492 6.319386 2.167933 6.346445 3.435033 2.210194 2.378297 4.701441 4.588555 4.412648 4.580658 6.511164 6.624344 6.911296 7.027980 8.790922 8.881317 3.857966 3.197917 4.341237 5.602328 0.000000 10.031460 9.955298 8.654873 7.357276 6.100077 4.781603 10.201756 11.234423 3.540689 2.205179 10.664069 12.458142 10.231284 11.389402 1.105708 11.124004 13.671435 10.715450 12.709066 11.151044 13.792547 8.804029 8.726531 7.478562 7.452350 6.270489 6.260913 4.937957 4.942158 3.820697 3.818151 2.530766 2.531224 10.182233 10.868504 12.522729 10.082498 10.589520 0.000000 9.571440 9.263111 7.840471 6.724758 5.317176 4.285290 9.563565 10.413885 2.843171 2.198105 9.862701 11.726130 9.823281 10.384803 1.106569 10.386656 12.855835 10.354806 11.648678 10.626494 12.826021 7.805692 7.886014 7.086361 6.851482 5.206267 5.482274 4.477753 4.816981 2.618083 3.160683 2.548627 3.108429 9.699083 9.909431 11.928290 9.818864 9.492150 1.787364 0.000000 9.290555 9.229310 7.846614 6.717290 5.319403 4.282782 9.729109 10.381333 2.843982 2.198141 10.258800 11.638102 9.927839 10.411143 1.106565 10.929236 12.769305 10.624686 11.665500 11.106163 12.787377 8.032196 7.713173 6.843060 7.062589 5.510468 5.193463 4.813602 4.470324 3.168993 2.614389 3.108469 2.547996 9.285869 10.347329 11.802184 9.735579 9.577319 1.787387 1.785643 0.000000 5.855640 4.730549 5.227242 5.623740 6.686513 7.443837 3.447789 5.056870 8.684309 9.627257 2.175269 5.432689 3.920688 5.561434 10.924198 1.096062 6.221639 3.437715 6.335852 2.181179 6.640664 4.736366 6.240303 6.241924 4.861764 6.406719 7.517824 6.874094 7.902381 8.485749 9.341095 9.189897 9.979541 6.661128 2.498669 5.439768 5.013538 5.687320 11.642224 10.801796 11.485593 0.000000 4.902337 4.716728 6.017037 7.302067 8.555099 9.858548 5.131854 3.452424 11.125419 12.428370 5.407276 2.173966 5.809613 3.918097 13.694800 6.287664 1.095973 6.632507 3.436556 6.855213 2.181266 6.247532 6.075961 7.313602 7.556500 8.733122 8.556606 10.046233 9.879101 11.265558 11.123303 12.575080 12.443951 4.844073 5.253158 2.509778 5.969667 5.012463 14.605978 13.849462 13.730382 6.779462 0.000000 4.721696 4.751098 5.586298 5.248946 6.613158 6.840130 3.443686 5.788196 8.347122 8.907953 3.914421 5.816181 2.175652 7.019875 10.435262 3.437409 7.043979 1.096232 8.070477 2.178697 8.087298 5.943716 6.553949 5.072330 4.494626 7.024873 7.392462 6.296850 6.673709 8.692997 8.967738 8.500214 8.772942 5.700578 5.011025 5.086344 2.516701 7.329796 10.934494 10.742964 10.961360 4.346549 7.345138 0.000000 5.723097 4.785532 4.984621 6.516356 7.108538 8.646792 5.700821 3.449468 9.468334 10.979783 5.548048 3.913873 7.023708 2.177358 11.913646 6.763168 3.437425 8.017370 1.096041 7.912545 2.177515 4.654247 4.672792 7.028550 6.997954 6.839538 6.924048 8.997635 9.061126 9.264691 9.337065 11.251713 11.310233 5.431070 4.688697 5.009163 7.402969 2.487521 12.965471 11.795080 11.852208 6.966040 4.345565 9.030614 0.000000 6.078298 5.479368 6.169303 6.093964 7.308097 7.680377 3.940073 6.207023 9.061502 9.708863 3.443690 6.335391 3.447739 7.135497 11.138255 2.182970 7.341469 2.182483 8.045022 1.095980 8.142802 6.068873 7.249503 6.360758 5.165013 7.340935 8.219701 6.968154 7.863340 9.106081 9.807555 9.155214 9.845901 7.041338 4.346130 5.897577 4.356947 7.368588 11.683644 11.204601 11.779273 2.516130 7.697914 2.514281 8.861580 0.000000 6.082383 5.490613 6.309123 7.814502 8.751054 10.227777 6.190042 3.946456 11.265286 12.712790 6.154051 3.442775 7.262920 3.446159 13.798198 7.194701 2.184451 8.160632 2.180226 8.138665 1.095837 6.237166 6.133773 8.084709 8.201863 8.684321 8.619448 10.515454 10.455099 11.212691 11.165204 12.940453 12.897032 5.827178 5.551129 4.351855 7.563142 4.338268 14.804182 13.797533 13.757383 7.452374 2.516665 9.055072 2.512146 9.016917 0.000000 C20H26O 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 0 256.21339999999987 AuxInfo=1/0/N:15,10,9,6,5,20,21,16,18,17,19,4,11,13,12,14,3,7,8,2,1/E:(6,7)(8,9,10,11)(13,14,15,16)(18,19)/CRV:6.3,7.3,8.3,9.3,10.3,11.3,13.3,14.3,15.3,16.3,18.3,19.3/rA:47OCCCCCC3C3CCC3C3C3C3CC3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s2;s3;s4;s5;s2;s2;s6;s9;s7;s8;s7;s8;s10;s11;s12;s13;s14;s16s18;s17s19;s3;s3;s4;s4;s5;s5;s6;s6;s9;s9;s10;s10;s1;s11;s12;s13;s14;s15;s15;s15;s16;s17;s18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4245502 0.1316015 0.1104241 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= 15931 NPrTT= 79920 LenC2= 13348 LenP2D= 41403. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 262 RedAO= T EigKep= 7.96D-04 NBF= 262 NBsUse= 262 1.00D-06 EigRej= -1.00D+00 NBFU= 262 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= 247 247 247 247 248 MxSgAt= 47 MxSgA2= 47. 1 Closed 1 0 1 -851.356230831298 -851.494014339343 -0.137783508045 -851.761216653810 -0.267202314467 -851.772282377205 -0.011065723395 -851.781637202830 -0.009354825625 -851.782660787732 -0.001023584902 -851.782713521281 -0.000052733549 -851.782718669651 -0.000005148370 -851.782937944061 -0.000219274410 -851.782938183230 -0.000000239169 -851.782938172051 0.000000011179 -851.782938352544 -0.000000180493 -851.782938357985 -0.000000005441 -851.782938358076 -0.000000000091 -851.782938358110 -0.000000000033 -851.782938358 15 8.471187076097e+02 -5.119291880270e+03 1.850108633213e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=602846107. IVT= 228684 IEndB= 228684 NGot= 4160749568 MDV= 3566999054 LenX= 3566999054 LenY= 3566929969 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 34453 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 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= 4160748832 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=602631192. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 34453 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 144 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 141 vectors produced by pass 0 Test12= 1.42D-14 1.00D-09 XBig12= 3.38D+02 7.77D+00. AX will form 141 AO Fock derivatives at one time. 141 vectors produced by pass 1 Test12= 1.42D-14 1.00D-09 XBig12= 7.63D+01 2.19D+00. 141 vectors produced by pass 2 Test12= 1.42D-14 1.00D-09 XBig12= 2.32D-01 4.54D-02. 141 vectors produced by pass 3 Test12= 1.42D-14 1.00D-09 XBig12= 3.95D-05 6.40D-04. 72 vectors produced by pass 4 Test12= 1.42D-14 1.00D-09 XBig12= 1.28D-08 1.45D-05. 4 vectors produced by pass 5 Test12= 1.42D-14 1.00D-09 XBig12= 1.40D-12 1.02D-07. 3 vectors produced by pass 6 Test12= 1.42D-14 1.00D-09 XBig12= 8.35D-16 2.13D-09. InvSVY: IOpt=1 It= 1 EMax= 3.55D-14 Solved reduced A of dimension 643 with 144 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 212.25 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 232.398 -15.981 225.890 -5.915 14.900 178.459 331.508 -23.574 400.376 -15.482 50.261 368.204 (Enter /mnt/data/applications/G09/g09/l716.exe) PT3232.100S 2017-06-16T17:30:42.000+02:00 -18.75957 -9.96772 -9.91541 -9.90852 -9.90831 -9.90792 -9.90756 -9.90673 -9.90289 -9.90046 -9.89944 -9.89881 -9.89850 -9.89484 -9.89286 -9.88378 -9.88317 -9.88131 -9.88096 -9.87979 -9.87595 -0.92918 -0.78061 -0.76890 -0.72840 -0.71443 -0.69162 -0.67576 -0.67051 -0.66592 -0.65612 -0.61671 -0.58273 -0.55421 -0.54352 -0.53531 -0.53314 -0.51053 -0.50713 -0.50204 -0.46892 -0.45432 -0.43498 -0.42236 -0.40952 -0.40897 -0.39764 -0.39140 -0.38586 -0.38202 -0.37690 -0.37343 -0.36898 -0.36477 -0.35854 -0.35217 -0.32883 -0.32632 -0.32228 -0.31824 -0.31490 -0.30949 -0.30262 -0.29941 -0.29331 -0.28960 -0.28550 -0.27504 -0.27241 -0.26812 -0.26559 -0.26011 -0.23875 -0.22799 -0.21815 -0.21400 -0.20947 -0.04513 -0.04006 -0.03225 -0.02665 0.04927 0.08290 0.08567 0.08971 0.09476 0.09766 0.10127 0.10642 0.11204 0.12104 0.12517 0.13156 0.13623 0.13851 0.14215 0.14619 0.14752 0.15250 0.15481 0.15782 0.15921 0.16837 0.17217 0.17450 0.18242 0.18490 0.18840 0.19371 0.19589 0.20227 0.20366 0.21132 0.21474 0.21716 0.22277 0.23236 0.23631 0.24028 0.24557 0.24864 0.25594 0.26417 0.26987 0.27382 0.27621 0.28187 0.28305 0.28514 0.29378 0.29735 0.30390 0.30998 0.31318 0.32470 0.32722 0.32953 0.34287 0.34693 0.35234 0.35465 0.35721 0.36458 0.36643 0.36896 0.37164 0.37229 0.37866 0.38682 0.39562 0.39729 0.40835 0.41166 0.41424 0.42618 0.42686 0.43025 0.43582 0.43930 0.44441 0.46213 0.46296 0.46775 0.47542 0.48273 0.48903 0.49931 0.51115 0.51525 0.51830 0.52728 0.54121 0.55992 0.56809 0.57218 0.57846 0.59572 0.60623 0.61449 0.62507 0.62902 0.64375 0.64599 0.64860 0.67785 0.67985 0.70285 0.71290 0.73060 0.75279 0.77087 0.81639 0.83432 0.85486 0.87995 0.88770 0.90615 0.91649 0.92107 0.93329 0.93847 0.95885 0.96936 0.97505 0.97808 0.99037 0.99381 0.99919 1.01693 1.03060 1.04463 1.05605 1.06565 1.07413 1.07571 1.08784 1.10727 1.10972 1.12414 1.13349 1.14211 1.15856 1.16529 1.18248 1.18983 1.19424 1.20035 1.21882 1.25356 1.27907 1.29563 1.30196 1.32198 1.33971 1.38863 1.43654 1.45769 1.50445 1.51802 1.58410 1.79512 22.31413 22.39063 22.51348 22.55281 22.55874 22.56723 22.57545 22.58307 22.61597 22.64361 22.65098 22.66648 22.68142 22.68570 22.69336 22.70065 22.71050 22.73988 22.78124 22.79343 41.56889 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 C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.466946 0.022069 -0.493821 -0.374072 -0.377121 -0.376139 0.387978 0.368693 -0.353645 -0.357309 -0.389703 -0.363286 -0.402195 -0.429354 -0.697156 -0.237708 -0.230380 -0.227542 -0.245611 -0.246337 -0.242681 0.204583 0.205689 0.210130 0.218382 0.187520 0.188047 0.193597 0.191402 0.187059 0.186493 0.195768 0.195078 0.342214 0.239501 0.266802 0.286054 0.249427 0.215154 0.209460 0.209243 0.222820 0.226334 0.223004 0.224571 0.225202 0.228732 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 O C C C C C C C C C C C C C C C C C C C C -0.124732 0.022069 -0.083550 0.054440 -0.001554 0.008861 0.387978 0.368693 0.019907 0.033537 -0.150202 -0.096484 -0.116141 -0.179927 -0.063298 -0.014889 -0.004047 -0.004538 -0.021040 -0.021135 -0.013949 0.00000 5.19405806e-02 -5.50550452e-01 -2.64005060e-01 2.32398329e+02 -1.59811281e+01 2.25889549e+02 -5.91517048e+00 1.49003315e+01 1.78459421e+02 -9.9664 -0.0005 0.0005 0.0008 0.9558 5.5488 17.9273 30.9412 34.5413 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 17.0425 30.7422 34.4925 38.2901 44.0117 59.5800 69.8633 94.8813 108.0295 125.6216 139.6680 168.9778 180.5724 208.2374 220.7949 233.3184 254.8128 284.8514 290.7101 318.6716 343.4014 360.9888 400.3042 403.2375 404.3872 438.1656 471.9684 499.1146 544.0482 601.4873 615.9496 616.5907 637.9597 703.1798 705.3808 709.5687 721.2675 735.0488 762.5576 766.4410 781.5943 815.9659 854.3910 859.9514 864.9655 887.3081 899.9118 922.4637 933.9563 945.7949 980.4898 982.3958 988.8576 990.6466 994.3517 997.8463 999.3248 1004.4355 1023.5696 1026.7615 1034.5573 1042.5393 1061.2723 1079.5391 1080.7670 1081.9331 1101.7352 1117.9110 1123.6685 1152.3730 1170.8954 1172.0486 1188.2846 1189.6061 1189.8006 1196.4964 1223.5166 1234.1418 1264.5799 1273.4806 1282.4908 1291.1076 1294.8366 1309.7794 1312.9977 1317.9295 1337.2397 1347.4213 1354.4530 1358.4752 1380.1821 1381.3052 1387.1120 1433.1705 1434.1555 1453.2008 1460.7606 1461.3342 1467.9569 1475.9169 1477.3254 1480.0463 1481.0700 1484.0906 1488.1020 1589.1007 1591.4431 1608.9396 1612.7963 2944.6393 2949.8537 2956.4323 2957.6390 2967.3751 2970.9066 2983.1279 2985.2744 2992.3333 3011.5449 3015.6103 3033.3531 3054.3573 3067.6402 3069.7853 3117.0436 3122.7680 3125.7341 3132.0119 3139.3240 3146.9430 3154.5486 3157.3311 3165.6503 3178.7307 3561.5116 2.8755 2.5090 4.1047 2.5697 3.9572 4.2996 3.3207 2.0740 2.7307 2.6712 2.1185 4.2657 2.7265 4.3999 3.8885 1.1151 3.9527 3.5785 1.3737 3.3530 3.0333 3.4949 3.3622 3.1309 2.8697 3.8619 3.0569 3.3814 3.9849 3.7421 6.3851 6.3792 5.3792 4.1277 1.6823 1.8481 1.0645 1.0924 1.4860 1.4731 2.0209 1.4548 1.2946 1.2498 1.9902 1.8939 1.9981 1.4729 1.4883 1.8035 1.3808 1.4046 5.3894 5.7416 2.9962 1.3907 1.3285 1.3894 2.8784 2.2794 2.7652 2.8880 2.6210 2.0868 1.5663 2.2635 1.9696 1.9093 1.9952 1.8949 1.0546 1.0528 1.1804 1.4791 1.3664 2.3109 1.3759 1.3981 1.3305 1.2905 1.0377 1.2231 1.0889 1.3335 1.3421 1.3508 1.4884 1.5372 1.6859 1.6265 6.8519 8.5961 1.2176 2.2115 2.2278 1.0939 1.0690 1.0742 1.0759 1.0877 1.0432 2.2158 2.0461 1.1198 1.0926 6.0668 6.3226 6.0346 6.0540 1.0589 1.0588 1.0600 1.0594 1.0585 1.0366 1.0971 1.0592 1.1001 1.1006 1.1011 1.1046 1.1040 1.1007 1.0992 1.0853 1.0846 1.0879 1.0881 1.0937 1.0923 1.0951 1.0991 1.1009 1.0950 1.0658 0.0005 0.0014 0.0029 0.0022 0.0045 0.0090 0.0095 0.0110 0.0188 0.0248 0.0243 0.0718 0.0524 0.1124 0.1117 0.0358 0.1512 0.1711 0.0684 0.2006 0.2107 0.2683 0.3174 0.2999 0.2765 0.4368 0.4012 0.4963 0.6949 0.7977 1.4273 1.4289 1.2899 1.2025 0.4932 0.5482 0.3263 0.3477 0.5091 0.5098 0.7274 0.5707 0.5568 0.5445 0.8773 0.8785 0.9534 0.7384 0.7649 0.9505 0.7821 0.7987 3.1050 3.3199 1.7455 0.8158 0.7816 0.8259 1.7768 1.4158 1.7438 1.8494 1.7393 1.4329 1.0780 1.5611 1.4086 1.4059 1.4843 1.4826 0.8519 0.8521 0.9820 1.2332 1.1396 1.9492 1.2136 1.2547 1.2536 1.2331 1.0056 1.2013 1.0756 1.3478 1.3632 1.3824 1.5681 1.6443 1.8223 1.7685 7.6901 9.6634 1.3803 2.6763 2.6998 1.3610 1.3440 1.3515 1.3659 1.3960 1.3414 2.8597 2.6445 1.4532 1.4256 9.0263 9.4347 9.2040 9.2780 5.4097 5.4284 5.4589 5.4601 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