Gaussian 09 GINC-KIMIK2073 CBGUSER 000133558 EM64L-G09RevD.01 8-Jul-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 324.2442999999998 0 1 AuxInfo=1/0/N:26,19,24,17,14,12,13,21,11,15,18,10,22,25,16,23,6,7,5,9,20,8,4,3,2,1/CRV:1.2,3.2,13.3,15.3,16.3,21.3,25.1,26.1/rA:56O1O1OCCCCCCCCCCCCC3CCCC3CC3C3C2CC2HHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s7;s4;s4;s7s10;s5;s9s12;s6;s4;s8;s14s16;s8;s8;s1s9;s18;s16;s2s21s22;s15;s3s20;s24;s5;s6;s7;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s17;s17;s18;s18;s19;s19;s19;s21;s21;s22;s25;s25;s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-22153.inp" -scrdir="/scratch/" chk=000133558.chk nprocshared=4 mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000133558 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 16 16 16 12 12 12 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 1 1 1 1 15.9949146 15.9949146 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 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 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 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 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 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 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 1 2 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 17 17 18 18 18 19 19 19 20 21 21 21 22 22 24 25 25 26 20 23 25 56 5 9 10 15 6 12 27 7 14 28 8 11 29 16 18 19 13 20 30 11 31 32 33 34 13 35 36 37 38 17 39 40 24 41 42 17 22 43 44 21 45 46 47 48 49 25 23 50 51 23 52 26 53 54 55 1.2301 1.2292 1.4118 0.9725 1.5586 1.558 1.5383 1.5486 1.5491 1.534 1.0999 1.5504 1.5392 1.0978 1.578 1.5495 1.1023 1.5312 1.5561 1.5477 1.5265 1.5029 1.0959 1.5289 1.0936 1.0976 1.0933 1.0975 1.5196 1.095 1.0949 1.0948 1.097 1.521 1.0963 1.0981 1.4555 1.0955 1.0977 1.5085 1.3433 1.0968 1.0969 1.5203 1.0992 1.0966 1.0947 1.0944 1.0967 1.5139 1.5066 1.0955 1.0945 1.4815 1.0848 1.2005 1.0894 1.0938 1.0648 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 25 5 5 5 9 9 10 4 4 4 6 6 12 5 5 5 7 7 14 6 6 6 8 8 11 7 7 7 16 16 18 4 4 4 13 13 20 4 4 4 11 11 31 7 7 7 10 10 33 5 5 5 13 13 35 9 9 9 12 12 37 6 6 6 17 17 39 4 4 4 24 24 41 8 8 17 14 14 14 16 16 43 8 8 8 21 21 45 8 8 8 47 47 48 1 1 9 18 18 18 23 23 50 16 16 23 2 2 21 3 3 3 20 20 53 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 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 25 25 25 25 25 25 56 9 10 15 10 15 15 6 12 27 12 27 27 7 14 28 14 28 28 8 11 29 11 29 29 16 18 19 18 19 19 13 20 30 20 30 30 11 31 32 31 32 32 10 33 34 33 34 34 13 35 36 35 36 36 12 37 38 37 38 38 17 39 40 39 40 40 24 41 42 41 42 42 17 22 22 16 43 44 43 44 44 21 45 46 45 46 46 47 48 49 48 49 49 9 25 25 23 50 51 50 51 51 23 52 52 21 22 22 20 53 54 53 54 54 107.5361 105.4838 111.2427 109.0702 114.0454 107.7714 109.0543 114.8125 105.6481 108.5761 112.5949 107.9033 106.9888 110.8637 109.7229 108.7924 110.6682 108.7146 108.0064 113.8615 112.0628 105.0006 113.2502 106.1343 105.6209 109.7328 107.8708 112.366 110.1906 107.3532 109.3315 104.9121 114.7918 113.8598 109.692 107.0524 106.2754 113.322 112.8473 109.8819 108.0921 106.6182 105.6146 114.2548 111.9966 108.5619 107.156 109.6823 104.7584 104.2496 111.701 111.4349 111.0687 111.2049 107.25 103.701 114.0002 109.9765 111.7904 109.6327 107.6865 112.2579 110.1086 109.8674 108.6146 109.1608 106.6638 109.9731 111.3757 110.2573 110.091 109.1495 105.9024 116.1861 124.0377 119.7503 111.7492 109.5993 108.7176 109.1454 111.2804 106.1883 113.4179 109.4274 110.7647 107.8393 108.8798 106.2211 112.1189 112.1799 111.4707 107.3568 106.9151 106.4569 121.2938 122.4236 116.2826 110.2399 109.1497 111.8721 108.5079 108.813 108.1778 121.2261 121.9321 116.7333 121.8517 119.8755 118.1525 110.6753 108.0443 108.6289 110.7743 109.4615 109.2083 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A116 A117 A118 A119 15 24 15 24 24 26 24 26 26 55 26 55 3 3 3 3 -1 -1 -2 -2 181.4932 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 179.8906 179.7393 180.0154 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 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 56 56 56 9 9 9 10 10 10 15 15 15 5 5 5 10 10 10 15 15 15 5 5 5 9 9 9 15 15 15 5 5 5 9 9 9 10 10 10 4 4 4 12 12 12 27 27 27 4 4 4 6 6 6 27 27 27 5 5 5 14 14 14 28 28 28 5 5 5 7 7 7 28 28 28 6 6 6 11 11 11 29 29 29 6 6 6 8 8 8 29 29 29 7 7 18 18 19 19 7 7 7 16 16 16 19 19 19 7 7 7 16 16 16 18 18 18 4 4 4 20 20 20 30 30 30 4 4 13 13 30 30 4 4 4 31 31 31 32 32 32 5 5 5 35 35 35 36 36 36 6 6 6 39 39 39 40 40 40 8 8 8 22 22 22 8 8 17 17 8 8 8 45 45 45 46 46 46 1 1 1 9 9 9 18 18 50 50 51 51 16 16 52 52 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 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 25 25 25 5 5 5 5 5 5 5 5 5 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 15 15 15 6 6 6 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 14 14 14 14 14 14 14 14 14 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 13 13 13 13 13 13 13 13 13 20 20 20 20 20 20 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 22 22 22 22 21 21 21 21 21 21 21 21 21 25 25 25 25 25 25 23 23 23 23 23 23 23 23 23 23 20 53 54 6 12 27 6 12 27 6 12 27 13 20 30 13 20 30 13 20 30 11 31 32 11 31 32 11 31 32 24 41 42 24 41 42 24 41 42 7 14 28 7 14 28 7 14 28 13 35 36 13 35 36 13 35 36 8 11 29 8 11 29 8 11 29 17 39 40 17 39 40 17 39 40 16 18 19 16 18 19 16 18 19 10 33 34 10 33 34 10 33 34 17 22 17 22 17 22 21 45 46 21 45 46 21 45 46 47 48 49 47 48 49 47 48 49 12 37 38 12 37 38 12 37 38 1 25 1 25 1 25 7 33 34 7 33 34 7 33 34 9 37 38 9 37 38 9 37 38 16 43 44 16 43 44 16 43 44 14 43 44 14 43 44 23 52 23 52 23 50 51 23 50 51 23 50 51 3 53 54 3 53 54 2 22 2 22 2 22 2 21 2 21 64.8585 -173.6984 -55.3408 131.6917 7.0053 -107.4666 7.5449 -117.1414 128.3867 -112.7855 122.5281 8.0563 17.5645 -102.9072 134.2833 139.9281 19.4564 -103.3531 -98.8466 140.6817 17.8722 -53.766 -177.038 65.3834 -172.9154 63.8127 -53.7659 66.5738 -56.6981 -174.2767 -178.3292 59.344 -57.9202 -64.2861 173.3871 56.1229 60.0039 -62.323 -179.5871 46.0187 168.5595 -73.4796 166.9671 -70.4921 47.4689 -75.1917 47.3491 165.3101 -29.1277 -149.1448 90.9135 -155.1856 84.7972 -35.1445 86.4351 -33.582 -153.5237 174.3616 -55.4708 58.6966 52.3716 -177.4608 -63.2935 -66.0935 64.0741 178.2414 -177.559 61.3011 -55.892 -54.9022 -176.0421 66.7648 63.9926 -57.1473 -174.3405 -48.1846 -168.2455 71.1719 -177.7588 62.1804 -58.4023 66.8133 -53.2476 -173.8302 10.5517 -111.5174 133.3023 141.0333 18.9641 -96.2161 -103.2337 134.6971 19.5169 48.5261 -133.337 167.1639 -14.6992 -73.8604 104.2766 164.5837 44.1356 -72.641 44.8118 -75.6363 167.5871 -72.9493 166.6026 49.8259 -48.7808 72.1133 -168.6056 71.9557 -167.1502 -47.869 -168.5174 -47.6233 71.6579 -35.7962 -157.585 81.371 87.9972 -33.7916 -154.8356 -157.0971 81.1141 -39.9298 86.5086 -93.4647 -31.2908 148.7358 -146.6919 33.3348 44.5721 169.2554 -77.5674 170.4219 -64.8948 48.2824 -76.4359 48.2474 161.4246 40.4019 163.6545 -77.0054 160.844 -75.9034 43.4367 -79.7939 43.4587 162.7988 54.6275 -66.4951 177.8396 176.6219 55.4993 -60.166 -67.4423 171.4352 55.7699 -52.72 68.6656 -174.4667 129.0582 -109.5562 7.3115 -4.4908 179.4216 173.5835 -2.5041 -55.4248 -174.5148 65.7987 65.9183 -53.1717 -172.8582 -179.2347 61.6752 -58.0112 0.5815 -119.237 120.2821 -179.4455 60.736 -59.7449 -148.1739 35.822 -28.6936 155.3022 88.7962 -87.208 177.4316 -6.4825 -6.2859 169.8 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 336 336 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 56 56 56 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= 23436 NPrTT= 118006 LenC2= 20459 LenP2D= 64001. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 320 RedAO= T EigKep= 6.65D-04 NBF= 320 NBsUse= 320 1.00D-06 EigRej= -1.00D+00 NBFU= 320 Using GEDIIS/GDIIS optimizer. local minimum Step number 19 out of a maximum of 336 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00090 0.00215 0.00298 0.00375 0.00456 0.00490 0.00511 0.00584 0.00636 0.00688 0.00773 0.01152 0.01195 0.01241 0.01429 0.01768 0.01963 0.02246 0.02333 0.02604 0.02728 0.02826 0.03038 0.03212 0.03287 0.03316 0.03441 0.03720 0.03982 0.04055 0.04133 0.04299 0.04353 0.04590 0.04617 0.04675 0.04763 0.04779 0.04865 0.04928 0.04944 0.05034 0.05123 0.05204 0.05266 0.05305 0.05359 0.05412 0.05447 0.05713 0.05875 0.05954 0.06020 0.06096 0.06113 0.06251 0.07061 0.07130 0.07229 0.07331 0.07471 0.07567 0.07840 0.08042 0.08165 0.08238 0.08438 0.08520 0.08571 0.08650 0.09247 0.09402 0.09476 0.09837 0.10234 0.11334 0.11372 0.11586 0.11943 0.12478 0.13337 0.13363 0.13794 0.14369 0.15832 0.15853 0.15992 0.16007 0.16014 0.16016 0.16071 0.16498 0.17319 0.17838 0.18570 0.19088 0.19900 0.21532 0.22331 0.22769 0.22888 0.23307 0.23968 0.24289 0.24892 0.25023 0.25496 0.25951 0.26214 0.26790 0.26968 0.27669 0.27991 0.28302 0.28367 0.28651 0.28874 0.29014 0.29221 0.29304 0.29452 0.30679 0.31098 0.31567 0.32778 0.33209 0.33487 0.33727 0.33771 0.33890 0.33917 0.33923 0.33953 0.33995 0.34012 0.34024 0.34037 0.34057 0.34076 0.34108 0.34167 0.34183 0.34205 0.34217 0.34233 0.34261 0.34297 0.34311 0.34378 0.34398 0.34455 0.34582 0.34747 0.35402 0.37715 0.38170 0.46391 0.51550 0.54369 0.86655 0.88817 1.07972 RFO step: Lambda=-1.44634418D-07. 1 2 0.00119296 0.00000064 0.00000101 0.00000088 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 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 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 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 A116 A117 A118 A119 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 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 D194 2.39569 2.39949 2.72943 1.89067 2.99258 3.00770 2.93033 2.97427 2.93560 2.94564 2.10146 2.94148 2.91990 2.09782 2.99402 2.96437 2.10514 2.90816 2.95106 2.95174 2.94060 2.87169 2.09189 2.92343 2.09272 2.08986 2.08809 2.09065 2.92095 2.08744 2.08765 2.08697 2.09166 2.92466 2.08977 2.09784 2.78353 2.09237 2.09397 2.86697 2.59386 2.09975 2.08858 2.91430 2.09620 2.08993 2.08568 2.08760 2.08700 2.88983 2.88760 2.08680 2.09632 2.79093 2.07505 2.33194 2.09805 2.10204 2.03116 1.85743 1.83891 1.93985 1.88979 1.99556 1.87386 1.92102 1.98133 1.85906 1.88389 1.97468 1.86140 1.90086 1.93308 1.92800 1.88002 1.91558 1.91708 1.88927 1.97777 1.95468 1.83835 1.97087 1.83156 1.87809 1.90345 1.88772 1.94764 1.91569 1.88520 1.92408 1.80965 1.97905 1.90065 1.95164 1.95351 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0.00085 0.00032 -0.00011 0.00038 -0.00005 0.00030 -0.00013 -0.00011 -0.00009 -0.00009 -0.00015 -0.00012 -0.00013 0.00001 0.00003 0.00003 -0.00042 -0.00038 -0.00046 -0.00047 -0.00042 -0.00051 -0.00051 -0.00047 -0.00055 0.00020 -0.00025 -0.00015 0.00040 -0.00005 0.00005 0.00035 -0.00011 -0.00001 0.00080 0.00070 0.00063 0.00052 0.00071 0.00061 -0.00035 -0.00030 -0.00036 -0.00025 -0.00020 -0.00026 -0.00034 -0.00029 -0.00035 0.00016 0.00048 0.00057 0.00006 0.00038 0.00046 0.00013 0.00046 0.00054 -0.00035 -0.00039 -0.00040 -0.00024 -0.00027 -0.00029 -0.00030 -0.00034 -0.00035 0.00002 0.00011 0.00008 0.00044 0.00052 0.00049 0.00006 0.00023 -0.00038 -0.00021 0.00034 0.00040 0.00042 0.00038 0.00045 0.00046 0.00033 0.00039 0.00041 -0.00155 -0.00146 -0.00139 -0.00145 -0.00137 -0.00130 -0.00038 -0.00031 -0.00046 -0.00039 -0.00055 -0.00048 0.00020 0.00014 0.00004 -0.00002 2.39591 2.39944 2.72947 1.89093 2.99242 3.00777 2.93029 2.97431 2.93563 2.94567 2.10147 2.94149 2.91992 2.09783 2.99390 2.96432 2.10517 2.90812 2.95107 2.95173 2.94078 2.87151 2.09186 2.92346 2.09273 2.08987 2.08815 2.09065 2.92087 2.08743 2.08765 2.08693 2.09173 2.92460 2.08976 2.09786 2.78351 2.09238 2.09396 2.86697 2.59382 2.09976 2.08859 2.91433 2.09620 2.08994 2.08568 2.08759 2.08699 2.88994 2.88764 2.08682 2.09631 2.79098 2.07506 2.33201 2.09793 2.10220 2.03120 1.85718 1.83898 1.93976 1.88959 1.99559 1.87406 1.92100 1.98132 1.85914 1.88377 1.97473 1.86139 1.90085 1.93317 1.92775 1.88010 1.91562 1.91702 1.88936 1.97776 1.95466 1.83831 1.97088 1.83162 1.87808 1.90345 1.88774 1.94773 1.91573 1.88505 1.92406 1.80962 1.97913 1.90060 1.95189 1.95337 1.87028 1.95989 1.91969 1.91121 1.90887 1.89574 1.86591 1.97778 1.93363 1.91623 1.88041 1.91332 1.83691 1.84412 1.96456 1.91130 1.95562 1.90270 1.88471 1.82296 1.96486 1.90315 1.96336 1.93678 1.87299 1.94887 1.92735 1.90278 1.90567 1.90913 1.86822 2.00357 1.89738 1.90092 1.90337 1.90313 1.84925 2.04197 2.13943 2.10116 1.96591 1.88640 1.93220 1.89726 1.91956 1.85873 1.98774 1.89058 1.91562 1.89053 1.91117 1.86389 1.95655 1.93881 1.93310 1.87970 1.87407 1.87829 2.17076 2.06169 2.05069 1.94386 1.94735 1.93310 1.89766 1.87935 1.85920 2.16569 2.10067 2.01560 2.13120 2.12521 2.02585 1.95638 1.92349 1.92764 1.89947 1.88584 1.86842 3.13757 3.15575 3.13904 3.14369 0.06914 2.18751 -2.03477 2.10624 -0.07864 -2.11766 -0.06439 -2.24928 1.99490 -2.17618 1.92212 -0.11690 0.44916 -1.67133 2.53141 2.58423 0.46375 -1.61670 -1.56234 2.60036 0.51991 -0.87353 -3.00363 1.23393 -2.95265 1.20043 -0.84519 1.21970 -0.91040 -2.95602 -3.11265 1.03382 -0.97355 -1.13507 3.01140 1.00403 1.04716 -1.08955 -3.09693 0.95601 3.08212 -1.14087 3.07755 -1.07953 0.98067 -1.11619 1.00992 3.07012 -0.32675 -2.46638 1.72017 -2.51565 1.62790 -0.46873 1.70085 -0.43877 -2.53541 3.13153 -0.89735 1.13904 0.99831 -3.03056 -0.99417 -1.07697 1.17734 -3.06946 -3.12012 1.03921 -1.00868 -0.98369 -3.10755 1.12776 1.10855 -1.01531 -3.06319 -0.89431 -2.97700 1.18685 -3.14032 1.06017 -1.05916 1.10219 -0.98050 -3.09983 -0.02860 -2.14453 2.11718 2.22931 0.11337 -1.90810 -2.04086 2.12639 0.10492 0.82714 -2.35215 2.89235 -0.28694 -1.29258 1.81131 2.87791 0.77333 -1.25565 0.80299 -1.30158 2.95262 -1.27138 2.90723 0.87825 -1.06430 1.03966 3.12606 1.02775 3.13171 -1.06508 3.12076 -1.05847 1.02793 -0.65708 -2.79236 1.41424 1.48156 -0.65372 -2.73031 -2.70279 1.44511 -0.63148 1.28486 -1.86619 -0.75384 2.37829 -2.90058 0.23156 0.93669 3.08230 -1.21070 3.07293 -1.06465 0.92554 -1.17967 0.96594 2.95613 0.61616 2.75242 -1.43214 2.76149 -1.38544 0.71319 -1.43654 0.69971 2.79834 0.91202 -1.18434 3.06936 3.04836 0.95200 -1.07750 -1.19572 2.99110 0.96161 -0.85755 1.23253 -3.02188 2.32087 -1.87224 0.15654 -0.08475 3.11231 3.01790 -0.06823 -0.95910 -3.08324 1.13196 1.14550 -0.97864 -3.04662 -3.11115 1.04789 -1.02010 -0.05217 -2.18430 2.07581 3.09827 0.96614 -1.05694 -2.62051 0.56660 -0.46777 2.71934 1.54008 -1.55600 3.12742 -0.05952 -0.06719 3.02905 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000158 0.000015 0.005799 0.001193 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.572422e-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 R50 R51 R52 R53 R54 R55 R56 R57 R58 R59 1 2 3 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 17 17 18 18 18 19 19 19 20 21 21 21 22 22 24 25 25 26 20 23 25 56 5 9 10 15 6 12 27 7 14 28 8 11 29 16 18 19 13 20 30 11 31 32 33 34 13 35 36 37 38 17 39 40 24 41 42 17 22 43 44 21 45 46 47 48 49 25 23 50 51 23 52 26 53 54 55 1.2677 1.2698 1.4444 1.0005 1.5836 1.5916 1.5507 1.5739 1.5535 1.5588 1.112 1.5566 1.5451 1.1101 1.5844 1.5687 1.114 1.5389 1.5616 1.562 1.5561 1.5196 1.107 1.547 1.1074 1.1059 1.105 1.1063 1.5457 1.1046 1.1047 1.1044 1.1069 1.5477 1.1059 1.1101 1.473 1.1072 1.1081 1.5171 1.3726 1.1111 1.1052 1.5422 1.1093 1.1059 1.1037 1.1047 1.1044 1.5292 1.5281 1.1043 1.1093 1.4769 1.0981 1.234 1.1102 1.1124 1.0748 -DE/DX = 0.0002|-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 = 0.0|-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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 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 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 A110 A111 A112 A113 A114 A115 25 5 5 5 9 9 10 4 4 4 6 6 12 5 5 5 7 7 14 6 6 6 8 8 11 7 7 7 16 16 18 4 4 4 13 13 20 4 4 4 11 11 31 7 7 7 10 10 33 5 5 5 13 13 35 9 9 9 12 12 37 6 6 6 17 17 39 4 4 4 24 24 41 8 8 17 14 14 14 16 16 43 8 8 8 21 21 45 8 8 8 47 47 48 1 1 9 18 18 18 23 23 50 16 16 23 2 2 21 3 3 3 20 20 53 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 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 25 25 25 25 25 25 56 9 10 15 10 15 15 6 12 27 12 27 27 7 14 28 14 28 28 8 11 29 11 29 29 16 18 19 18 19 19 13 20 30 20 30 30 11 31 32 31 32 32 10 33 34 33 34 34 13 35 36 35 36 36 12 37 38 37 38 38 17 39 40 39 40 40 24 41 42 41 42 42 17 22 22 16 43 44 43 44 44 21 45 46 45 46 46 47 48 49 48 49 49 9 25 25 23 50 51 50 51 51 23 52 52 21 22 22 20 53 54 53 54 54 106.4228 105.3617 111.1451 108.2768 114.3374 107.3642 110.0663 113.5218 106.5161 107.9387 113.1411 106.6502 108.9112 110.7572 110.4661 107.7172 109.7546 109.8403 108.2471 113.3179 111.9952 105.3295 112.9224 104.9406 107.6066 109.0598 108.1582 111.5917 109.7608 108.014 110.2415 103.6853 113.3915 108.8995 111.821 111.9277 107.1654 112.2819 109.9924 109.5076 109.3695 108.6237 106.9103 113.326 110.7792 109.7909 107.7455 109.6192 105.2497 105.6666 112.5603 109.5079 112.0534 109.0098 107.9837 104.4442 112.5728 109.059 112.4755 110.9815 107.3133 111.6492 110.4306 109.0285 109.1867 109.3886 107.0422 114.7893 108.7213 108.9122 109.0539 109.0449 105.9527 116.9997 122.5793 120.3864 112.6385 108.0783 110.7084 108.706 109.984 106.4981 113.8855 108.3196 109.7586 108.3237 109.5027 106.7933 112.0994 111.0837 110.7616 107.6996 107.3745 107.6212 124.3764 118.1433 117.4782 111.37 111.5798 110.7518 108.7309 107.6814 106.5259 124.0842 120.3552 115.4912 122.1093 121.7666 116.0712 112.096 110.2272 110.418 108.8001 108.0847 107.0548 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A116 A117 A118 15 24 15 24 26 24 26 55 26 3 3 3 -1 -1 -2 179.7684 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 180.7858 179.8548 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 D163 D164 D165 D166 D167 D168 D169 D170 D171 D172 D173 D174 D175 D176 D177 D178 D179 D180 D181 D182 D183 D184 D185 D186 D187 D188 D189 D190 D191 D192 D193 56 56 56 9 9 9 10 10 10 15 15 15 5 5 5 10 10 10 15 15 15 5 5 5 9 9 9 15 15 15 5 5 5 9 9 9 10 10 10 4 4 4 12 12 12 27 27 27 4 4 4 6 6 6 27 27 27 5 5 5 14 14 14 28 28 28 5 5 5 7 7 7 28 28 28 6 6 6 11 11 11 29 29 29 6 6 6 8 8 8 29 29 29 7 7 18 18 19 19 7 7 7 16 16 16 19 19 19 7 7 7 16 16 16 18 18 18 4 4 4 20 20 20 30 30 30 4 4 13 13 30 30 4 4 4 31 31 31 32 32 32 5 5 5 35 35 35 36 36 36 6 6 6 39 39 39 40 40 40 8 8 8 22 22 22 8 8 17 17 8 8 8 45 45 45 46 46 46 1 1 1 9 9 9 18 18 50 50 51 51 16 16 52 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 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 25 25 25 5 5 5 5 5 5 5 5 5 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 15 15 15 6 6 6 6 6 6 6 6 6 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 14 14 14 14 14 14 14 14 14 8 8 8 8 8 8 8 8 8 11 11 11 11 11 11 11 11 11 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 13 13 13 13 13 13 13 13 13 20 20 20 20 20 20 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 17 17 17 17 17 17 17 17 17 22 22 22 22 21 21 21 21 21 21 21 21 21 25 25 25 25 25 25 23 23 23 23 23 23 23 23 23 20 53 54 6 12 27 6 12 27 6 12 27 13 20 30 13 20 30 13 20 30 11 31 32 11 31 32 11 31 32 24 41 42 24 41 42 24 41 42 7 14 28 7 14 28 7 14 28 13 35 36 13 35 36 13 35 36 8 11 29 8 11 29 8 11 29 17 39 40 17 39 40 17 39 40 16 18 19 16 18 19 16 18 19 10 33 34 10 33 34 10 33 34 17 22 17 22 17 22 21 45 46 21 45 46 21 45 46 47 48 49 47 48 49 47 48 49 12 37 38 12 37 38 12 37 38 1 25 1 25 1 25 7 33 34 7 33 34 7 33 34 9 37 38 9 37 38 9 37 38 16 43 44 16 43 44 16 43 44 14 43 44 14 43 44 23 52 23 52 23 50 51 23 50 51 23 50 51 3 53 54 3 53 54 2 22 2 22 2 22 2 21 2 3.7847 125.1346 -116.787 120.639 -4.5391 -121.3674 -3.7277 -128.9058 114.2659 -124.7358 110.086 -6.7423 25.7642 -95.7127 145.0795 148.0975 26.6206 -92.5871 -89.4917 149.0314 29.8236 -50.0241 -172.0624 70.7267 -169.1465 68.8152 -48.3957 69.9269 -52.1114 -169.3223 -178.3065 59.2685 -55.7473 -65.0044 172.5707 57.5549 60.0192 -62.4057 -177.4215 54.7956 176.616 -65.3444 176.3429 -61.8368 56.2029 -63.941 57.8793 175.919 -18.6944 -141.2955 98.5805 -144.1045 93.2944 -26.8296 97.4842 -25.1169 -145.2409 179.4467 -51.3904 65.2882 57.2099 -173.6272 -56.9486 -61.6892 67.4737 -175.8477 -178.7956 59.524 -57.8179 -56.3858 -178.0662 64.5919 63.4899 -58.1906 -175.5324 -51.2264 -170.5517 68.0229 -179.9147 60.7601 -60.6654 63.1654 -56.1599 -177.5853 -1.6806 -122.921 121.2602 127.6888 6.4485 -109.3703 -116.9782 121.7814 5.9626 47.3733 -134.7622 165.6981 -16.4374 -74.0767 103.7878 164.8982 44.3136 -71.9382 46.0167 -74.568 169.1803 -72.8454 166.57 50.3182 -60.9554 59.5901 179.1367 58.9123 179.4578 -60.9956 178.8354 -60.6191 58.9275 -37.6593 -159.9757 81.0384 84.8642 -37.4522 -156.4381 -154.8784 82.8052 -36.1808 73.5711 -106.9646 -43.2281 136.2362 -166.2316 13.2327 53.6885 176.62 -69.3471 176.0803 -60.9881 53.0448 -67.5707 55.3609 169.3938 35.2944 157.6745 -82.0879 158.2186 -79.4013 40.8363 -82.3157 40.0644 160.302 52.2751 -67.8354 175.8841 174.6715 54.561 -61.7195 -68.4928 171.3968 55.1163 -49.1351 70.6128 -173.1453 132.9509 -107.3012 8.9407 -4.8593 178.3089 172.935 -3.8968 -54.9717 -176.6797 64.8324 65.6106 -56.0973 -174.5852 -178.2747 60.0174 -58.4705 -2.9005 -125.0674 119.0146 177.6009 55.4341 -60.484 -150.1224 32.4817 -26.7746 155.8294 88.2712 -89.1248 179.1762 -3.4182 -3.8524 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 0 0 0 0 0 0 0 0 324.2442999999998 AuxInfo=1/0/N:26,19,24,17,14,12,13,21,11,15,18,10,22,25,16,23,6,7,5,9,20,8,4,3,2,1/CRV:1.2,3.2,13.3,15.3,16.3,21.3,25.1,26.1/rA:56O1O1OCCCCCCCCCCCCC3CCCC3CC3C3C2CC2HHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s7;s4;s4;s7s10;s5;s9s12;s6;s4;s8;s14s16;s8;s8;s1s9;s18;s16;s2s21s22;s15;s3s20;s24;s5;s6;s7;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s17;s17;s18;s18;s19;s19;s19;s21;s21;s22;s25;s25;s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4090206 0.1128190 0.1072595 -9.95250 -9.92980 -9.92796 -9.92673 -9.92322 -9.91716 -9.90796 -9.90718 -9.90426 -9.90303 -9.90293 -9.90080 -9.89761 -9.89657 -9.89555 -9.89473 -9.89438 -9.89427 -9.89362 -9.89150 -9.88433 -0.98577 -0.95225 -0.94866 -0.81129 -0.79262 -0.74365 -0.73916 -0.72672 -0.70253 -0.69361 -0.68310 -0.66754 -0.65713 -0.63830 -0.62535 -0.60864 -0.57877 -0.56504 -0.54731 -0.53963 -0.52532 -0.50315 -0.49591 -0.48546 -0.47544 -0.46656 -0.46177 -0.45600 -0.44901 -0.43866 -0.42618 -0.42483 -0.42247 -0.41325 -0.40890 -0.40270 -0.39391 -0.39005 -0.38384 -0.37572 -0.37367 -0.36729 -0.36638 -0.36035 -0.35559 -0.34424 -0.33905 -0.33705 -0.33130 -0.32552 -0.32194 -0.31504 -0.31330 -0.30831 -0.30385 -0.29952 -0.29685 -0.29348 -0.28776 -0.28609 -0.28197 -0.26904 -0.26005 -0.25421 -0.24947 -0.24794 -0.23331 -0.22872 -0.20443 -0.18298 -0.07481 -0.07047 0.00174 0.00660 0.02250 0.03544 0.05963 0.06749 0.07484 0.07837 0.08098 0.08619 0.09297 0.09593 0.09806 0.09948 0.11046 0.11382 0.11407 0.11724 0.12127 0.12714 0.13059 0.13119 0.13395 0.13801 0.14324 0.14840 0.15151 0.15452 0.15967 0.16050 0.16666 0.16928 0.16990 0.17278 0.17742 0.18170 0.18433 0.18759 0.18918 0.19789 0.19890 0.20207 0.20370 0.21168 0.21327 0.21723 0.22390 0.22911 0.23205 0.23790 0.24712 0.25110 0.25273 0.25855 0.26114 0.26311 0.27433 0.27657 0.27988 0.28619 0.29424 0.29692 0.30063 0.30705 0.30995 0.32328 0.32790 0.33099 0.33260 0.33785 0.34093 0.34309 0.35269 0.35990 0.37209 0.37829 0.37996 0.38889 0.39159 0.40057 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0.04274 0.01326 -0.00100 0.03161 0.02534 -0.11810 0.03542 0.00875 0.00036 -0.00119 0.00001 0.00025 0.00000 0.00000 0.00000 0.00020 0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00014 0.00002 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00002 -0.00005 -0.00005 0.00000 -0.00001 0.00000 0.00000 0.00000 0.05013 -0.00002 0.12580 -0.00195 0.00227 0.00652 -0.00291 0.00066 -0.03727 0.02114 -0.05141 -0.00963 -0.06218 -0.02651 -0.06609 0.00133 0.00534 -0.02341 0.08760 -0.01660 0.00290 -0.10743 -0.01108 0.01014 0.10378 -0.03418 -0.02301 -0.05821 0.05262 -0.00668 -0.04162 -0.07595 0.05648 0.00299 0.01453 -0.01881 -0.00272 0.01566 0.00540 -0.00915 -0.02284 0.00546 0.00872 0.03126 -0.00562 -0.00064 0.00117 0.01932 0.00111 0.00857 -0.03780 -0.03326 -0.01563 -0.00301 0.04257 -0.03650 -0.01710 0.01823 0.00678 0.09154 0.08479 0.00115 0.00155 0.00554 -0.00214 0.01206 -0.01100 -0.00059 -0.01050 0.00009 -0.00028 -0.01658 0.00584 -0.00212 0.00343 -0.12253 0.02992 -0.03885 0.05504 -0.00044 0.00760 -0.00146 0.01084 0.00288 0.01526 -0.00654 -0.00248 -0.05917 0.03401 -0.05743 -0.01609 0.00296 0.02033 -0.00548 -0.01641 0.01971 0.01083 -0.02305 -0.02925 0.01086 -0.00840 0.00316 0.00076 0.03137 0.01626 -0.00941 0.01379 -0.00831 -0.00415 -0.01470 0.00588 0.01763 0.02170 -0.00152 -0.00056 0.02590 0.00136 -0.03094 -0.00693 0.01173 -0.00176 0.02957 0.00587 0.02390 0.03690 -0.00077 0.01694 0.02498 0.00669 -0.03748 0.00699 -0.02407 0.01145 -0.00135 0.01809 -0.02081 0.00071 0.01924 -0.02664 -0.00645 -0.02387 0.00366 -0.00423 -0.00776 0.02043 0.03694 0.00414 -0.01575 0.02528 -0.01857 0.02038 0.05048 -0.03370 0.00423 0.00617 -0.01960 -0.01007 -0.01549 0.00103 -0.03361 0.02727 -0.01192 0.06565 0.07935 -0.05073 -0.02766 -0.00624 0.00061 -0.01739 0.02468 -0.02236 -0.03081 -0.00858 0.01475 0.03285 0.02042 0.02270 0.00389 0.03391 -0.02603 0.00725 -0.00436 0.04292 -0.00787 -0.08013 -0.03406 0.04171 -0.09549 0.00806 0.18246 -0.06985 0.12135 -0.13896 -0.26054 0.10974 -0.06079 -0.14561 -0.04951 -0.12093 -0.03201 0.06739 -0.06819 -0.09250 0.12801 -0.01480 -0.17517 0.04321 -0.41659 0.18001 -0.02537 -0.09971 -0.03906 0.08732 -0.28459 0.30695 0.18548 -0.02231 -0.01656 0.18462 0.13154 0.05036 0.21907 0.10411 -0.02205 -0.55579 0.06442 -0.08350 -0.28175 0.53893 0.27966 -0.30564 0.43627 0.03043 0.09564 -0.02098 -0.11876 0.13045 -0.01657 -0.05082 0.05833 -0.00154 -0.02780 -0.02021 0.01711 -0.06789 0.04858 0.13674 -0.06911 -0.01075 -0.01302 -0.17615 0.02758 -0.02406 0.00002 0.04912 -0.01093 -0.01514 -0.06776 -0.00290 -0.02378 0.01578 0.06292 -0.06587 0.11256 0.55547 0.16596 -0.05326 0.04103 0.00151 -0.00015 -0.00050 -0.00224 0.00296 -0.00015 -0.00457 -0.00380 0.00195 0.00183 -0.00054 0.00300 -0.00154 0.00239 -0.00179 0.00047 -0.00055 0.00518 0.00070 -0.00218 -0.00104 -0.00082 0.00155 -0.02336 -0.00038 0.00023 -0.00010 0.00053 0.00000 -0.00071 0.00000 0.00045 0.00002 0.00015 0.00003 0.00003 -0.00010 0.00064 0.00007 0.00001 -0.00009 -0.00011 -0.00001 0.00002 -0.00004 0.00036 0.00039 0.00002 -0.00002 0.00002 0.00002 0.00002 0.00360 -0.00013 0.00711 -0.00341 0.00202 0.00302 -0.00307 0.00111 -0.01258 0.00743 -0.01647 -0.00299 -0.02173 -0.00970 -0.02594 0.00098 0.00298 -0.01121 0.04422 -0.00771 0.00004 -0.06137 -0.00639 0.00701 0.06415 -0.02734 -0.02044 -0.03851 0.03242 -0.00546 -0.02735 -0.05538 0.05262 0.00494 0.01674 -0.02028 -0.00158 0.01296 -0.00051 -0.00323 -0.02538 -0.00191 0.00868 0.02261 -0.00758 -0.00076 0.00117 -0.00666 -0.00901 0.00588 -0.02888 -0.02026 -0.00781 -0.00357 0.03054 -0.02242 -0.01376 0.01041 0.00080 0.06438 0.06585 0.00146 -0.00393 0.00001 -0.00264 0.00646 -0.00511 -0.00076 -0.03559 0.00037 -0.00072 -0.00427 0.02825 -0.01571 0.01286 -0.87288 0.11217 -0.20881 0.31751 0.00524 0.16562 0.02266 -0.03625 -0.06720 0.07847 -0.10009 0.06060 -0.66014 0.30765 -0.63875 -0.17323 0.02883 0.36755 0.06207 -0.11181 0.34632 0.19601 -0.32192 -0.25238 0.07679 -0.02856 0.13760 0.04604 0.38274 0.15526 -0.06305 0.09105 -0.10630 -0.00401 -0.17345 0.04816 0.35648 0.12437 -0.02654 -0.08587 0.20696 -0.13404 -0.13390 -0.19865 0.00649 0.04531 0.03053 0.00305 0.08966 0.31109 -0.02665 0.10605 0.10461 -0.00268 -0.21696 0.14147 -0.04895 0.04061 -0.06727 -0.00828 0.07582 0.06435 0.22832 -0.17029 -0.12587 -0.02589 0.02776 -0.05588 0.09880 -0.02596 0.06304 0.09427 -0.06260 -0.09681 -0.06631 0.10843 0.40889 -0.08736 0.09007 -0.09724 0.52563 -0.16225 -0.01540 0.06693 -0.34632 -0.12521 -0.08148 0.22343 0.12233 -0.24857 -0.05322 0.02643 0.02671 0.02451 0.04892 0.02380 -0.15386 -0.07658 0.05243 0.04478 -0.07075 0.06696 0.04550 0.08548 -0.07674 0.00261 0.01528 -0.00725 -0.00189 -0.08973 -0.04814 -0.02266 -0.05542 0.02482 0.05006 0.02689 0.01689 -0.06142 0.04414 0.08024 -0.04828 0.16393 0.02292 -0.06582 -0.08559 0.28117 -0.27762 0.27636 0.11989 0.48971 0.95134 -0.21628 1.42755 -0.15228 0.30384 0.34974 0.08437 0.09808 0.54141 -0.33513 -0.18753 0.26119 -0.02742 -0.28457 -0.41686 -0.28373 -0.35409 0.02140 -0.12626 0.35862 -0.09084 0.32101 0.05846 -0.12414 -0.15384 0.07669 -0.27736 -0.15728 -0.25355 0.08459 0.05895 -0.07971 -0.04445 0.05212 0.04011 0.24269 0.12383 0.13073 0.05658 -0.12678 0.09291 -0.10888 -0.14295 0.20752 0.28425 -0.14958 -0.13758 -0.04455 -0.02666 0.14108 -0.16075 -0.05946 0.11227 -0.13361 0.10120 -0.11860 -0.11801 0.02815 0.01057 -0.39870 -0.14103 0.13692 -0.06237 -0.00388 0.00035 0.00132 0.00644 -0.00748 -0.01939 -0.00421 -0.00914 0.02281 -0.01687 0.00967 -0.02560 0.00638 -0.00963 0.00612 -0.00198 -0.00204 -0.01227 0.00248 0.02007 0.00451 0.01230 -0.00302 -0.01454 0.00961 -0.00058 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 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 6 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 7 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 8 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 9 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 10 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 11 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 12 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 13 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 14 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 15 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 19 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 20 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 21 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 22 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 23 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 24 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 25 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 26 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 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 48 H 1S 2S 49 H 1S 2S 50 H 1S 2S 51 H 1S 2S 52 H 1S 2S 53 H 1S 2S 54 H 1S 2S 55 H 1S 2S 56 H 1S 2S 1 -4.9065 -0.0908 1.7647 5.2150 -188.8506 -152.5909 -161.7426 -7.4972 -16.5686 -4.8007 -21.1226 15.1371 5.9854 -7.4972 -16.5686 -4.8007 -444.8446 16.3632 37.2885 9.1495 -37.6131 -15.4506 47.7086 -7.7794 1.6888 -7.1118 -12096.2577 -2105.9941 -1596.1099 -225.2375 -231.2676 -122.8466 0.6923 -110.1076 35.5536 -1943.4308 -2092.1991 -638.7725 12.2404 15.1630 62.8107 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 324.2442999999998 AuxInfo=1/0/N:26,19,24,17,14,12,13,21,11,15,18,10,22,25,16,23,6,7,5,9,20,8,4,3,2,1/CRV:1.2,3.2,13.3,15.3,16.3,21.3,25.1,26.1/rA:56O1O1OCCCCCCCCCCCCC3CCCC3CC3C3C2CC2HHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s7;s4;s4;s7s10;s5;s9s12;s6;s4;s8;s14s16;s8;s8;s1s9;s18;s16;s2s21s22;s15;s3s20;s24;s5;s6;s7;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s17;s17;s18;s18;s19;s19;s19;s21;s21;s22;s25;s25;s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3744420 0.1124977 0.1084643 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= 301 301 304 304 305 MxSgAt= 56 MxSgA2= 56. 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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 56 56 56 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= 23436 NPrTT= 118006 LenC2= 20447 LenP2D= 63804. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 320 RedAO= T EigKep= 7.38D-04 NBF= 320 NBsUse= 320 1.00D-06 EigRej= -1.00D+00 NBFU= 320 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= 302 304 305 305 305 MxSgAt= 56 MxSgA2= 56. 1 Closed 1 0 1 -1117.94782398258 -1118.14605735160 -0.198233369016 -1118.35380036044 -0.207743008848 -1115.28999234344 3.063808017007 -1118.04696262872 -2.756970285286 -1118.45983167658 -0.412869047853 -1118.50105575945 -0.041224082875 -1118.51472052332 -0.013664763870 -1118.51534521216 -0.000624688840 -1118.51535154456 -0.000006332403 -1118.51536552949 -0.000013984931 -1118.51583445878 -0.000468929286 -1118.51584852921 -0.000014070431 -1118.51584734710 0.000001182117 -1118.51584869477 -0.000001347679 -1118.51584871796 -0.000000023185 -1118.51584871965 -0.000000001691 -1118.51584872004 -0.000000000387 -1118.51584872007 -0.000000000035 -1118.51584872004 0.000000000030 -1118.51584872 20 1.114401422407e+03 -7.566096983900e+03 2.852266871996e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 329702 IEndB= 329702 NGot= 402653184 MDV= 402442843 LenX= 402442843 LenY= 402340002 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. -1.93036747e+00 -3.57420490e-02 6.94280728e-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 48 49 50 51 52 53 54 55 56 8 8 8 6 6 6 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 1 1 1 1 0.000880742 -0.036109991 -0.026484550 0.056717799 0.010079587 0.017235870 -0.002518012 0.010674395 -0.030294120 0.003448845 0.008500733 0.000048044 0.006070420 -0.005813777 -0.008772867 0.002275673 0.005036871 0.005438315 0.001490488 -0.004708001 -0.000324355 -0.000223357 0.007001064 0.002948636 -0.016313004 -0.005320633 0.008211818 0.004323463 -0.007422524 -0.006815661 0.003585465 0.005574648 0.002784462 0.005907501 -0.010933822 0.006581184 0.001016760 -0.009654269 0.004285396 -0.008480823 -0.000594718 -0.002404134 -0.004148309 0.001323497 -0.000826669 -0.022416506 -0.010730039 -0.002133185 0.004590306 0.000585491 0.001194992 -0.006198440 -0.002669829 -0.001365323 -0.000974164 -0.002769886 -0.003349322 0.006274449 0.028135565 0.018885239 -0.003622229 0.004821890 0.004558063 0.012164533 0.018378700 -0.003977381 -0.030311212 -0.018041902 -0.007548564 0.035886647 -0.034378346 0.020997836 -0.003022820 -0.005467701 0.002553872 -0.038042784 0.046266458 -0.014700631 0.003975818 0.003843219 0.005838992 -0.003710636 -0.003437247 -0.006620154 0.005199670 0.000005304 0.006875538 0.000670652 0.013487818 0.001385933 -0.005846677 0.005798522 0.001582094 -0.003288679 -0.006324815 -0.003385531 0.003487107 -0.000015517 -0.007497459 0.000073656 0.005806219 0.002934813 0.003242264 -0.005531145 0.004139796 -0.001321972 -0.000390544 -0.005851348 -0.005442828 -0.001861327 -0.001898161 -0.001396743 0.001680768 0.006839175 -0.004493887 -0.005473934 0.001131832 0.000708802 0.003632296 0.006588997 0.006898945 0.001927678 -0.000384469 -0.002062883 -0.003995436 0.005146910 -0.002861302 -0.003341612 -0.007678507 0.006593317 -0.001883128 0.001304398 -0.001622455 0.000455783 0.006476181 -0.005597414 0.002363543 -0.003652587 -0.003809459 -0.005391169 -0.000731200 -0.003702804 0.005691144 -0.002005714 0.005384784 -0.001155141 -0.000808389 0.006028577 0.004092007 -0.001785593 0.001425132 -0.001366041 -0.007841203 0.004724773 -0.004569826 0.003918943 0.003873082 0.006878605 0.001198827 -0.005065382 0.006935156 0.015169598 -0.004223520 0.005284687 -0.001684200 -0.006201371 -0.014909328 -0.005434477 0.056717799 0.011114954 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -1118.54700777611 -1118.54698043609 0.000027340011 -1118.54699604448 -0.000015608385 -1118.54700258210 -0.000006537622 -1118.54699961609 0.000002966015 -1118.54700538434 -0.000005768249 -1118.54700592153 -0.000000537193 -1118.54700592599 -0.000000004459 -1118.54700592690 -0.000000000911 -1118.54700592694 -0.000000000043 -1118.54700592700 -0.000000000058 -1118.54700593 11 1.112743341694e+03 -7.515598405566e+03 2.827732273598e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 329702 IEndB= 329702 NGot= 402653184 MDV= 402442843 LenX= 402442843 LenY= 402340002 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.783577 -18.759519 -18.739123 -10.007829 -9.975040 -9.960740 -9.941049 -9.938238 -9.932808 -9.931787 -9.928051 -9.927704 -9.915540 -9.914123 -9.913096 -9.912443 -9.910118 -9.909026 -9.904630 -9.904518 -9.904129 -9.903735 -9.902751 -9.900661 -9.898891 -9.896902 -0.982132 -0.930828 -0.927948 -0.806974 -0.789062 -0.741699 -0.735347 -0.723140 -0.701904 -0.693170 -0.680749 -0.665040 -0.655313 -0.636406 -0.627546 -0.610962 -0.579573 -0.566374 -0.549234 -0.541937 -0.525566 -0.505299 -0.496934 -0.488115 -0.475675 -0.469526 -0.460361 -0.448763 -0.439716 -0.434291 -0.428151 -0.424821 -0.422624 -0.412467 -0.409110 -0.401056 -0.395178 -0.390276 -0.385738 -0.377637 -0.372428 -0.366935 -0.363943 -0.360210 -0.355402 -0.345865 -0.342257 -0.337285 -0.333248 -0.327145 -0.325529 -0.320340 -0.316622 -0.312134 -0.311346 -0.305696 -0.296976 -0.293990 -0.291938 -0.287630 -0.286607 -0.272325 -0.263407 -0.258252 -0.249766 -0.248569 -0.229205 -0.228244 -0.223140 -0.186385 -0.089166 -0.085996 -0.011820 -0.004592 0.016738 0.045613 0.055242 0.062245 0.066218 0.073829 0.077483 0.081112 0.084688 0.087932 0.090837 0.095261 0.100406 0.104590 0.110497 0.112323 0.113946 0.119585 0.121481 0.124313 0.128605 0.131627 0.135075 0.137855 0.143960 0.147772 0.150241 0.153099 0.156395 0.158522 0.161796 0.166060 0.168986 0.171734 0.175579 0.177737 0.181282 0.186797 0.190160 0.194398 0.195523 0.198490 0.203148 0.206753 0.210337 0.218683 0.221422 0.230224 0.233767 0.236276 0.240710 0.244193 0.251221 0.256995 0.263915 0.267863 0.271525 0.277141 0.281034 0.289795 0.296200 0.298801 0.303455 0.309926 0.315416 0.316786 0.321940 0.324031 0.333860 0.339785 0.342638 0.352957 0.363066 0.364408 0.367808 0.372108 0.375147 0.383593 0.386734 0.389128 0.396800 0.400644 0.407067 0.412932 0.415545 0.419727 0.425168 0.437244 0.438785 0.444659 0.451198 0.458065 0.462307 0.468296 0.480594 0.481919 0.488396 0.491446 0.496350 0.506834 0.513668 0.518920 0.525623 0.532693 0.538192 0.549798 0.554814 0.562609 0.566110 0.576458 0.584463 0.593075 0.598241 0.612423 0.621211 0.632365 0.636370 0.646513 0.654972 0.668146 0.676847 0.682819 0.697206 0.707680 0.725692 0.741570 0.765708 0.786529 0.796401 0.802708 0.812309 0.825145 0.835290 0.849233 0.859901 0.866437 0.874298 0.884487 0.893034 0.898270 0.909831 0.929337 0.933829 0.946554 0.950306 0.956633 0.962079 0.968953 0.971511 0.983649 0.998169 1.008671 1.015057 1.018956 1.042694 1.061749 1.067712 1.074423 1.087596 1.102250 1.123869 1.126554 1.130947 1.139156 1.143007 1.149431 1.155316 1.171453 1.177679 1.182014 1.188845 1.197734 1.211025 1.232871 1.251551 1.265383 1.287816 1.295887 1.306762 1.327068 1.339608 1.348819 1.382725 1.395748 1.413579 1.431104 1.466873 1.495479 1.556255 1.581934 1.653124 1.698716 1.722837 1.738392 22.366142 22.407279 22.446932 22.501711 22.543144 22.572118 22.587640 22.595272 22.614820 22.625750 22.634557 22.648353 22.668708 22.670422 22.680769 22.682039 22.692277 22.712854 22.741063 22.750459 22.753500 22.762026 22.784517 41.491466 41.544593 41.568253 29.116832 29.118643 29.117293 15.954864 15.956598 15.956832 15.959359 15.955852 15.954892 15.958340 15.952162 15.955353 15.955182 15.957787 15.956923 15.957185 15.955917 15.956765 15.955763 15.956749 15.956892 15.956721 15.952745 15.955257 15.956820 15.955768 2.539988 2.620879 2.644777 1.293994 1.359057 1.407415 1.407898 1.471234 1.501000 1.571355 1.524823 1.620092 1.527340 1.443095 1.535681 1.503395 1.407793 1.342748 1.500166 1.465300 1.366224 1.504583 1.391581 1.254587 1.362666 1.197539 1.063416 1.119086 1.141927 1.266079 1.401530 1.278708 1.122215 1.089593 1.150499 1.293633 1.087424 1.257592 1.221382 1.331338 1.475654 1.304578 1.300042 1.215299 1.355236 1.251458 1.434617 1.600036 1.512781 1.359393 1.280485 1.407969 1.298672 1.439849 1.429487 1.246525 1.348945 1.413914 1.369265 1.844061 1.678825 1.237884 1.511277 1.475755 1.249358 1.193492 2.126193 1.541531 2.207629 2.328331 2.033682 1.814255 1.338281 1.276206 1.644680 1.435045 1.243153 1.154030 1.183441 1.256972 1.208213 1.186291 1.293302 1.199482 1.193825 1.106014 1.267223 1.250186 1.222931 1.197388 1.108227 1.347564 1.254216 1.295535 1.247009 1.233729 1.268246 1.299043 1.202128 1.384233 1.446729 1.218691 1.171512 1.292610 1.533498 1.433427 1.387580 1.295400 1.345155 1.238981 1.361050 1.383299 1.423350 1.363168 1.368192 1.305080 1.378988 1.440257 1.211349 1.559150 1.499351 1.419436 1.625457 1.377839 1.732769 1.854129 1.342279 1.538671 1.528369 1.786978 1.433996 1.855707 1.653495 1.490497 1.689295 1.686303 1.668890 1.566846 1.776548 1.698192 1.546213 1.706963 2.102770 1.925668 1.888737 2.126782 1.968152 2.159410 2.228010 1.828263 2.195946 1.925346 1.968370 2.091091 2.138753 2.077618 2.045512 1.720061 2.276687 2.028892 2.232593 2.002695 2.168537 2.311696 2.063535 2.086094 2.088847 2.183493 2.238389 2.089543 2.301566 2.040433 2.350053 2.217471 2.349680 2.089418 1.902055 2.056060 2.371176 2.173783 1.974734 1.916255 1.910878 2.404594 2.050218 2.137828 1.923554 2.166845 1.967832 2.043930 2.141572 1.986234 2.021915 2.156870 2.124279 2.103872 2.178897 2.080882 2.516578 2.102599 2.121638 2.541650 2.563090 2.376120 2.415779 2.772379 2.916060 2.593305 2.754955 2.494335 2.629321 2.672197 2.829260 2.882494 2.923884 2.825744 2.982043 2.951742 2.923121 2.903617 2.893817 2.735553 2.969859 2.936770 2.952851 2.899174 2.950615 3.064620 2.967928 2.899813 2.874421 2.911273 2.860909 2.878417 2.819429 2.751559 2.817122 2.801315 2.814532 2.717111 2.806201 2.794981 2.750262 2.801325 2.786423 2.904782 2.866861 2.857412 2.838802 2.752307 2.786078 3.218984 2.846138 2.834034 2.952321 2.834048 3.119402 2.957075 2.930517 2.979079 3.013736 3.201609 3.241169 3.353089 4.619617 4.814890 4.077352 4.956663 57.410779 57.395780 57.397632 57.416331 57.408523 57.399621 57.405780 57.407516 57.403924 57.399324 57.397978 57.404300 57.381050 57.384754 57.391923 57.393894 57.401384 57.385066 57.393402 57.398914 57.434020 57.394618 57.403424 105.851218 105.841446 105.842979 1.112743341694D+03 PT23507.100S Sat Jul 8 11:37:21 2017 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 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 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|24 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|25 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|26 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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|48 H 1S|2S|49 H 1S|2S|50 H 1S|2S|51 H 1S|2S|52 H 1S|2S|53 H 1S|2S|54 H 1S|2S|55 H 1S|2S|56 H 1S|2S 1.13248 0.85917 0.97512 0.84806 1.05543 1.08701 1.24913 0.35918 0.24494 0.35913 1.13247 0.85921 0.97361 0.84708 1.07128 1.27699 1.04573 0.22052 0.42443 0.35797 1.13228 0.85953 0.94556 0.88788 1.22963 1.16352 1.07656 0.41782 0.34581 0.34584 1.17437 0.81379 0.72331 0.56137 0.84329 0.86951 0.86230 -0.10047 -0.03092 -0.12251 1.17430 0.81387 0.71847 0.62186 0.87676 0.85907 0.89663 0.05125 0.02681 0.12609 1.17429 0.81392 0.71847 0.60763 0.86915 0.86985 0.89343 0.05197 0.03006 0.11340 1.17433 0.81391 0.71721 0.61775 0.85472 0.86902 0.89245 0.00307 0.06524 0.12441 1.17434 0.81374 0.71649 0.61177 0.86613 0.86295 0.85443 0.02716 -0.04276 -0.07883 1.17422 0.81388 0.72177 0.62419 0.89010 0.90140 0.88227 0.10590 0.07437 0.06583 1.17421 0.81399 0.71781 0.69500 0.88248 0.92433 0.88573 0.11762 0.19654 0.15382 1.17421 0.81408 0.71788 0.66082 0.86544 0.89943 0.92310 0.06562 0.19710 0.20625 1.17424 0.81412 0.72381 0.62800 0.85429 0.89212 0.94155 0.08356 0.15137 0.29004 1.17425 0.81410 0.72353 0.64531 0.89877 0.87528 0.90890 0.16171 0.13001 0.19522 1.17424 0.81410 0.72201 0.64186 0.87171 0.91538 0.89569 0.07459 0.22322 0.17193 1.17421 0.81401 0.72941 0.68249 0.91911 0.87886 0.91574 0.24205 0.14359 0.17791 1.17448 0.81373 0.76051 0.38203 0.93251 0.88618 0.73162 -0.16786 -0.16285 0.09592 1.17418 0.81409 0.71944 0.69526 0.90327 0.88766 0.91757 0.18866 0.13865 0.21807 1.17425 0.81413 0.72118 0.64119 0.87194 0.88084 0.92635 0.05564 0.14899 0.26156 1.17420 0.81419 0.72233 0.72432 0.93153 0.92980 0.86540 0.25114 0.24855 0.15378 1.17461 0.81361 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6PY 6PZ 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 48 H 1S 2S 49 H 1S 2S 50 H 1S 2S 51 H 1S 2S 52 H 1S 2S 53 H 1S 2S 54 H 1S 2S 55 H 1S 2S 56 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 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 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|19 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|24 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|25 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|26 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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|48 H 1S|2S|49 H 1S|2S|50 H 1S|2S|51 H 1S|2S|52 H 1S|2S|53 H 1S|2S|54 H 1S|2S|55 H 1S|2S|56 H 1S|2S 1.13254 0.85913 0.97385 0.87193 1.07984 1.04314 1.24393 0.36227 0.28320 0.39337 1.13255 0.85914 0.97675 0.86699 1.05345 1.28623 1.02064 0.22686 0.43964 0.37339 1.13234 0.85950 0.94731 0.89773 1.25913 1.15104 1.03294 0.46859 0.36239 0.33036 1.17446 0.81382 0.72316 0.57217 0.83013 0.85678 0.84939 -0.08763 -0.00807 -0.11139 1.17435 0.81390 0.71726 0.63514 0.87047 0.84930 0.88853 0.05503 0.04490 0.10868 1.17431 0.81394 0.71753 0.61605 0.86524 0.86332 0.89309 0.04109 0.03165 0.12653 1.17436 0.81393 0.71631 0.63325 0.85528 0.85877 0.88529 0.01944 0.05100 0.10399 1.17437 0.81376 0.71647 0.61620 0.86276 0.85751 0.84940 0.03556 -0.02661 -0.06012 1.17430 0.81389 0.71953 0.65673 0.89036 0.88965 0.85514 0.12532 0.09379 0.00883 1.17425 0.81402 0.71662 0.71104 0.87270 0.91629 0.88192 0.11853 0.18672 0.15057 1.17426 0.81412 0.71759 0.67374 0.85800 0.88720 0.91920 0.06860 0.18886 0.22220 1.17429 0.81417 0.72293 0.64920 0.84003 0.88640 0.93666 0.08190 0.14484 0.27640 1.17431 0.81414 0.72307 0.66321 0.88926 0.87007 0.89363 0.14211 0.15220 0.19278 1.17428 0.81412 0.72029 0.65676 0.86638 0.90678 0.88783 0.08280 0.20702 0.16763 1.17426 0.81405 0.72679 0.69193 0.91016 0.87227 0.90638 0.22696 0.14042 0.17002 1.17453 0.81376 0.76130 0.40365 0.93326 0.88331 0.70804 -0.18074 -0.16887 0.12797 1.17423 0.81411 0.71848 0.70333 0.89821 0.88222 0.90437 0.19814 0.14330 0.20741 1.17429 0.81415 0.72007 0.65459 0.86284 0.88032 0.91723 0.06729 0.14834 0.22645 1.17423 0.81421 0.72081 0.73114 0.92337 0.92545 0.85996 0.23549 0.24401 0.15686 1.17470 0.81367 0.79649 0.39275 0.74558 0.77225 0.91362 0.12036 0.06918 0.09408 1.17424 0.81411 0.72205 0.66460 0.87836 0.90123 0.90697 0.10941 0.19754 0.18951 1.17438 0.81392 0.74521 0.63036 0.92298 0.89871 0.80242 0.12159 0.21533 0.26214 1.17465 0.81389 0.79263 0.35145 0.85899 0.88385 0.71499 0.02850 0.05463 0.14769 1.17458 0.81385 0.76081 0.28495 0.84635 0.88451 0.79559 0.06601 0.00598 0.15816 1.17434 0.81414 0.74267 0.62686 0.93633 0.93016 0.75179 0.16925 0.15992 0.07342 1.17452 0.81406 0.73871 0.56817 0.86553 0.89672 0.79415 0.22244 0.19442 0.25627 0.51904 0.25994 0.51679 0.23325 0.51647 0.26622 0.51406 0.23476 0.51271 0.25619 0.51612 0.25836 0.51693 0.27152 0.51781 0.25699 0.51626 0.25462 0.51216 0.23350 0.51336 0.24693 0.51510 0.26586 0.51673 0.24750 0.51336 0.27584 0.50825 0.23959 0.50852 0.24448 0.50914 0.26552 0.51368 0.25032 0.51348 0.27259 0.51578 0.27082 0.51281 0.26161 0.51222 0.26277 0.51146 0.25385 0.50862 0.24551 0.50790 0.26130 0.51115 0.23338 0.50666 0.25285 0.50619 0.26662 0.49840 0.21883 0.46981 0.16586 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 48 49 50 51 52 53 54 55 56 O O O C C C 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 H H H H -0.243196 -0.235631 -0.441330 0.387186 -0.157564 -0.142737 -0.111627 0.160711 -0.227551 -0.542661 -0.523780 -0.526807 -0.514781 -0.483896 -0.633223 0.543791 -0.643809 -0.465557 -0.785531 0.107321 -0.558021 -0.587047 0.178734 0.209210 -0.378875 -0.524994 0.221023 0.249956 0.217306 0.251173 0.231101 0.225524 0.211548 0.225204 0.229125 0.254344 0.239702 0.219040 0.235770 0.210797 0.252159 0.247000 0.225339 0.236008 0.213938 0.213398 0.225579 0.225019 0.234689 0.245872 0.230799 0.255479 0.240488 0.227186 0.282762 0.364339 0.00000 -1.67652579e+00 5.55590684e-02 1.07527386e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.2613 0.1412 2.7331 5.0644 -207.7477 -150.7915 -162.3795 -5.4026 -16.2308 -4.3029 -34.1081 22.8481 11.2600 -5.4026 -16.2308 -4.3029 -381.2187 21.0315 51.0370 0.3935 3.9601 67.4108 63.4819 -7.5277 3.7151 2.0529 -13169.6789 -2122.0012 -1880.7733 -158.1730 -144.2218 -55.5974 -61.7564 8.7591 -34.4206 -1851.6659 -2252.4738 -681.4641 -47.6767 76.1541 85.9442 0 -1118.5470059 8.641E-9 3.226E-5 -25.3585529,16.9869916,8.3715613,-4.0166971,-12.0672279,-3.1990645 C01 [X(C23H30O3)] -1.6765258 0.0555591 1.0752739 @ 0.000074771 -0.000107387 -0.000092738 -0.000025295 -0.000012802 0.000000162 -0.000036029 0.000121820 -0.000033842 -0.000017340 -0.000028823 -0.000002114 -0.000015456 0.000035236 0.000010427 -0.000015892 0.000014392 -0.000004141 0.000012764 0.000001119 -0.000018935 -0.000031503 -0.000007654 0.000012920 0.000019304 0.000012423 -0.000089821 0.000033330 -0.000015527 0.000023754 0.000022096 -0.000003162 0.000003079 -0.000026979 -0.000019082 0.000007032 0.000014262 -0.000084705 -0.000003597 0.000004186 -0.000003731 -0.000017667 -0.000000478 0.000016446 0.000013029 0.000002806 0.000006716 0.000020703 -0.000021462 -0.000012177 0.000016988 0.000003286 -0.000003438 0.000005514 0.000010426 -0.000017882 0.000012585 -0.000105614 0.000138362 0.000158680 -0.000014477 -0.000007959 0.000004405 -0.000036866 -0.000012111 0.000002515 0.000059573 -0.000007408 0.000025135 0.000068300 -0.000066088 0.000025551 -0.000007632 -0.000024391 -0.000077361 -0.000051621 0.000054722 -0.000050150 0.000000854 0.000013791 -0.000000713 0.000000552 0.000003808 -0.000007661 -0.000001569 -0.000000120 0.000012780 0.000003126 -0.000004423 -0.000008784 -0.000010283 0.000007436 -0.000008085 0.000008879 -0.000006038 -0.000002081 0.000002064 0.000015759 -0.000013235 0.000005774 0.000001738 -0.000001919 -0.000016432 0.000010019 0.000001935 0.000005613 0.000001840 -0.000000569 -0.000010479 0.000022445 0.000002878 -0.000003816 0.000026147 0.000009875 -0.000005809 0.000001571 0.000002958 -0.000008265 0.000004442 0.000010987 0.000004363 -0.000005861 -0.000007439 -0.000005315 0.000009793 -0.000007292 0.000002413 -0.000007585 -0.000001022 -0.000000111 -0.000000717 0.000011080 0.000006693 0.000000943 0.000002663 0.000003424 -0.000001073 -0.000001746 0.000004026 -0.000002837 -0.000000346 0.000003735 -0.000002596 0.000000613 0.000004317 0.000002083 0.000008938 0.000005649 -0.000002680 0.000012799 0.000017882 -0.000004133 0.000004873 0.000010124 -0.000003032 0.000012444 -0.000006451 0.000011266 -0.000017871 0.000011199 0.000004007 0.000020090 -0.000005127 0.000026300 0.000003952 0.000054512 -0.000089208 0.000007785 324.2442999999998 AuxInfo=1/0/N:26,19,24,17,14,12,13,21,11,15,18,10,22,25,16,23,6,7,5,9,20,8,4,3,2,1/CRV:1.2,3.2,13.3,15.3,16.3,21.3,25.1,26.1/rA:56O1O1OCCCCCCCCCCCCC3CCCC3CC3C3C2CC2HHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s7;s4;s4;s7s10;s5;s9s12;s6;s4;s8;s14s16;s8;s8;s1s9;s18;s16;s2s21s22;s15;s3s20;s24;s5;s6;s7;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s17;s17;s18;s18;s19;s19;s19;s21;s21;s22;s25;s25;s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2073 CBGUSER 000133558 EM64L-G09RevD.01 8-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 162 C1[X(C23H30O3)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 324.2442999999998 0 1 AuxInfo=1/0/N:26,19,24,17,14,12,13,21,11,15,18,10,22,25,16,23,6,7,5,9,20,8,4,3,2,1/CRV:1.2,3.2,13.3,15.3,16.3,21.3,25.1,26.1/rA:56O1O1OCCCCCCCCCCCCC3CCCC3CC3C3C2CC2HHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s7;s4;s4;s7s10;s5;s9s12;s6;s4;s8;s14s16;s8;s8;s1s9;s18;s16;s2s21s22;s15;s3s20;s24;s5;s6;s7;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s17;s17;s18;s18;s19;s19;s19;s21;s21;s22;s25;s25;s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-23377.inp" -scrdir="/scratch/" chk=000133558-Freq.chk nprocshared=4 mem=3GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000133558 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 16 16 16 12 12 12 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 1 1 1 1 15.9949146 15.9949146 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 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 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 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 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 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| 0.001090 0.000190 0.118687 0.023119 0.000450 0.000300 0.001800 0.001200 NO YES NO NO -4.375252e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2456.5758002435 320 744 320 96 96 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 56 56 56 1.00e+00 60 F C23H30O3 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 0 0 0 0 0 0 0 0 0 324.2442999999998 AuxInfo=1/0/N:26,19,24,17,14,12,13,21,11,15,18,10,22,25,16,23,6,7,5,9,20,8,4,3,2,1/CRV:1.2,3.2,13.3,15.3,16.3,21.3,25.1,26.1/rA:56O1O1OCCCCCCCCCCCCC3CCCC3CC3C3C2CC2HHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s6;s7;s4;s4;s7s10;s5;s9s12;s6;s4;s8;s14s16;s8;s8;s1s9;s18;s16;s2s21s22;s15;s3s20;s24;s5;s6;s7;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s17;s17;s18;s18;s19;s19;s19;s21;s21;s22;s25;s25;s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3744420 0.1124977 0.1084643 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= 23436 NPrTT= 118006 LenC2= 20447 LenP2D= 63804. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 320 RedAO= T EigKep= 7.38D-04 NBF= 320 NBsUse= 320 1.00D-06 EigRej= -1.00D+00 NBFU= 320 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= 307 309 309 309 309 MxSgAt= 56 MxSgA2= 56. 1 Closed 1 0 1 -1118.01964175197 -1118.06166024944 -0.042018497465 -1115.47390161434 2.587758635096 -1118.37624103027 -2.902339415933 -1118.32851767682 0.047723353452 -1118.38931977281 -0.060802095984 -1118.53838270232 -0.149062929516 -1118.54610516702 -0.007722464694 -1118.54603706148 0.000068105539 -1118.54631466199 -0.000277600509 -1118.54633390647 -0.000019244481 -1118.54678672630 -0.000452819831 -1118.54573109278 0.001055633520 -1118.54687069726 -0.001139604482 -1118.54693730967 -0.000066612407 -1118.54693861633 -0.000001306666 -1118.54693923615 -0.000000619817 -1118.54693929732 -0.000000061164 -1118.54693930766 -0.000000010345 -1118.54693930858 -0.000000000919 -1118.54693930863 -0.000000000049 -1118.54693930872 -0.000000000090 -1118.54693931 22 1.112743797009e+03 -7.515599285230e+03 2.827732748668e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 330238 IEndB= 330238 NGot= 402653184 MDV= 402442307 LenX= 402442307 LenY= 402339466 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 56. Will process 57 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=111111 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= 402652300 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 770000000 NMat= 171 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 171 NMatS0= 171 NMatT0= 0 NMatD0= 171 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 171 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 168 vectors produced by pass 0 Test12= 2.15D-14 1.00D-09 XBig12= 4.57D+02 1.39D+01. AX will form 168 AO Fock derivatives at one time. 168 vectors produced by pass 1 Test12= 2.15D-14 1.00D-09 XBig12= 2.35D+02 3.62D+00. 168 vectors produced by pass 2 Test12= 2.15D-14 1.00D-09 XBig12= 7.13D-01 9.51D-02. 168 vectors produced by pass 3 Test12= 2.15D-14 1.00D-09 XBig12= 2.82D-04 1.57D-03. 88 vectors produced by pass 4 Test12= 2.15D-14 1.00D-09 XBig12= 3.15D-08 2.27D-05. 7 vectors produced by pass 5 Test12= 2.15D-14 1.00D-09 XBig12= 1.60D-12 8.65D-08. 2 vectors produced by pass 6 Test12= 2.15D-14 1.00D-09 XBig12= 1.92D-15 2.20D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 769 with 171 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 245.71 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 309.914 9.675 227.363 6.516 12.575 199.854 508.662 17.326 410.700 32.844 15.488 357.685 (Enter /mnt/data/applications/G09/g09/l716.exe) PT16801.400S Sat Jul 8 12:47:48 2017 -18.78358 -18.75953 -18.73912 -10.00784 -9.97503 -9.96074 -9.94104 -9.93823 -9.93279 -9.93177 -9.92804 -9.92773 -9.91554 -9.91410 -9.91308 -9.91246 -9.91013 -9.90900 -9.90462 -9.90452 -9.90412 -9.90372 -9.90273 -9.90066 -9.89889 -9.89689 -0.98213 -0.93082 -0.92795 -0.80697 -0.78906 -0.74169 -0.73535 -0.72314 -0.70190 -0.69316 -0.68075 -0.66504 -0.65531 -0.63641 -0.62755 -0.61095 -0.57957 -0.56637 -0.54924 -0.54193 -0.52556 -0.50530 -0.49693 -0.48811 -0.47568 -0.46953 -0.46036 -0.44877 -0.43971 -0.43429 -0.42815 -0.42482 -0.42262 -0.41247 -0.40911 -0.40106 -0.39517 -0.39027 -0.38574 -0.37764 -0.37243 -0.36693 -0.36394 -0.36021 -0.35540 -0.34586 -0.34225 -0.33728 -0.33325 -0.32714 -0.32552 -0.32033 -0.31662 -0.31213 -0.31134 -0.30569 -0.29697 -0.29398 -0.29194 -0.28763 -0.28661 -0.27232 -0.26340 -0.25825 -0.24977 -0.24857 -0.22920 -0.22823 -0.22315 -0.18638 -0.08917 -0.08599 -0.01182 -0.00458 0.01674 0.04562 0.05526 0.06225 0.06623 0.07385 0.07749 0.08112 0.08470 0.08794 0.09084 0.09527 0.10041 0.10460 0.11054 0.11232 0.11397 0.11960 0.12149 0.12433 0.12862 0.13164 0.13509 0.13787 0.14396 0.14778 0.15024 0.15311 0.15640 0.15854 0.16180 0.16607 0.16899 0.17174 0.17558 0.17774 0.18128 0.18681 0.19017 0.19441 0.19553 0.19850 0.20315 0.20676 0.21035 0.21869 0.22143 0.23023 0.23377 0.23629 0.24071 0.24420 0.25123 0.25700 0.26393 0.26787 0.27153 0.27715 0.28105 0.28981 0.29621 0.29881 0.30346 0.30994 0.31542 0.31680 0.32196 0.32404 0.33388 0.33980 0.34265 0.35298 0.36307 0.36442 0.36784 0.37211 0.37516 0.38361 0.38676 0.38913 0.39681 0.40065 0.40708 0.41295 0.41555 0.41976 0.42519 0.43726 0.43882 0.44467 0.45123 0.45807 0.46233 0.46830 0.48059 0.48194 0.48840 0.49147 0.49637 0.50686 0.51367 0.51894 0.52564 0.53271 0.53819 0.54980 0.55481 0.56264 0.56613 0.57647 0.58460 0.59308 0.59825 0.61253 0.62123 0.63238 0.63635 0.64652 0.65498 0.66817 0.67687 0.68278 0.69724 0.70768 0.72568 0.74157 0.76573 0.78653 0.79639 0.80270 0.81230 0.82516 0.83529 0.84925 0.85990 0.86645 0.87429 0.88448 0.89305 0.89827 0.90982 0.92934 0.93383 0.94657 0.95032 0.95664 0.96208 0.96897 0.97150 0.98365 0.99820 1.00868 1.01506 1.01896 1.04271 1.06176 1.06771 1.07444 1.08759 1.10232 1.12389 1.12654 1.13095 1.13915 1.14299 1.14945 1.15531 1.17147 1.17769 1.18202 1.18886 1.19773 1.21101 1.23289 1.25156 1.26539 1.28783 1.29587 1.30676 1.32707 1.33961 1.34881 1.38273 1.39575 1.41357 1.43111 1.46687 1.49549 1.55625 1.58190 1.65313 1.69873 1.72284 1.73839 22.36615 22.40728 22.44693 22.50172 22.54315 22.57212 22.58764 22.59528 22.61482 22.62575 22.63456 22.64836 22.66871 22.67043 22.68078 22.68205 22.69229 22.71286 22.74108 22.75047 22.75350 22.76204 22.78453 41.49145 41.54459 41.56826 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 48 49 50 51 52 53 54 55 56 O O O C C C 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 H H H H -0.243194 -0.235649 -0.441327 0.387526 -0.156894 -0.142681 -0.111475 0.160782 -0.228293 -0.542827 -0.523666 -0.526960 -0.514516 -0.483808 -0.633292 0.543575 -0.643915 -0.465021 -0.785412 0.107456 -0.558216 -0.587210 0.178728 0.209167 -0.378845 -0.524998 0.220833 0.249750 0.217294 0.251282 0.231059 0.225542 0.211501 0.225172 0.229101 0.254303 0.239707 0.219019 0.235754 0.210734 0.252146 0.246998 0.225372 0.236032 0.213860 0.213346 0.225474 0.224983 0.234671 0.245914 0.230895 0.255484 0.240479 0.227142 0.282779 0.364340 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 O O O C C C C C C C C C C C C C C C C C C C C C C C -0.243194 -0.235649 -0.076987 0.387526 0.063940 0.107069 0.105819 0.160782 0.022989 -0.086226 -0.086993 -0.043556 -0.055790 -0.037320 -0.134148 0.543575 -0.182511 -0.037815 -0.100285 0.107456 -0.081407 -0.331727 0.178728 0.209167 0.088776 -0.242219 0.00000 1.71239113e+00 2.21789842e-01 -9.95030986e-01 3.09913875e+02 9.67536258e+00 2.27362837e+02 6.51582584e+00 1.25747520e+01 1.99854367e+02 -14.4821 -7.8377 -6.8394 -0.0008 -0.0007 0.0005 17.3954 27.2235 39.3248 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 16.8472 27.1417 39.1998 51.9961 55.8815 71.6555 95.7896 119.8403 145.0696 155.9904 159.7942 172.4198 187.1379 196.1964 215.2998 220.3303 235.2456 244.3499 260.3600 277.4183 289.0169 309.9960 316.1629 341.4570 347.2970 358.0652 364.8727 381.7535 388.9069 416.3677 418.5654 439.1746 454.0760 483.6227 494.6852 527.6204 537.7770 551.1483 552.6540 571.6129 608.9819 629.4543 635.4018 640.0538 650.1577 678.1347 690.1941 721.2897 768.9442 781.2764 812.6920 829.3133 837.7914 841.6158 849.3540 876.6914 880.7891 890.3679 908.2277 917.8104 920.3469 944.3199 954.9013 960.0405 970.5896 972.2965 995.4980 996.1004 1010.9227 1028.0357 1036.3719 1049.6266 1050.3197 1063.9345 1074.7566 1080.2277 1091.8828 1104.4495 1115.0014 1117.7272 1127.1372 1135.6636 1143.6655 1156.4188 1171.0078 1177.7015 1183.6105 1186.2152 1198.9128 1202.3953 1223.0877 1228.4423 1237.4691 1239.8903 1247.8764 1249.1565 1256.1986 1276.9196 1286.7707 1291.9521 1298.0113 1306.8432 1308.6165 1319.0317 1323.8627 1325.9213 1334.1088 1338.8419 1346.8628 1350.0602 1354.4123 1358.8061 1359.5668 1364.7556 1386.7597 1388.5107 1438.5540 1443.1939 1450.1401 1453.9117 1463.4967 1466.0515 1470.5470 1473.1799 1477.7518 1479.9794 1485.6090 1498.4132 1584.2949 1605.1964 1623.6900 2134.1581 2925.1760 2934.5716 2944.9542 2956.1253 2963.7300 2972.1097 2976.1879 2978.8718 2983.3145 2986.3946 2986.7704 2990.0419 2991.8393 2997.9761 3004.5568 3010.5179 3023.8773 3036.9703 3039.2781 3040.8010 3042.4299 3052.0350 3057.7202 3063.3055 3073.2391 3077.3185 3081.3591 3119.5043 3409.6251 3424.0040 6.3111 6.5679 6.1076 4.2521 4.7270 4.6091 3.4325 3.8357 3.7513 3.1165 3.2057 1.2839 3.5952 3.5244 2.5399 3.2285 2.6815 2.9853 2.4080 3.1791 2.8905 3.0423 3.3646 3.3331 2.2852 4.2896 2.2642 3.4006 2.8052 3.0968 1.8175 2.3893 2.5627 3.7002 3.9458 2.7154 2.6357 2.3642 2.8088 2.7731 2.4956 3.2508 1.2324 2.8496 1.3564 3.2703 2.9838 3.8255 2.1157 3.3410 2.2184 2.2278 2.7433 2.7135 2.1006 1.9526 2.1964 1.7125 2.1890 2.3761 1.9845 2.0671 2.1821 2.2651 2.4446 2.2345 2.5004 2.0610 3.4990 1.8687 2.4913 1.8965 2.6414 2.2967 2.5757 2.3337 2.6162 2.1034 1.9484 2.3979 1.9962 2.0574 2.0012 1.7680 1.4424 1.2491 1.3489 1.5617 2.0830 1.4196 1.3142 1.3842 1.5419 1.4096 1.3552 1.3952 1.3904 2.0313 1.3691 1.3561 1.4839 1.3982 1.4093 1.3095 1.4354 1.2864 1.3945 1.5346 1.7619 1.4181 1.3955 1.4529 1.4503 1.3405 1.4441 1.2060 1.0762 1.0784 1.0848 1.0860 1.0834 1.0830 1.0882 1.0683 1.0930 1.0775 1.0631 1.0728 9.9942 6.4755 7.7443 6.0440 1.0816 1.0818 1.0618 1.0665 1.0676 1.0638 1.0666 1.0673 1.0632 1.0499 1.0678 1.0771 1.0661 1.0642 1.0640 1.0792 1.0996 1.0984 1.0937 1.0974 1.0991 1.1006 1.1001 1.0960 1.1045 1.0986 1.0991 1.0911 1.0640 1.1584 0.0011 0.0029 0.0055 0.0068 0.0087 0.0139 0.0186 0.0325 0.0465 0.0447 0.0482 0.0225 0.0742 0.0799 0.0694 0.0923 0.0874 0.1050 0.0962 0.1442 0.1423 0.1722 0.1982 0.2290 0.1624 0.3240 0.1776 0.2920 0.2500 0.3163 0.1876 0.2715 0.3113 0.5099 0.5689 0.4454 0.4491 0.4231 0.5055 0.5338 0.5453 0.7589 0.2931 0.6878 0.3378 0.8861 0.8375 1.1726 0.7370 1.2015 0.8633 0.9027 1.1345 1.1324 0.8928 0.8842 1.0039 0.7999 1.0639 1.1793 0.9904 1.0861 1.1723 1.2300 1.3568 1.2446 1.4600 1.2048 2.1068 1.1636 1.5766 1.2310 1.7168 1.5317 1.7529 1.6044 1.8377 1.5117 1.4272 1.7651 1.4942 1.5634 1.5422 1.3930 1.1654 1.0208 1.1134 1.2947 1.7641 1.2092 1.1583 1.2307 1.3912 1.2768 1.2434 1.2827 1.2927 1.9514 1.3356 1.3336 1.4730 1.4069 1.4219 1.3424 1.4822 1.3325 1.4624 1.6207 1.8831 1.5228 1.5083 1.5806 1.5794 1.4711 1.6363 1.3699 1.3122 1.3234 1.3441 1.3525 1.3672 1.3715 1.3865 1.3660 1.4063 1.3906 1.3824 1.4191 14.7799 9.8306 12.0293 16.2190 5.4529 5.4889 5.4255 5.4911 5.5252 5.5365 5.5665 5.5800 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