Gaussian 09 GINC-KIMIK2034 CBGUSER 000238387 EM64L-G09RevD.01 11-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 262.19809999999984 0 1 AuxInfo=1/0/N:14,16,13,10,12,11,9,19,18,17,7,6,15,5,20,21,8,4,3,2,1/CRV:8.3,9.3,10.3,13.3,15.3,16.3/rA:46OONCCCCCCCCCCCC3CC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s1s4;s4;s5;s7s9;s8s10;s6;s4;s7;s13;s15s16;s15;s17;s3s18;s2s19s20;s5;s6;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s16;s16;s1;s18;s19;s3;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-3592.inp" -scrdir="/scratch/" chk=000238387.chk nprocshared=4 mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000238387 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 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 13 14 14 14 15 15 16 16 16 17 18 18 19 19 20 8 41 21 46 20 44 45 5 8 9 14 6 10 22 7 13 23 11 15 24 12 25 11 26 27 12 28 29 30 31 32 33 16 34 35 36 37 38 17 18 17 39 40 19 20 42 21 43 21 1.4362 0.974 1.3675 1.0055 1.4515 1.019 1.0191 1.5645 1.5609 1.538 1.5331 1.5322 1.5388 1.121 1.5581 1.5348 1.1162 1.5465 1.5147 1.1226 1.5514 1.1078 1.5394 1.1048 1.1065 1.5471 1.1004 1.1029 1.1085 1.1068 1.1036 1.0996 1.5321 1.1057 1.1065 1.1001 1.094 1.0947 1.4146 1.4007 1.5054 1.1125 1.1101 1.3999 1.3993 1.0911 1.4004 1.0883 1.413 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 8 21 20 20 44 5 5 5 8 8 9 4 4 4 6 6 10 5 5 5 7 7 13 6 6 6 11 11 15 1 1 1 4 4 12 4 4 4 11 11 26 5 5 5 12 12 28 7 7 7 9 9 30 8 8 8 10 10 32 6 6 6 16 16 34 4 4 4 36 36 37 7 7 17 13 13 13 17 17 39 15 15 16 15 15 20 17 17 21 3 3 18 2 2 19 1 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 41 46 44 45 45 8 9 14 9 14 14 6 10 22 10 22 22 7 13 23 13 23 23 11 15 24 15 24 24 4 12 25 12 25 25 11 26 27 26 27 27 12 28 29 28 29 29 9 30 31 30 31 31 10 32 33 32 33 33 16 34 35 34 35 35 36 37 38 37 38 38 17 18 18 17 39 40 39 40 40 16 19 19 20 42 42 21 43 43 18 21 21 19 20 20 110.3492 110.6391 110.5467 110.5158 107.3177 99.9201 107.723 114.212 115.4257 109.0472 110.2907 110.1147 104.0263 108.2181 119.8124 107.3608 106.8225 107.2831 112.8282 109.7952 109.0696 109.1759 108.6306 110.7268 110.9573 107.9358 112.8351 107.6958 106.4238 108.0305 111.5791 107.6406 105.2139 112.3485 112.0091 110.2083 110.6741 110.021 110.1491 109.8634 105.8387 104.3787 111.8586 111.3809 111.7129 111.0268 106.5872 113.1801 109.2439 109.6865 109.4696 108.9717 106.0403 106.7266 109.9414 111.3689 110.7538 111.3021 106.7919 109.8513 110.4697 110.481 109.849 110.2062 105.9195 109.9789 112.2434 111.7628 108.1021 106.4824 108.0358 120.8853 119.8888 119.1519 113.9194 109.6169 109.4285 108.225 109.8521 105.449 122.5424 120.2326 117.2174 121.414 119.5978 118.9881 119.706 121.5075 118.7865 124.7977 116.6057 118.5965 116.4265 122.682 120.8913 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 41 41 41 46 46 44 44 45 45 8 8 8 9 9 9 14 14 14 5 5 5 9 9 9 14 14 14 5 5 5 8 8 8 14 14 14 5 5 5 8 8 8 9 9 9 4 4 4 10 10 10 22 22 22 4 4 4 6 6 6 22 22 22 5 5 5 13 13 13 23 23 23 5 5 5 7 7 7 23 23 23 6 6 6 15 15 15 24 24 24 6 6 11 11 24 24 1 1 1 4 4 4 25 25 25 4 4 4 26 26 26 27 27 27 5 5 5 28 28 28 29 29 29 6 6 6 34 34 34 35 35 35 7 7 18 18 7 7 17 17 13 13 39 39 40 40 15 15 16 16 15 15 42 42 17 17 43 43 3 3 18 18 1 1 1 2 2 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 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 13 13 13 13 13 13 13 13 13 15 15 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 8 8 8 21 21 20 20 20 20 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 7 7 7 7 7 7 7 7 7 13 13 13 13 13 13 13 13 13 11 11 11 11 11 11 11 11 11 15 15 15 15 15 15 12 12 12 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 17 17 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 21 21 21 21 4 12 25 19 20 18 21 18 21 6 10 22 6 10 22 6 10 22 1 12 25 1 12 25 1 12 25 11 26 27 11 26 27 11 26 27 36 37 38 36 37 38 36 37 38 7 13 23 7 13 23 7 13 23 12 28 29 12 28 29 12 28 29 11 15 24 11 15 24 11 15 24 16 34 35 16 34 35 16 34 35 9 30 31 9 30 31 9 30 31 17 18 17 18 17 18 10 32 33 10 32 33 10 32 33 7 30 31 7 30 31 7 30 31 8 32 33 8 32 33 8 32 33 17 39 40 17 39 40 17 39 40 16 19 16 19 20 42 20 42 15 19 15 19 15 19 21 43 21 43 3 21 3 21 2 20 2 20 2 19 2 19 177.5682 62.3847 -60.8902 -179.8001 0.043 59.0365 -120.8382 -59.6277 120.4976 174.0035 44.4187 -68.9263 -65.1016 165.3137 51.9686 57.7785 -71.8062 174.8487 -156.4204 -37.1224 84.9987 88.4088 -152.2932 -30.1721 -36.3652 82.9328 -154.9461 57.8764 -64.2118 179.1739 168.4971 46.4089 -70.2054 -67.3769 170.5349 53.9207 169.5583 -70.0523 51.5113 58.76 179.1494 -59.287 -68.9676 51.4218 172.9855 64.0814 -175.7719 -54.4469 -175.4322 -55.2855 66.0394 -53.5209 66.6258 -172.0492 -34.8066 -155.7603 85.0711 -158.2889 80.7574 -38.4112 79.5353 -41.4184 -160.587 -57.2665 176.629 60.3842 -179.7776 54.1179 -62.1269 61.6617 -64.4428 179.3124 176.0152 54.6768 -62.1921 -64.8693 173.7923 56.9234 54.032 -67.3064 175.8247 53.6604 -68.5829 175.585 178.7097 56.4665 -59.3656 -64.1372 173.6196 57.7875 -23.872 159.2828 -148.796 34.3588 93.3019 -83.5433 133.7576 13.5827 -104.5794 16.8532 -103.3217 138.5162 -105.4873 134.3378 16.1757 -54.1043 68.0129 -176.4283 68.2936 -169.5891 -54.0304 -175.4958 -53.3786 62.1802 11.0066 130.6578 -110.6987 132.0572 -108.2916 10.3519 -109.1092 10.542 129.1855 43.4806 -77.939 166.8734 165.1905 43.7709 -71.4167 -78.476 160.1044 44.9168 3.1972 -177.8299 -179.9347 -0.9619 177.9179 -1.9607 1.018 -178.8606 -12.9884 168.0095 109.2006 -69.8015 -136.1508 44.8471 0.3547 -179.6982 179.381 -0.6718 179.6732 -0.4544 -0.4475 179.4248 -179.9351 0.2187 0.1162 -179.7299 -0.1271 179.7091 179.9901 -0.1736 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 276 276 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 15576 NPrTT= 78331 LenC2= 13820 LenP2D= 44375. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 260 RedAO= T EigKep= 2.74D-04 NBF= 260 NBsUse= 260 1.00D-06 EigRej= -1.00D+00 NBFU= 260 Using GEDIIS/GDIIS optimizer. local minimum Step number 8 out of a maximum of 276 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00141 0.00262 0.00439 0.00474 0.00581 0.00845 0.00992 0.01075 0.01203 0.01221 0.01534 0.01558 0.01648 0.01743 0.02033 0.02041 0.02086 0.02088 0.02089 0.02252 0.02445 0.03000 0.03296 0.03496 0.03611 0.03741 0.03856 0.03982 0.04290 0.04439 0.04553 0.04700 0.04829 0.04993 0.04996 0.05066 0.05257 0.05329 0.05359 0.05487 0.05533 0.05585 0.05648 0.05691 0.05831 0.05906 0.06234 0.06902 0.07034 0.07203 0.07334 0.07903 0.07962 0.08118 0.08338 0.08467 0.09573 0.09937 0.11140 0.11566 0.11921 0.13166 0.13786 0.15112 0.15387 0.15925 0.15990 0.16001 0.16006 0.16030 0.16043 0.16143 0.16284 0.17016 0.18357 0.18856 0.19396 0.20762 0.21231 0.22986 0.23513 0.24024 0.24523 0.25006 0.25271 0.25793 0.26158 0.26898 0.27349 0.27693 0.27880 0.28276 0.28535 0.28837 0.29009 0.29271 0.30993 0.31300 0.31558 0.31943 0.32326 0.32477 0.32581 0.32814 0.32868 0.32970 0.33022 0.33061 0.33118 0.33163 0.33359 0.33502 0.33673 0.33714 0.34118 0.34291 0.34621 0.34869 0.34989 0.37840 0.39226 0.40691 0.41704 0.43081 0.43273 0.44529 0.44953 0.45608 0.45724 0.48094 0.51030 0.52805 RFO step: Lambda=-3.63398908D-07. 1 2 3 0.00154485 0.00000132 0.00000000 0.00000106 0.00000019 0.00000019 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 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 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 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 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 2.77816 1.87008 2.63080 1.91500 2.75456 1.93834 1.93852 2.95306 2.93074 2.92226 2.93313 2.90637 2.93543 2.10865 2.95233 2.91670 2.10012 2.94399 2.90824 2.11001 2.95773 2.10551 2.93522 2.09985 2.09199 2.96610 2.08719 2.09102 2.09295 2.09142 2.08993 2.08917 2.91273 2.09147 2.09729 2.08474 2.08471 2.08675 2.70316 2.68442 2.88731 2.09854 2.09201 2.67646 2.65954 2.07060 2.65765 2.07007 2.68856 1.90152 1.79953 2.00565 2.00581 1.94985 1.73340 1.89160 1.98199 2.01457 1.90803 1.92870 1.96046 1.81896 1.85476 2.09448 1.85678 1.86409 1.89220 1.98429 1.90218 1.90588 1.90017 1.87774 1.95093 1.94760 1.83887 1.99146 1.85279 1.87096 1.93601 1.99175 1.90534 1.82394 1.89276 1.91075 1.94648 1.90093 1.92928 1.90186 1.91790 1.86532 1.81452 1.95288 1.93377 1.95755 1.93785 1.86872 1.97002 1.90608 1.91826 1.92648 1.88467 1.85474 1.84567 1.89640 1.95122 1.93867 1.95462 1.87735 1.92321 1.92939 1.90517 1.91254 1.92401 1.86884 1.90620 1.95459 1.95705 1.89218 1.87216 1.87878 2.11372 2.10831 2.06017 1.97946 1.89838 1.92923 1.89300 1.90965 1.84917 2.12577 2.10082 2.05645 2.12531 2.09524 2.06263 2.10371 2.10240 2.07707 2.20265 1.99648 2.08405 2.12927 2.06159 2.09231 -3.12554 1.10325 -1.04085 -3.13543 0.00109 1.13208 -2.00675 -1.16725 1.97710 3.10269 0.80877 -1.15684 -1.07102 2.91824 0.95263 1.07927 -1.21466 3.10292 -2.89682 -0.74271 1.29415 1.36907 -2.76000 -0.72315 -0.81767 1.33644 -2.90988 0.97103 -1.12860 3.11021 2.89604 0.79642 -1.24796 -1.21110 2.97246 0.92808 3.00544 -1.18158 0.93273 1.08767 -3.09934 -0.98503 -1.14793 0.94824 3.06255 1.05591 -3.10424 -1.00994 -3.08157 -0.95854 1.13576 -0.96652 1.15651 -3.03238 -0.56089 -2.67713 1.52201 -2.77375 1.39320 -0.69085 1.39801 -0.71823 -2.80228 -0.95345 3.07604 1.05136 -3.12392 0.90557 -1.11911 1.11368 -1.14002 3.11849 3.02747 0.91080 -1.14047 -1.14031 3.02620 0.97493 0.91940 -1.19727 3.03464 0.90946 -1.24039 3.01450 3.13989 0.99004 -1.03826 -1.08678 3.04655 1.01825 -0.38289 2.80737 -2.61503 0.57523 1.62209 -1.47084 2.53251 0.45009 -1.61914 0.41485 -1.66757 2.54639 -1.60952 2.59124 0.52201 -0.92242 1.21607 -3.04652 1.17667 -2.96803 -0.94744 -3.06811 -0.92963 1.09097 0.09025 2.14455 -2.03910 2.20337 -2.02552 0.07402 -1.98986 0.06443 2.16397 0.80856 -1.29930 2.96057 2.93525 0.82739 -1.19592 -1.29540 2.87992 0.85661 0.06511 -3.09484 -3.12384 -0.00061 3.09652 -0.04319 0.00214 -3.13758 -0.27703 2.88247 1.83386 -1.28982 -2.43975 0.71975 -0.00125 3.13747 3.12270 -0.02176 -3.14049 -0.00179 -0.00074 3.13796 3.13806 0.00163 -0.00070 -3.13714 0.00228 3.13891 -3.13676 -0.00013 0.00012 0.00010 0.00006 0.00000 0.00007 -0.00006 -0.00003 -0.00006 -0.00001 0.00000 -0.00004 -0.00001 0.00001 0.00007 -0.00002 -0.00002 0.00005 -0.00003 -0.00006 0.00001 0.00003 -0.00001 -0.00001 0.00001 -0.00004 0.00002 -0.00006 0.00002 0.00000 0.00000 -0.00005 0.00003 0.00001 -0.00001 -0.00002 -0.00001 0.00003 0.00001 0.00005 -0.00008 0.00001 -0.00001 -0.00001 -0.00011 -0.00003 -0.00001 -0.00001 0.00000 0.00007 -0.00003 -0.00011 0.00001 0.00000 0.00000 0.00002 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00002 0.00000 -0.00001 0.00001 0.00001 -0.00002 -0.00001 0.00001 0.00000 0.00000 0.00002 0.00000 -0.00003 0.00001 0.00000 0.00003 -0.00002 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00002 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0.00004 0.00025 -0.00004 0.00010 -0.00022 0.00012 -0.00016 -0.00018 0.00019 0.00006 -0.00004 0.00014 -0.00013 -0.00006 0.00019 -0.00005 0.00002 0.00004 0.00000 0.00006 -0.00005 -0.00009 0.00013 -0.00004 -0.00011 0.00007 0.00004 0.00083 0.00058 0.00076 0.00194 0.00158 -0.00135 -0.00141 -0.00100 -0.00106 0.00035 0.00029 0.00048 0.00016 0.00010 0.00029 0.00017 0.00010 0.00030 -0.00048 -0.00023 -0.00055 -0.00051 -0.00027 -0.00058 -0.00055 -0.00031 -0.00062 -0.00036 -0.00031 -0.00041 -0.00043 -0.00038 -0.00048 -0.00028 -0.00024 -0.00033 -0.00292 -0.00305 -0.00323 -0.00294 -0.00308 -0.00325 -0.00286 -0.00299 -0.00317 0.00046 0.00086 0.00080 0.00032 0.00071 0.00065 0.00046 0.00085 0.00079 -0.00031 -0.00046 -0.00037 -0.00013 -0.00028 -0.00020 -0.00042 -0.00057 -0.00049 -0.00075 -0.00062 -0.00075 -0.00118 -0.00105 -0.00118 -0.00124 -0.00111 -0.00124 -0.00033 -0.00022 -0.00045 -0.00009 0.00002 -0.00021 -0.00009 0.00002 -0.00021 0.00038 0.00048 0.00041 0.00042 0.00052 0.00045 0.00034 0.00044 0.00037 0.00121 0.00114 0.00140 0.00133 0.00144 0.00137 0.00046 0.00027 0.00025 -0.00001 -0.00020 -0.00022 0.00036 0.00017 0.00015 0.00016 -0.00006 0.00007 0.00013 -0.00010 0.00003 0.00020 -0.00002 0.00011 0.00016 0.00025 0.00047 0.00025 0.00034 0.00056 0.00026 0.00035 0.00057 0.00117 0.00132 0.00115 0.00104 0.00119 0.00102 0.00123 0.00138 0.00121 -0.00007 0.00009 -0.00001 0.00015 0.00002 -0.00018 -0.00005 -0.00025 -0.00118 -0.00133 -0.00147 -0.00162 -0.00129 -0.00144 0.00002 -0.00033 0.00017 -0.00018 -0.00028 -0.00022 -0.00009 -0.00002 -0.00067 -0.00030 -0.00032 0.00005 0.00080 0.00045 0.00075 0.00039 2.77830 1.87022 2.63082 1.91479 2.75478 1.93830 1.93853 2.95281 2.93086 2.92225 2.93301 2.90639 2.93550 2.10878 2.95225 2.91664 2.10022 2.94390 2.90814 2.11002 2.95774 2.10549 2.93523 2.09989 2.09191 2.96615 2.08710 2.09102 2.09297 2.09143 2.08988 2.08923 2.91274 2.09146 2.09726 2.08472 2.08481 2.08679 2.70329 2.68428 2.88731 2.09852 2.09198 2.67628 2.65952 2.07060 2.65767 2.07010 2.68865 1.90147 1.79909 2.00557 2.00569 1.94976 1.73337 1.89171 1.98186 2.01438 1.90825 1.92871 1.96030 1.81883 1.85475 2.09469 1.85696 1.86397 1.89212 1.98457 1.90185 1.90609 1.90009 1.87773 1.95071 1.94783 1.83898 1.99135 1.85283 1.87092 1.93638 1.99179 1.90533 1.82391 1.89252 1.91059 1.94662 1.90088 1.92921 1.90179 1.91782 1.86546 1.81455 1.95290 1.93368 1.95765 1.93782 1.86869 1.96991 1.90593 1.91839 1.92654 1.88469 1.85481 1.84555 1.89645 1.95104 1.93886 1.95460 1.87743 1.92300 1.92938 1.90525 1.91257 1.92398 1.86899 1.90615 1.95435 1.95711 1.89223 1.87241 1.87874 2.11382 2.10810 2.06028 1.97930 1.89820 1.92942 1.89306 1.90961 1.84931 2.12565 2.10076 2.05664 2.12526 2.09526 2.06267 2.10370 2.10246 2.07702 2.20256 1.99660 2.08401 2.12916 2.06166 2.09235 -3.12470 1.10383 -1.04008 -3.13349 0.00267 1.13073 -2.00816 -1.16825 1.97604 3.10305 0.80906 -1.15636 -1.07086 2.91834 0.95293 1.07944 -1.21455 3.10322 -2.89731 -0.74294 1.29360 1.36855 -2.76027 -0.72373 -0.81823 1.33614 -2.91050 0.97067 -1.12891 3.10980 2.89561 0.79603 -1.24844 -1.21138 2.97222 0.92775 3.00252 -1.18463 0.92950 1.08473 -3.10242 -0.98829 -1.15078 0.94525 3.05938 1.05638 -3.10338 -1.00914 -3.08125 -0.95783 1.13641 -0.96607 1.15736 -3.03159 -0.56119 -2.67758 1.52164 -2.77388 1.39292 -0.69104 1.39759 -0.71880 -2.80276 -0.95420 3.07542 1.05061 -3.12511 0.90451 -1.12029 1.11244 -1.14113 3.11725 3.02715 0.91058 -1.14092 -1.14040 3.02622 0.97472 0.91932 -1.19725 3.03444 0.90984 -1.23991 3.01491 3.14032 0.99056 -1.03781 -1.08644 3.04700 1.01863 -0.38168 2.80851 -2.61363 0.57656 1.62352 -1.46947 2.53297 0.45036 -1.61889 0.41484 -1.66777 2.54617 -1.60917 2.59141 0.52216 -0.92225 1.21601 -3.04646 1.17679 -2.96813 -0.94741 -3.06791 -0.92965 1.09108 0.09041 2.14480 -2.03863 2.20362 -2.02518 0.07457 -1.98961 0.06478 2.16453 0.80973 -1.29798 2.96172 2.93630 0.82859 -1.19490 -1.29417 2.88130 0.85782 0.06504 -3.09475 -3.12386 -0.00046 3.09654 -0.04338 0.00209 -3.13783 -0.27821 2.88114 1.83240 -1.29144 -2.44104 0.71831 -0.00122 3.13715 3.12287 -0.02194 -3.14078 -0.00200 -0.00083 3.13794 3.13739 0.00133 -0.00102 -3.13709 0.00308 3.13935 -3.13601 0.00026 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000123 0.000023 0.009103 0.001545 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -6.384810e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 2 3 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 13 13 14 14 14 15 15 16 16 16 17 18 18 19 19 20 8 41 21 46 20 44 45 5 8 9 14 6 10 22 7 13 23 11 15 24 12 25 11 26 27 12 28 29 30 31 32 33 16 34 35 36 37 38 17 18 17 39 40 19 20 42 21 43 21 1.4701 0.9896 1.3922 1.0134 1.4577 1.0257 1.0258 1.5627 1.5509 1.5464 1.5521 1.538 1.5534 1.1158 1.5623 1.5434 1.1113 1.5579 1.539 1.1166 1.5652 1.1142 1.5533 1.1112 1.107 1.5696 1.1045 1.1065 1.1075 1.1067 1.1059 1.1055 1.5414 1.1068 1.1098 1.1032 1.1032 1.1043 1.4304 1.4205 1.5279 1.1105 1.107 1.4163 1.4074 1.0957 1.4064 1.0954 1.4227 -DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001 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 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 8 21 20 20 44 5 5 5 8 8 9 4 4 4 6 6 10 5 5 5 7 7 13 6 6 6 11 11 15 1 1 1 4 4 12 4 4 4 11 11 26 5 5 5 12 12 28 7 7 7 9 9 30 8 8 8 10 10 32 6 6 6 16 16 34 4 4 4 36 36 37 7 7 17 13 13 13 17 17 39 15 15 16 15 15 20 17 17 21 3 3 18 2 2 19 1 2 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 41 46 44 45 45 8 9 14 9 14 14 6 10 22 10 22 22 7 13 23 13 23 23 11 15 24 15 24 24 4 12 25 12 25 25 11 26 27 26 27 27 12 28 29 28 29 29 9 30 31 30 31 31 10 32 33 32 33 33 16 34 35 34 35 35 36 37 38 37 38 38 17 18 18 17 39 40 39 40 40 16 19 19 20 42 42 21 43 43 18 21 21 19 20 20 108.949 103.1056 114.9152 114.9244 111.7184 99.3167 108.3806 113.5594 115.4266 109.3223 110.5063 112.3262 104.2184 106.27 120.0046 106.3856 106.8043 108.415 113.6912 108.9869 109.1991 108.872 107.5867 111.7802 111.589 105.3595 114.102 106.157 107.1981 110.9251 114.1186 109.1679 104.504 108.4473 109.478 111.525 108.9155 110.5393 108.9686 109.8874 106.8749 103.9646 111.8918 110.7967 112.1591 111.0306 107.0698 112.8738 109.2103 109.9083 110.3791 107.9837 106.2688 105.749 108.6558 111.7969 111.0775 111.9915 107.5643 110.1918 110.5459 109.1585 109.5805 110.2375 107.0765 109.2174 111.9899 112.1308 108.4142 107.267 107.646 121.107 120.7975 118.0389 113.4147 108.7694 110.5367 108.461 109.4148 105.9496 121.7977 120.3683 117.826 121.7712 120.0486 118.1801 120.5335 120.4589 119.0074 126.2026 114.3897 119.4075 121.9983 118.1206 119.8804 -DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 41 41 41 46 46 44 44 45 45 8 8 8 9 9 9 14 14 14 5 5 5 9 9 9 14 14 14 5 5 5 8 8 8 14 14 14 5 5 5 8 8 8 9 9 9 4 4 4 10 10 10 22 22 22 4 4 4 6 6 6 22 22 22 5 5 5 13 13 13 23 23 23 5 5 5 7 7 7 23 23 23 6 6 6 15 15 15 24 24 24 6 6 11 11 24 24 1 1 1 4 4 4 25 25 25 4 4 4 26 26 26 27 27 27 5 5 5 28 28 28 29 29 29 6 6 6 34 34 34 35 35 35 7 7 18 18 7 7 17 17 13 13 39 39 40 40 15 15 16 16 15 15 42 42 17 17 43 43 3 3 18 1 1 1 2 2 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 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 13 13 13 13 13 13 13 13 13 15 15 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 8 8 8 21 21 20 20 20 20 5 5 5 5 5 5 5 5 5 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 6 6 6 6 6 6 6 6 6 10 10 10 10 10 10 10 10 10 7 7 7 7 7 7 7 7 7 13 13 13 13 13 13 13 13 13 11 11 11 11 11 11 11 11 11 15 15 15 15 15 15 12 12 12 12 12 12 12 12 12 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 17 17 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 21 21 21 4 12 25 19 20 18 21 18 21 6 10 22 6 10 22 6 10 22 1 12 25 1 12 25 1 12 25 11 26 27 11 26 27 11 26 27 36 37 38 36 37 38 36 37 38 7 13 23 7 13 23 7 13 23 12 28 29 12 28 29 12 28 29 11 15 24 11 15 24 11 15 24 16 34 35 16 34 35 16 34 35 9 30 31 9 30 31 9 30 31 17 18 17 18 17 18 10 32 33 10 32 33 10 32 33 7 30 31 7 30 31 7 30 31 8 32 33 8 32 33 8 32 33 17 39 40 17 39 40 17 39 40 16 19 16 19 20 42 20 42 15 19 15 19 15 19 21 43 21 43 3 21 3 21 2 20 2 20 2 19 2 -179.0801 63.2118 -59.6361 -179.6468 0.0626 64.8636 -114.9783 -66.8786 113.2795 177.7713 46.3391 -66.2818 -61.365 167.2028 54.5819 61.8375 -69.5947 177.7844 -165.9758 -42.5542 74.1492 78.4418 -158.1366 -41.4332 -46.8491 76.5726 -166.7241 55.6356 -64.6641 178.2018 165.931 45.6313 -71.5028 -69.3911 170.3092 53.1751 172.1989 -67.6995 53.4415 62.3192 -177.5793 -56.4383 -65.7713 54.3303 175.4713 60.4994 -177.8598 -57.8654 -176.5608 -54.9201 65.0743 -55.3778 66.263 -173.7426 -32.1366 -153.3881 87.2049 -158.9239 79.8246 -39.5825 80.1 -41.1515 -160.5586 -54.6289 176.2439 60.2384 -178.9876 51.8851 -64.1204 63.8089 -65.3184 178.6761 173.4613 52.1848 -65.3442 -65.335 173.3884 55.8594 52.6779 -68.5987 173.8723 52.1085 -71.0691 172.7179 179.9027 56.7251 -59.4879 -62.2677 174.5547 58.3417 -21.9381 160.8503 -149.8302 32.9583 92.9387 -84.2728 145.1021 25.7884 -92.77 23.7693 -95.5445 145.8972 -92.2189 148.4674 29.909 -52.8505 69.6756 -174.5528 67.418 -170.0558 -54.2842 -175.7898 -53.2637 62.5079 5.1712 122.8737 -116.8319 126.2439 -116.0536 4.2408 -114.0107 3.6918 123.9862 46.3271 -74.4445 169.6284 168.1777 47.406 -68.521 -74.2211 165.0073 49.0802 3.7305 -177.3214 -178.9831 -0.0351 177.4177 -2.4749 0.1226 -179.77 -15.8728 165.1535 105.0727 -73.901 -139.7877 41.2386 -0.0714 179.764 178.9176 -1.247 -179.9371 -0.1024 -0.0426 179.7921 179.7975 0.0932 -0.0402 -179.7446 0.1304 179.8461 -179.7231 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 262.19809999999984 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AuxInfo=1/0/N:14,16,13,10,12,11,9,19,18,17,7,6,15,5,20,21,8,4,3,2,1/CRV:8.3,9.3,10.3,13.3,15.3,16.3/rA:46OONCCCCCCCCCCCC3CC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s1s4;s4;s5;s7s9;s8s10;s6;s4;s7;s13;s15s16;s15;s17;s3s18;s2s19s20;s5;s6;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s16;s16;s1;s18;s19;s3;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 11.069874 0.000000 10.043385 2.682670 0.000000 2.489004 8.637251 7.822099 0.000000 3.714348 8.028575 7.625299 1.562691 0.000000 5.009107 6.549950 6.377704 2.575541 1.537987 0.000000 5.443002 5.783597 5.128698 3.011302 2.514814 1.562306 0.000000 1.470138 10.093394 9.270374 1.550882 2.373172 3.803694 4.365281 0.000000 3.251862 8.097293 6.870591 1.546393 2.521376 3.019513 2.592450 2.618394 0.000000 3.758406 9.168926 9.027710 2.459143 1.553361 2.677259 3.984233 2.499389 3.826811 0.000000 4.691931 6.581812 5.362271 2.562517 2.945362 2.583413 1.557895 3.964390 1.553251 4.432604 0.000000 2.547852 10.440431 10.002201 2.463906 2.460347 3.895732 4.924407 1.565163 3.869131 1.569591 4.936949 0.000000 6.275697 6.264564 6.648798 3.967735 2.579779 1.543449 2.531597 4.945632 4.451361 3.199326 3.930106 4.679227 0.000000 2.825851 8.769252 8.042528 1.552145 2.605786 3.129816 3.725058 2.531281 2.546004 3.061860 3.130218 3.073246 4.542728 0.000000 6.903814 4.245708 3.844592 4.456167 3.896110 2.564874 1.538973 5.870609 3.978329 5.227669 2.598773 6.333030 2.923466 4.883848 0.000000 7.511347 4.969046 5.811980 5.099456 3.921621 2.529878 3.031881 6.276068 5.378600 4.594914 4.457265 6.082521 1.541350 5.399452 2.585328 0.000000 7.768946 3.736709 4.287514 5.280483 4.406613 2.906603 2.586368 6.636383 5.130455 5.456115 3.876381 6.789303 2.565528 5.587524 1.430450 1.527898 0.000000 7.661850 3.700526 2.555148 5.345954 5.072859 3.875614 2.573909 6.782230 4.519671 6.495281 3.003939 7.460268 4.337338 5.712795 1.420534 3.865646 2.444274 0.000000 9.131114 2.447636 3.730185 6.647115 5.821253 4.312136 3.885775 8.035337 6.400366 6.834922 5.027443 8.191518 3.852666 6.852085 2.469949 2.522042 1.416323 2.814413 0.000000 9.034755 2.414402 1.457652 6.695593 6.338649 5.016937 3.878008 8.151777 5.917951 7.688009 4.387659 8.752143 5.205921 6.951051 2.470605 4.361619 2.834739 1.407369 2.448598 0.000000 9.697403 1.392161 2.421080 7.257535 6.652246 5.190132 4.392259 8.705215 6.735301 7.831817 5.237960 9.073179 5.005614 7.450259 2.854080 3.828139 2.451069 2.443594 1.406366 1.422723 0.000000 4.015461 8.209148 7.710968 2.159672 1.115848 2.139808 2.654278 2.586949 2.657519 2.158765 3.178090 2.825869 2.835656 3.527880 4.073835 4.257773 4.658879 5.178625 6.056689 6.463034 6.834487 0.000000 5.125252 6.515766 6.436210 2.791761 2.170866 1.111334 2.190675 4.123645 3.380962 2.980804 2.846917 4.149248 2.157277 2.741962 2.843794 2.677842 3.049063 4.062701 4.334479 5.099112 5.207341 3.064349 0.000000 5.613639 6.175395 5.466607 3.344734 2.687508 2.147472 1.116570 4.428780 2.807557 4.145601 2.154498 5.013761 2.740443 4.408180 2.152052 3.456557 3.094206 3.018008 4.335299 4.281485 4.816188 2.342998 3.073498 0.000000 2.116216 10.244327 9.324201 2.177206 2.693506 4.130317 4.463657 1.114189 2.728694 3.015091 4.125281 2.203210 5.146454 3.481091 6.002201 6.540193 6.834309 6.855505 8.230455 8.243537 8.853511 2.416321 4.693002 4.251290 0.000000 3.532492 8.420993 7.143176 2.177192 2.779751 3.440087 2.890777 2.761412 1.111193 4.069619 2.183893 4.036706 4.658615 3.497927 4.307247 5.704478 5.467291 4.819112 6.738855 6.220386 7.061789 2.444783 4.075524 2.653962 2.406076 0.000000 3.089430 8.723448 7.259686 2.195018 3.498577 4.019195 3.542980 2.979714 1.107034 4.638491 2.192708 4.402729 5.500918 2.743113 4.783929 6.350478 6.004731 5.104753 7.201722 6.465386 7.403190 3.693414 4.196680 3.821158 3.157866 1.781697 0.000000 4.631664 9.371291 9.424720 3.411567 2.216354 3.133398 4.440380 3.309171 4.626091 1.104491 5.147521 2.234116 3.144391 4.152775 5.585233 4.602288 5.637520 6.915713 6.977502 8.044289 8.067557 2.403464 3.619078 4.404842 3.549416 4.673338 5.522423 0.000000 4.237595 9.079327 9.121797 2.939572 2.204058 2.844877 4.314626 3.212699 4.368266 1.106522 4.776010 2.221385 3.297421 2.980286 5.366965 4.460323 5.426776 6.659948 6.734478 7.761174 7.789991 3.072886 2.746424 4.709790 3.943127 4.828099 5.103872 1.778139 0.000000 4.920577 6.457781 5.277959 2.896791 3.445339 2.911031 2.188410 4.390946 2.199396 4.773540 1.107540 5.287193 4.297384 2.874030 2.821622 4.596444 3.975462 3.112239 5.010890 4.355658 5.171018 3.958709 2.734530 3.076300 4.784784 3.101934 2.496053 5.602158 4.878949 0.000000 5.383360 6.452039 4.844747 3.500789 3.913480 3.536242 2.196841 4.756211 2.167704 5.436340 1.106733 5.864889 4.721080 4.125997 2.853414 5.112501 4.268295 2.756427 5.239143 4.099643 5.178461 3.927133 3.873649 2.470556 4.738290 2.451747 2.517924 6.086118 5.852013 1.771519 0.000000 2.591373 10.987471 10.586422 2.996697 3.242205 4.517992 5.625689 2.186381 4.475969 2.221548 5.520819 1.105943 5.344208 3.059161 6.968032 6.635807 7.378557 8.081846 8.748610 9.345651 9.640931 3.819514 4.516211 5.875251 3.053493 4.829223 4.837395 2.953231 2.365350 5.675409 6.495791 0.000000 3.102440 11.195668 10.786609 3.383693 3.206323 4.673924 5.664651 2.226427 4.632246 2.232807 5.765547 1.105541 5.246930 4.157955 7.089488 6.729368 7.509077 8.233370 8.913730 9.528259 9.829373 3.245799 5.072638 5.569465 2.407714 4.569306 5.174300 2.401370 2.994797 6.236721 6.618511 1.784173 0.000000 6.324097 7.129515 7.688986 4.245995 2.787381 2.192301 3.502832 4.995435 5.049346 2.818003 4.759616 4.382367 1.106759 4.701291 3.983961 2.178091 3.501812 5.403678 4.683619 6.236981 5.931546 3.156761 2.556834 3.709951 5.287753 5.281038 6.071696 2.564776 2.743880 5.053848 5.646213 4.949548 4.874593 0.000000 6.536173 6.462225 6.755782 4.311579 2.868732 2.176768 2.720871 5.125421 4.612628 3.567287 4.176894 4.934246 1.109840 5.188709 3.170423 2.188830 2.944367 4.482639 4.155823 5.359475 5.220920 2.673761 3.076217 2.461728 5.085300 4.553594 5.711890 3.292739 3.950301 4.779659 4.802704 5.761495 5.320185 1.782709 0.000000 2.477862 9.508894 8.548012 2.180238 3.541865 4.157787 4.531245 2.776304 2.825145 3.955614 3.613509 3.584262 5.612994 1.103199 5.684485 6.447435 6.514598 6.334907 7.737153 7.581932 8.210513 4.327130 3.790093 5.170837 3.710500 3.770541 2.574179 5.052355 3.928317 3.284095 4.443516 3.415130 4.600571 5.796201 6.207302 0.000000 3.878926 7.866914 7.189817 2.215511 2.948464 2.895731 3.334515 3.510293 2.775090 3.639181 2.773350 4.007390 4.307494 1.103184 4.220738 4.870591 4.894972 4.972571 6.057910 6.118106 6.591087 3.910799 2.241005 4.229282 4.351601 3.832123 3.010116 4.662970 3.401200 2.197145 3.767058 4.033070 5.095869 4.601253 5.068563 1.789677 0.000000 3.077515 9.285099 8.823258 2.218090 2.841660 3.441558 4.399949 2.773060 3.521011 2.717598 4.088632 2.737947 4.626884 1.104260 5.503025 5.521239 5.975605 6.476949 7.238154 7.654122 7.988159 3.858925 2.943441 5.068102 3.837660 4.363454 3.793275 3.796101 2.336650 3.829163 5.135828 2.426461 3.830462 4.524765 5.361642 1.777536 1.781842 0.000000 7.627722 5.235645 6.226829 5.294889 4.241331 2.880761 3.623408 6.496157 5.745829 4.706762 4.848697 6.192662 2.170360 5.281639 3.191840 1.110500 2.154589 4.398603 2.898572 4.812817 4.195038 4.813870 2.590732 4.266770 6.931400 6.242929 6.634534 4.821751 4.309450 4.750953 5.608403 6.571606 6.926369 2.420694 3.084685 6.326157 4.666545 5.261977 0.000000 8.427579 5.011186 6.232687 6.055033 4.755364 3.491591 3.948229 7.126782 6.340147 5.287509 5.443461 6.818530 2.190547 6.439299 3.395203 1.107043 2.164373 4.550986 2.688955 4.830083 4.060198 4.944526 3.740714 4.160186 7.309742 6.552317 7.349023 5.085190 5.183004 5.656882 6.019372 7.410368 7.349258 2.581329 2.469355 7.502585 5.957998 6.500794 1.770422 0.000000 0.989605 11.964694 10.951737 3.344647 4.381497 5.782396 6.270750 2.021258 4.105758 4.199722 5.591078 2.760718 6.942966 3.754080 7.763910 8.259085 8.598008 8.551036 9.980628 9.934539 10.584028 4.551614 5.963133 6.336056 2.375250 4.205855 3.953907 4.932324 4.739284 5.885118 6.243380 2.747506 2.979887 6.905237 7.128141 3.412226 4.830512 3.848433 8.398404 9.122521 0.000000 7.331689 4.565957 2.793698 5.201931 5.206708 4.255867 2.782761 6.587685 4.113869 6.711903 2.668018 7.474965 4.983483 5.623564 2.185702 4.764297 3.444798 1.095715 3.909901 2.153544 3.427140 5.246124 4.483410 3.123860 6.598672 4.368080 4.528267 7.220027 6.970828 2.845175 2.061044 8.102717 8.243736 6.045941 5.065961 6.084560 4.957618 6.518494 5.294992 5.510270 8.216255 0.000000 9.872697 2.684512 4.582494 7.395394 6.441110 4.937444 4.769919 8.732962 7.304431 7.276510 5.996645 8.720865 4.205300 7.547633 3.465184 2.715606 2.186073 3.909778 1.095436 3.436038 2.161474 6.703934 4.906520 5.188092 8.959660 7.644691 8.143014 7.313836 7.086384 5.955795 6.285549 9.242579 9.407966 4.850100 4.533210 8.485040 6.765855 7.805355 2.916839 2.515799 10.697532 5.005164 0.000000 10.283894 3.341440 1.025727 8.124757 7.936896 6.789753 5.423940 9.501148 7.050777 9.392976 5.619830 10.309483 7.055181 8.502454 4.268740 6.345030 4.831991 2.943047 4.365998 2.106326 3.114361 7.885903 6.989552 5.572183 9.438715 7.178245 7.427805 9.748651 9.597431 5.699625 4.948012 10.966457 11.030472 8.132769 7.011529 8.977210 7.732241 9.337149 6.890902 6.713387 11.156468 2.957369 5.225579 0.000000 10.028624 3.324838 1.025822 7.913135 7.896794 6.692143 5.455631 9.387134 6.929043 9.299803 5.435938 10.190107 7.141306 7.980189 4.276620 6.338577 4.832310 2.954722 4.359194 2.106503 3.104029 8.075325 6.622726 5.921349 9.513221 7.309274 7.177430 9.800587 9.340830 5.181970 4.900210 10.696800 11.035220 8.157571 7.355123 8.382124 7.081327 8.792380 6.627558 6.873242 10.963136 2.979283 5.216442 1.697987 0.000000 11.282979 1.013373 2.000988 8.909870 8.441849 7.015413 6.068430 10.380488 8.212260 9.679859 6.674120 10.864408 6.898609 9.050264 4.562283 5.710312 4.348056 3.711612 3.217820 2.308100 1.898635 8.589050 6.996041 6.438418 10.498115 8.519887 8.744833 9.945476 9.640316 6.538820 6.390093 11.421362 11.636307 7.828425 7.058251 9.703186 8.137558 9.659975 6.012457 5.848672 12.191329 4.385077 3.635566 2.615667 2.600110 0.000000 0.7849097 0.1524772 0.1337283 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= 250 251 251 251 251 MxSgAt= 46 MxSgA2= 46. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F 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= 15576 NPrTT= 78331 LenC2= 13750 LenP2D= 44034. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 260 RedAO= T EigKep= 2.93D-04 NBF= 260 NBsUse= 260 1.00D-06 EigRej= -1.00D+00 NBFU= 260 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= 249 249 250 250 250 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -904.457124425944 -904.569030724252 -0.111906298308 -904.882885213657 -0.313854489405 -904.895073904031 -0.012188690374 -904.906812635456 -0.011738731425 -904.908253638535 -0.001441003078 -904.908298974682 -0.000045336148 -904.908307058635 -0.000008083953 -904.908842649246 -0.000535590611 -904.908843025749 -0.000000376503 -904.908843446610 -0.000000420861 -904.908843888593 -0.000000441983 -904.908843910023 -0.000000021430 -904.908843910631 -0.000000000608 -904.908843910773 -0.000000000142 -904.908843910785 -0.000000000012 -904.908843910780 0.000000000005 -904.908843911 17 9.009919989021e+02 -5.615269573639e+03 2.055822176227e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=584753637. IVT= 224562 IEndB= 224562 NGot= 939524096 MDV= 363660120 LenX= 363660120 LenY= 363592079 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= 33930 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 9.34351881e-01 5.25065207e-01 -7.23684942e-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 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.005204729 0.018917890 0.014569697 -0.028825060 0.005452235 0.004066485 0.001091811 -0.000463144 -0.000028763 0.005611361 -0.003405276 -0.018447202 -0.000329342 0.003369133 0.005045113 0.001180426 -0.001883259 -0.009679342 0.003797801 -0.000554324 0.000275077 -0.006676143 -0.001494919 0.004474732 0.003224844 0.006712006 0.002445922 -0.003024304 -0.007707928 0.000135248 -0.002725853 0.006298417 -0.001418943 0.004355257 -0.004863142 -0.003217313 0.001667029 -0.003698275 0.003150985 0.002241634 0.001014265 0.004779719 0.004847218 -0.000794462 -0.002117060 0.002901103 -0.013490613 0.001821901 -0.001921018 -0.003987845 0.000643208 -0.003399454 0.003911013 0.000134621 0.001457172 0.004248871 -0.001218015 -0.004872436 -0.003396718 0.001026458 0.004804696 -0.002785159 0.000175284 0.000042036 0.002239070 0.004160555 -0.000164702 -0.001249257 -0.004464148 0.004288029 -0.000744933 0.004591039 -0.006033190 -0.003414701 -0.005103306 0.000188799 -0.002623333 -0.003437731 -0.000313373 0.001294706 0.000976115 -0.000715294 -0.002804134 -0.001342620 -0.001186817 -0.000027703 0.002348198 -0.001779830 -0.000142367 -0.001406742 0.001961796 0.000765206 -0.000154226 0.000508298 0.002138157 0.001583464 0.002072803 -0.001374692 -0.003632231 0.000266767 -0.000773452 0.001144986 -0.000007673 0.002742598 -0.002141390 0.000466647 0.001404722 -0.000930817 -0.004553700 -0.000338387 0.002142330 0.002188974 -0.005323064 0.003472851 0.001303393 0.000094563 -0.001211475 -0.000769440 0.001326466 0.001413173 0.013237154 -0.000670972 -0.003482812 -0.000867190 0.002941861 -0.000330575 -0.001738468 -0.003707533 0.000891581 -0.005915403 0.002493811 -0.010005067 -0.002460427 0.006402231 0.009643666 0.009369338 -0.002047625 -0.001342629 0.028825060 0.005135843 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -904.921701319570 -904.921721299276 -0.000019979706 -904.921720886108 0.000000413168 -904.921721467773 -0.000000581665 -904.921721472027 -0.000000004254 -904.921721474328 -0.000000002301 -904.921721474407 -0.000000000079 -904.921721474428 -0.000000000021 -904.921721474420 0.000000000008 -904.921721474 9 9.002618389453e+02 -5.579219822499e+03 2.038160080986e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=584753637. IVT= 224562 IEndB= 224562 NGot= 939524096 MDV= 363660120 LenX= 363660120 LenY= 363592079 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= 33930 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.763389 -18.753494 -14.004097 -9.947635 -9.940999 -9.928140 -9.904415 -9.899435 -9.899037 -9.898223 -9.896261 -9.892063 -9.891557 -9.891186 -9.890040 -9.889096 -9.887345 -9.886866 -9.886451 -9.883454 -9.868026 -0.949370 -0.920815 -0.822656 -0.782570 -0.763577 -0.723485 -0.707973 -0.680377 -0.660700 -0.647325 -0.629509 -0.609824 -0.598906 -0.560957 -0.549288 -0.539222 -0.518067 -0.503094 -0.492411 -0.469043 -0.459542 -0.458647 -0.447586 -0.442200 -0.426270 -0.411218 -0.405768 -0.394707 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15.959347 15.955606 15.954728 15.958002 15.957556 15.953938 15.953336 15.957068 15.956539 15.956443 15.957329 15.957538 15.953238 15.957310 15.956838 15.956973 15.955815 2.518466 2.527288 1.881306 1.343775 1.460840 1.457235 1.369812 1.479882 1.631894 1.561942 1.550156 1.604828 1.349546 1.500738 1.372174 1.526310 1.494752 1.452226 1.394269 1.270615 1.447447 1.289117 1.335386 1.382179 1.023554 1.227716 1.421333 1.048101 1.232028 1.177603 1.299870 1.161519 1.177598 1.313162 1.270985 1.194157 1.330734 1.311529 1.228404 1.352374 1.335829 1.367656 1.375707 1.589691 1.372945 1.445396 1.570052 1.413824 1.585594 1.255997 1.413434 1.596664 1.495342 1.768076 2.187474 1.221224 1.667026 1.372441 1.656898 1.408497 1.349527 1.170914 1.133376 1.241702 1.200848 1.458989 1.249419 1.381370 1.524523 1.095991 1.248896 1.274615 1.187445 1.252132 1.151231 1.179354 1.423813 1.480470 1.143919 1.252634 1.698228 1.425360 1.092377 1.389932 1.470681 1.650756 1.307806 1.485981 1.591439 1.242464 1.609247 1.278838 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2.765730 2.825088 2.820647 2.801926 3.046775 2.913240 3.007811 3.092660 3.416975 3.017486 3.082026 3.356373 3.304222 5.070305 4.944928 57.410657 57.419119 57.418853 57.413244 57.409282 57.406480 57.411173 57.400643 57.406723 57.399642 57.374339 57.387668 57.400856 57.395694 57.390299 57.391804 57.395783 57.385150 80.071760 105.845013 105.844734 9.002618389453D+02 PT4010.800S 2018-01-11T14:25:55.000+01:00 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 O O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H -0.451130 -0.424804 -0.644185 0.431342 -0.154712 -0.091363 -0.193648 -0.217636 -0.540196 -0.587016 -0.495536 -0.460386 -0.532226 -0.840185 0.302538 -0.586505 0.334787 -0.466312 -0.560605 -0.024834 0.181867 0.216548 0.255999 0.215882 0.225008 0.203747 0.222020 0.215167 0.231838 0.225533 0.188584 0.223209 0.207834 0.222406 0.220513 0.265361 0.216435 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1.55299 1.64794 1.65340 1.77477 1.81097 22.33742 22.48963 22.55775 22.60335 22.61109 22.61465 22.62730 22.64669 22.65852 22.68338 22.70320 22.71164 22.72404 22.73439 22.74411 22.76371 22.77467 22.82476 31.49055 41.55890 41.56533 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 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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 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|3 N 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 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0.19879 0.45833 0.16376 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 O O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H -0.449000 -0.423798 -0.721400 0.403775 -0.153303 -0.106729 -0.172031 -0.194820 -0.521162 -0.558211 -0.479908 -0.457166 -0.507930 -0.818800 0.287366 -0.583692 0.334391 -0.488218 -0.559608 0.058615 0.167430 0.215117 0.241314 0.199525 0.201376 0.190478 0.225843 0.209974 0.231322 0.224073 0.187619 0.226847 0.198963 0.219421 0.214312 0.254508 0.216187 0.222539 0.221655 0.227656 0.336342 0.233321 0.253837 0.306694 0.307371 0.377905 0.00000 8.75054667e-01 5.71182919e-01 -7.07404580e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 2.2242 1.4518 -1.7980 3.2074 -129.1159 -118.1253 -126.3024 -20.2408 -2.8749 -2.6053 -4.6014 6.3892 -1.7878 -20.2408 -2.8749 -2.6053 126.0651 15.1870 -8.1559 -64.4045 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-0.000000409 -0.000019136 -0.000018236 0.000043255 0.000009240 -0.000088279 262.19809999999984 AuxInfo=1/0/N:14,16,13,10,12,11,9,19,18,17,7,6,15,5,20,21,8,4,3,2,1/CRV:8.3,9.3,10.3,13.3,15.3,16.3/rA:46OONCCCCCCCCCCCC3CC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s1s4;s4;s5;s7s9;s8s10;s6;s4;s7;s13;s15s16;s15;s17;s3s18;s2s19s20;s5;s6;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s16;s16;s1;s18;s19;s3;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2034 CBGUSER 000238387 EM64L-G09RevD.01 11-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 132 C1[X(C18H25NO2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 262.19809999999984 0 1 AuxInfo=1/0/N:14,16,13,10,12,11,9,19,18,17,7,6,15,5,20,21,8,4,3,2,1/CRV:8.3,9.3,10.3,13.3,15.3,16.3/rA:46OONCCCCCCCCCCCC3CC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s1s4;s4;s5;s7s9;s8s10;s6;s4;s7;s13;s15s16;s15;s17;s3s18;s2s19s20;s5;s6;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s16;s16;s1;s18;s19;s3;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-4259.inp" -scrdir="/scratch/" chk=000238387-Freq.chk nprocshared=4 mem=7GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000238387 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 16 16 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (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| 0.000193 0.000057 0.027030 0.009584 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.442469e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1735.8761877249 260 604 260 78 78 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 262.19809999999984 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6.400367 6.834922 5.027444 8.191518 3.852666 6.852086 2.469949 2.522043 1.416323 2.814413 0.000000 9.034755 2.414403 1.457652 6.695592 6.338649 5.016937 3.878008 8.151776 5.917951 7.688008 4.387659 8.752142 5.205921 6.951051 2.470605 4.361619 2.834739 1.407369 2.448598 0.000000 9.697403 1.392161 2.421081 7.257534 6.652246 5.190131 4.392259 8.705214 6.735301 7.831817 5.237960 9.073178 5.005614 7.450259 2.854080 3.828139 2.451069 2.443595 1.406365 1.422723 0.000000 4.015461 8.209148 7.710967 2.159672 1.115848 2.139809 2.654278 2.586948 2.657519 2.158765 3.178090 2.825869 2.835655 3.527880 4.073834 4.257773 4.658879 5.178624 6.056689 6.463033 6.834486 0.000000 5.125252 6.515767 6.436211 2.791760 2.170867 1.111334 2.190675 4.123644 3.380962 2.980804 2.846917 4.149248 2.157277 2.741962 2.843794 2.677842 3.049063 4.062701 4.334479 5.099112 5.207340 3.064350 0.000000 5.613639 6.175395 5.466608 3.344733 2.687508 2.147471 1.116569 4.428779 2.807557 4.145600 2.154499 5.013761 2.740443 4.408180 2.152052 3.456557 3.094206 3.018009 4.335299 4.281485 4.816188 2.342997 3.073497 0.000000 2.116216 10.244327 9.324201 2.177206 2.693506 4.130317 4.463657 1.114189 2.728693 3.015091 4.125280 2.203210 5.146454 3.481090 6.002201 6.540192 6.834309 6.855505 8.230454 8.243537 8.853511 2.416321 4.693002 4.251289 0.000000 3.532493 8.420993 7.143176 2.177192 2.779750 3.440087 2.890776 2.761411 1.111193 4.069619 2.183892 4.036707 4.658615 3.497927 4.307246 5.704478 5.467291 4.819111 6.738855 6.220386 7.061788 2.444783 4.075523 2.653962 2.406076 0.000000 3.089430 8.723448 7.259687 2.195018 3.498577 4.019196 3.542981 2.979713 1.107034 4.638491 2.192708 4.402730 5.500919 2.743114 4.783929 6.350479 6.004732 5.104753 7.201723 6.465386 7.403190 3.693414 4.196680 3.821159 3.157866 1.781697 0.000000 4.631664 9.371291 9.424720 3.411567 2.216354 3.133398 4.440380 3.309171 4.626091 1.104491 5.147521 2.234115 3.144391 4.152774 5.585233 4.602288 5.637520 6.915713 6.977503 8.044289 8.067557 2.403465 3.619078 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7.378557 8.081846 8.748610 9.345651 9.640931 3.819515 4.516211 5.875251 3.053494 4.829224 4.837395 2.953231 2.365350 5.675410 6.495792 0.000000 3.102440 11.195669 10.786609 3.383693 3.206323 4.673924 5.664651 2.226428 4.632246 2.232808 5.765547 1.105542 5.246929 4.157955 7.089488 6.729368 7.509077 8.233370 8.913730 9.528259 9.829373 3.245800 5.072638 5.569464 2.407715 4.569307 5.174300 2.401369 2.994797 6.236722 6.618511 1.784173 0.000000 6.324097 7.129515 7.688986 4.245994 2.787382 2.192301 3.502832 4.995435 5.049346 2.818003 4.759616 4.382367 1.106759 4.701291 3.983960 2.178091 3.501811 5.403678 4.683619 6.236981 5.931545 3.156762 2.556834 3.709950 5.287753 5.281038 6.071697 2.564776 2.743880 5.053848 5.646213 4.949548 4.874593 0.000000 6.536173 6.462225 6.755782 4.311579 2.868732 2.176768 2.720871 5.125420 4.612628 3.567287 4.176894 4.934245 1.109839 5.188709 3.170423 2.188830 2.944367 4.482639 4.155823 5.359476 5.220920 2.673761 3.076217 2.461728 5.085300 4.553594 5.711891 3.292739 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2.375250 4.205855 3.953907 4.932324 4.739283 5.885118 6.243381 2.747506 2.979887 6.905237 7.128141 3.412226 4.830512 3.848433 8.398403 9.122521 0.000000 7.331689 4.565957 2.793699 5.201931 5.206708 4.255867 2.782761 6.587684 4.113868 6.711903 2.668018 7.474964 4.983483 5.623564 2.185702 4.764297 3.444798 1.095715 3.909901 2.153544 3.427140 5.246123 4.483409 3.123859 6.598671 4.368079 4.528267 7.220026 6.970828 2.845174 2.061044 8.102717 8.243736 6.045940 5.065961 6.084559 4.957618 6.518494 5.294991 5.510270 8.216255 0.000000 9.872697 2.684512 4.582494 7.395394 6.441110 4.937444 4.769919 8.732962 7.304432 7.276510 5.996645 8.720865 4.205301 7.547633 3.465184 2.715606 2.186073 3.909778 1.095436 3.436038 2.161474 6.703934 4.906521 5.188092 8.959660 7.644691 8.143015 7.313836 7.086384 5.955795 6.285548 9.242579 9.407967 4.850100 4.533210 8.485040 6.765855 7.805355 2.916839 2.515799 10.697532 5.005163 0.000000 10.283894 3.341440 1.025727 8.124756 7.936896 6.789753 5.423940 9.501147 7.050777 9.392976 5.619830 10.309482 7.055182 8.502454 4.268740 6.345030 4.831992 2.943047 4.365999 2.106327 3.114362 7.885903 6.989551 5.572183 9.438714 7.178244 7.427804 9.748651 9.597430 5.699624 4.948011 10.966457 11.030472 8.132769 7.011529 8.977209 7.732241 9.337149 6.890902 6.713387 11.156468 2.957369 5.225579 0.000000 10.028624 3.324838 1.025822 7.913135 7.896795 6.692143 5.455631 9.387134 6.929044 9.299803 5.435938 10.190107 7.141306 7.980190 4.276620 6.338578 4.832311 2.954722 4.359193 2.106503 3.104029 8.075324 6.622726 5.921350 9.513221 7.309274 7.177430 9.800587 9.340830 5.181970 4.900210 10.696801 11.035221 8.157571 7.355123 8.382123 7.081327 8.792380 6.627558 6.873242 10.963136 2.979284 5.216441 1.697987 0.000000 11.282979 1.013373 2.000988 8.909869 8.441849 7.015412 6.068430 10.380487 8.212260 9.679858 6.674120 10.864408 6.898609 9.050265 4.562283 5.710312 4.348056 3.711611 3.217820 2.308099 1.898635 8.589050 6.996040 6.438418 10.498115 8.519886 8.744833 9.945476 9.640316 6.538819 6.390092 11.421362 11.636307 7.828425 7.058251 9.703185 8.137558 9.659975 6.012457 5.848672 12.191329 4.385077 3.635565 2.615668 2.600110 0.000000 C18H25NO2 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 0 262.19809999999984 AuxInfo=1/0/N:14,16,13,10,12,11,9,19,18,17,7,6,15,5,20,21,8,4,3,2,1/CRV:8.3,9.3,10.3,13.3,15.3,16.3/rA:46OONCCCCCCCCCCCC3CC3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s1s4;s4;s5;s7s9;s8s10;s6;s4;s7;s13;s15s16;s15;s17;s3s18;s2s19s20;s5;s6;s7;s8;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s14;s16;s16;s1;s18;s19;s3;s3;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.7849097 0.1524772 0.1337283 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= 15576 NPrTT= 78331 LenC2= 13750 LenP2D= 44034. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 260 RedAO= T EigKep= 2.93D-04 NBF= 260 NBsUse= 260 1.00D-06 EigRej= -1.00D+00 NBFU= 260 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= 249 249 249 249 250 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -904.498018971508 -904.605181410053 -0.107162438545 -904.896518141192 -0.291336731139 -904.907761860542 -0.011243719350 -904.919728294130 -0.011966433588 -904.921086026348 -0.001357732219 -904.921143647864 -0.000057621515 -904.921152607518 -0.000008959654 -904.921708517296 -0.000555909778 -904.921709011992 -0.000000494696 -904.921709351582 -0.000000339590 -904.921709815450 -0.000000463868 -904.921709838295 -0.000000022845 -904.921709839042 -0.000000000747 -904.921709839205 -0.000000000163 -904.921709839246 -0.000000000041 -904.921709839229 0.000000000016 -904.921709839 17 9.002618652959e+02 -5.579219879518e+03 2.038160116658e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=584754073. IVT= 224998 IEndB= 224998 NGot= 939524096 MDV= 363659684 LenX= 363659684 LenY= 363591643 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= 33930 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 46. Will process 47 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 939523372 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=584542479. 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= 33930 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 1.42D-14 1.00D-09 XBig12= 3.44D+02 1.06D+01. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 1.42D-14 1.00D-09 XBig12= 1.08D+02 3.03D+00. 138 vectors produced by pass 2 Test12= 1.42D-14 1.00D-09 XBig12= 3.58D-01 5.88D-02. 138 vectors produced by pass 3 Test12= 1.42D-14 1.00D-09 XBig12= 1.72D-04 1.22D-03. 68 vectors produced by pass 4 Test12= 1.42D-14 1.00D-09 XBig12= 2.48D-08 1.25D-05. 5 vectors produced by pass 5 Test12= 1.42D-14 1.00D-09 XBig12= 2.44D-12 1.27D-07. 2 vectors produced by pass 6 Test12= 1.42D-14 1.00D-09 XBig12= 1.53D-15 2.54D-09. InvSVY: IOpt=1 It= 1 EMax= 1.60D-14 Solved reduced A of dimension 627 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 201.30 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 268.352 -7.081 200.086 6.921 4.589 135.456 406.422 -6.316 368.113 20.107 16.252 250.476 (Enter /mnt/data/applications/G09/g09/l716.exe) PT5167.700S 2018-01-11T14:47:40.000+01:00 -18.76339 -18.75349 -14.00410 -9.94763 -9.94100 -9.92814 -9.90441 -9.89944 -9.89903 -9.89822 -9.89626 -9.89206 -9.89156 -9.89119 -9.89004 -9.88910 -9.88734 -9.88686 -9.88645 -9.88345 -9.86802 -0.94937 -0.92081 -0.82266 -0.78257 -0.76358 -0.72348 -0.70797 -0.68038 -0.66070 -0.64732 -0.62951 -0.60982 -0.59891 -0.56096 -0.54929 -0.53922 -0.51807 -0.50309 -0.49241 -0.46904 -0.45954 -0.45865 -0.44759 -0.44220 -0.42627 -0.41122 -0.40577 -0.39471 -0.38374 -0.37693 -0.36794 -0.36678 -0.36500 -0.36008 -0.34451 -0.34066 -0.33229 -0.32937 -0.32505 -0.31846 -0.30917 -0.30367 -0.29973 -0.29552 -0.28680 -0.28079 -0.27693 -0.27304 -0.26523 -0.26251 -0.25689 -0.24755 -0.23561 -0.21936 -0.21088 -0.20869 -0.17575 -0.03221 -0.01156 0.03833 0.04746 0.07553 0.08469 0.08631 0.09306 0.09601 0.10241 0.10582 0.11311 0.11620 0.11856 0.12610 0.13100 0.13665 0.14050 0.14226 0.14629 0.14953 0.15559 0.15792 0.16596 0.17141 0.17732 0.17976 0.18199 0.18991 0.19219 0.19592 0.19824 0.20474 0.20779 0.21765 0.22285 0.22738 0.23152 0.23358 0.23729 0.24430 0.24873 0.25879 0.26574 0.27357 0.27771 0.28418 0.29165 0.29538 0.29853 0.30187 0.31063 0.31541 0.32561 0.33012 0.34177 0.34429 0.35154 0.36350 0.37304 0.37377 0.37932 0.38649 0.38947 0.39535 0.40278 0.40833 0.41162 0.41315 0.42273 0.42591 0.42806 0.43884 0.44432 0.44892 0.45232 0.45374 0.45809 0.47111 0.47955 0.48509 0.49574 0.51575 0.51839 0.52866 0.53677 0.54384 0.55635 0.56292 0.56800 0.57099 0.57869 0.58435 0.59770 0.60568 0.61413 0.61964 0.63717 0.64126 0.67015 0.67784 0.69125 0.71384 0.73379 0.76513 0.77076 0.77494 0.79497 0.81045 0.81449 0.82786 0.85848 0.87146 0.89002 0.91658 0.92213 0.92748 0.93231 0.93695 0.94076 0.96428 0.97276 0.98115 0.98379 0.99050 1.00779 1.01862 1.03151 1.04579 1.04890 1.06856 1.07529 1.08850 1.10450 1.11112 1.11647 1.11855 1.12873 1.14386 1.16368 1.18232 1.19367 1.22164 1.22352 1.24702 1.25714 1.26684 1.27623 1.31290 1.35205 1.35407 1.38121 1.42917 1.45076 1.47614 1.50017 1.55299 1.64794 1.65341 1.77477 1.81096 22.33742 22.48963 22.55775 22.60335 22.61109 22.61465 22.62730 22.64670 22.65852 22.68339 22.70320 22.71164 22.72404 22.73439 22.74411 22.76371 22.77467 22.82476 31.49055 41.55890 41.56533 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 O O N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H -0.448994 -0.423800 -0.721405 0.403895 -0.153454 -0.106672 -0.172050 -0.194846 -0.521249 -0.558157 -0.479863 -0.457160 -0.507992 -0.818823 0.287327 -0.583711 0.334447 -0.488216 -0.559612 0.058620 0.167443 0.215138 0.241329 0.199514 0.201385 0.190491 0.225846 0.209972 0.231320 0.224065 0.187615 0.226847 0.198961 0.219425 0.214325 0.254513 0.216187 0.222544 0.221656 0.227659 0.336342 0.233333 0.253834 0.306693 0.307371 0.377905 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 O N C C C C C C C C C C C C C C C C C C -0.112652 -0.045895 -0.107340 0.403895 0.061684 0.134657 0.027463 0.006538 -0.104911 -0.116865 -0.068183 -0.031351 -0.074242 -0.125579 0.287327 -0.134395 0.334447 -0.254883 -0.305778 0.058620 0.167443 0.00000 -8.73155802e-01 -5.86891660e-01 -6.96790555e-01 2.68351993e+02 -7.08147910e+00 2.00086287e+02 6.92129758e+00 4.58865730e+00 1.35456208e+02 -17.5290 -6.8579 -0.0005 -0.0004 0.0004 1.3169 27.6046 50.9514 94.2719 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 27.2819 50.9310 94.2478 110.1442 123.0811 140.5227 160.1063 174.3435 206.1100 211.4470 225.5726 235.5195 244.5169 262.3648 272.9777 289.6352 293.4111 302.5569 351.3990 357.5604 380.6045 400.5129 418.1025 441.1305 448.8092 461.3977 486.0702 520.6791 540.0918 551.3568 587.7589 603.2926 640.0984 648.9289 704.6081 712.2635 722.7244 725.0766 762.8694 800.4672 819.3487 824.7021 832.4890 849.1393 852.4193 877.5532 885.8820 902.4051 920.8150 944.1597 957.5402 981.8474 983.8139 1002.8000 1021.9553 1025.0917 1038.3447 1056.4129 1073.0166 1084.8598 1099.0479 1120.3833 1125.8616 1140.2588 1142.1722 1149.5020 1164.8814 1172.3223 1176.2251 1186.6457 1196.3778 1213.6912 1215.3225 1231.6130 1236.4732 1244.2736 1253.1860 1262.0741 1271.0980 1283.0254 1286.3894 1303.3290 1308.9455 1313.6625 1317.2223 1325.2076 1333.4973 1335.2455 1341.8049 1353.0810 1370.9936 1382.1190 1390.4285 1393.7005 1428.5472 1458.4079 1459.0373 1466.7822 1470.4093 1471.1015 1478.2130 1488.9885 1491.1467 1498.3503 1579.7780 1629.8969 1636.9956 2891.4930 2905.0321 2926.2095 2956.1137 2956.6917 2958.7337 2970.8352 2982.8909 2990.9965 2996.5757 3005.5594 3019.1674 3027.4993 3034.1902 3039.6024 3044.6824 3068.5426 3084.8459 3096.1589 3134.3995 3142.8469 3200.4341 3447.6726 3559.5220 3572.8890 3.8574 4.2858 3.3015 4.3543 2.3100 2.3830 1.4670 1.7613 1.8513 2.9096 2.0799 2.6111 1.3049 2.8032 2.6903 3.6584 3.2295 3.2816 3.2233 2.4820 3.2996 4.0492 3.4700 2.8237 4.0814 4.0246 2.4649 3.2112 3.5261 4.1711 2.9551 2.6697 4.6434 3.8121 2.5670 2.8588 2.1274 1.9535 4.0709 2.8836 1.0745 1.8714 1.5825 1.8552 2.4775 1.5253 1.5283 1.8811 1.9747 2.2261 1.8682 2.3629 2.6340 2.0578 2.3400 1.7107 2.9556 2.6382 2.8217 1.8086 2.9996 2.1333 1.6054 1.9311 1.3248 2.0580 1.4466 1.3903 1.9047 1.3492 1.8837 1.2010 1.6745 1.6032 1.4167 1.4012 1.4422 1.5777 1.5711 1.3853 1.3368 1.3847 2.2060 1.6706 1.4919 1.6339 1.6376 1.3602 1.4823 1.5631 1.5443 1.3127 3.5973 1.3591 3.9836 1.0791 1.1250 1.0827 1.0818 1.0922 1.0851 1.0674 1.0712 3.5084 3.6583 2.8416 1.7116 1.0804 1.0799 1.0841 1.0644 1.0657 1.0740 1.0702 1.0603 1.0592 1.0371 1.0619 1.0933 1.0960 1.1013 1.1020 1.1029 1.1042 1.0977 1.0990 1.0899 1.0917 1.0616 1.0447 1.0977 1.0662 0.0017 0.0066 0.0173 0.0311 0.0206 0.0277 0.0222 0.0315 0.0463 0.0766 0.0624 0.0853 0.0460 0.1137 0.1181 0.1808 0.1638 0.1770 0.2345 0.1870 0.2816 0.3827 0.3574 0.3237 0.4844 0.5048 0.3431 0.5129 0.6060 0.7471 0.6015 0.5725 1.1209 0.9458 0.7509 0.8545 0.6547 0.6051 1.3959 1.0886 0.4250 0.7499 0.6462 0.7881 1.0606 0.6921 0.7067 0.9025 0.9865 1.1692 1.0092 1.3421 1.5021 1.2192 1.4399 1.0592 1.8775 1.7347 1.9141 1.2541 2.1348 1.5777 1.1990 1.4793 1.0183 1.6022 1.1565 1.1258 1.5526 1.1193 1.5885 1.0423 1.4572 1.4328 1.2762 1.2781 1.3344 1.4806 1.4956 1.3436 1.3033 1.3858 2.2269 1.6986 1.5251 1.6906 1.7157 1.4288 1.5724 1.6861 1.7102 1.4774 4.0976 1.5553 4.7898 1.3523 1.4110 1.3724 1.3781 1.3926 1.3970 1.3943 1.4034 4.6407 5.3793 4.4477 2.7024 5.3220 5.3696 5.4692 5.4804 5.4893 5.5393 5.5651 5.5586 5.5827 5.4870 5.6515 5.8716 5.9185 5.9735 5.9991 6.0240 6.1256 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