Gaussian 09 GINC-KIMIK2132 CBGUSER 000071902 EM64L-G09RevD.01 8-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 312.2335999999998 0 1 AuxInfo=1/0/N:25,18,19,16,15,10,14,9,13,23,22,12,24,21,20,6,17,11,5,8,7,4,3,1,2/E:(2,3)/CRV:10.3,11.3,13.3,14.3,15.3,17.3/rA:55OOOCCCCCCCCCCCCCC3CCC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s2s5;s6;s4;s6;s1s5;s1s4;s7s10;s8;s9s14;s7;s11;s8;s8;s2s17;s3s17;s20;s21;s22s23;s24;s5;s6;s9;s9;s10;s10;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s16;s18;s18;s18;s19;s19;s19;s22;s23;s3;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-31540.inp" -scrdir="/scratch/" chk=000071902.chk nprocshared=8 mem=31GB #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 000071902 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 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 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 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 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 (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 1 2 2 3 3 4 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 15 16 16 16 17 17 18 18 18 19 19 19 20 21 22 22 23 23 24 25 25 25 11 12 7 20 21 52 5 6 9 12 7 11 26 8 10 27 13 16 14 18 19 15 28 29 13 30 31 17 32 33 34 35 36 15 37 38 39 40 41 42 43 20 21 44 45 46 47 48 49 22 23 24 50 24 51 25 53 54 55 1.4422 1.4538 1.4357 1.3796 1.364 0.9704 1.5502 1.5538 1.5595 1.5345 1.5171 1.5107 1.104 1.5724 1.5674 1.0997 1.545 1.5448 1.5451 1.5454 1.5481 1.5325 1.0951 1.0935 1.5373 1.0959 1.0949 1.5069 1.097 1.0965 1.0905 1.0974 1.0989 1.5244 1.0976 1.0976 1.0969 1.095 1.0965 1.0952 1.0947 1.4087 1.4011 1.0958 1.0967 1.0892 1.0965 1.0957 1.0948 1.3969 1.3953 1.3939 1.0875 1.3938 1.0875 1.4913 1.0945 1.0953 1.0953 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A116 A117 11 7 21 5 5 5 6 6 9 4 4 4 7 7 11 4 4 4 8 8 10 2 2 2 5 5 13 6 6 6 14 14 18 4 4 4 15 15 28 6 6 6 13 13 30 1 1 1 5 5 17 1 1 1 4 4 33 7 7 7 10 10 35 8 8 8 15 15 37 9 9 9 14 14 39 7 7 7 41 41 42 11 11 20 8 8 8 44 44 45 8 8 8 47 47 48 2 2 17 3 3 17 20 20 24 21 21 24 22 22 23 24 24 24 53 53 54 1 2 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 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 12 20 52 6 9 12 9 12 12 7 11 26 11 26 26 8 10 27 10 27 27 5 13 16 13 16 16 14 18 19 18 19 19 15 28 29 28 29 29 13 30 31 30 31 31 5 17 32 17 32 32 4 33 34 33 34 34 10 35 36 35 36 36 15 37 38 37 38 38 14 39 40 39 40 40 41 42 43 42 43 43 20 21 21 44 45 46 45 46 46 47 48 49 48 49 49 17 22 22 17 23 23 24 50 50 24 51 51 23 25 25 53 54 55 54 55 55 108.5237 115.5447 110.471 107.086 118.4534 95.5582 108.4219 120.3217 107.2413 117.1492 104.1425 106.6003 114.7764 106.9601 106.507 114.3113 107.6886 108.5685 111.8952 107.3988 106.6731 111.5689 110.228 107.6209 107.6485 112.3445 107.3546 110.7022 111.0253 111.2887 109.9872 108.1093 105.5689 112.9922 111.6344 111.2808 106.8401 107.5259 106.198 115.4577 109.5335 110.7741 106.3645 108.3174 105.8844 104.5192 113.5184 108.4121 110.9141 110.5921 108.8136 104.9896 108.0026 106.9952 112.4282 115.5311 108.4673 116.1974 109.8028 108.9662 108.2559 106.4932 106.6836 113.7363 109.8429 110.1788 108.1084 108.9871 105.652 112.7371 108.8804 110.3458 108.9369 109.9515 105.7319 110.3719 111.6216 112.3532 108.3643 106.1299 107.7619 120.971 120.0237 119.0004 111.0106 111.0005 113.2691 107.3462 108.0157 105.8898 111.1846 111.0251 112.2067 107.6516 106.2866 108.2521 123.9187 115.7305 120.3014 121.0789 118.4807 120.4396 120.0129 119.7728 120.2141 120.1415 119.6145 120.2438 120.0793 119.9552 119.9655 110.0591 111.1557 111.1788 108.6901 108.6909 106.9639 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141 D142 D143 D144 D145 D146 D147 D148 D149 D150 D151 D152 D153 D154 D155 D156 D157 D158 D159 D160 D161 D162 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 12 12 12 11 11 11 20 20 20 7 7 52 52 6 6 6 9 9 9 12 12 12 5 5 5 9 9 9 12 12 12 5 5 5 6 6 6 12 12 12 5 5 5 6 6 6 9 9 9 4 4 4 11 11 11 26 26 26 4 4 4 7 7 7 26 26 26 4 4 4 10 10 10 27 27 27 4 4 4 8 8 8 27 27 27 2 2 2 5 5 5 16 16 16 2 2 2 5 5 5 13 13 13 6 6 6 18 18 18 19 19 19 6 6 6 14 14 14 19 19 19 6 6 6 14 14 14 18 18 18 4 4 4 28 28 28 29 29 29 6 6 6 30 30 30 31 31 31 1 1 5 5 32 32 8 8 8 37 37 37 38 38 38 11 11 21 21 11 11 20 20 2 2 17 17 3 3 17 17 20 20 50 50 21 21 51 51 22 22 22 23 23 23 1 1 1 1 1 1 2 2 2 2 2 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 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 24 24 11 11 11 12 12 12 7 7 7 20 20 21 21 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 15 15 15 15 15 15 15 15 15 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 15 15 15 15 15 15 15 15 15 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 24 24 24 24 25 25 25 25 25 25 5 17 32 4 33 34 5 13 16 17 22 17 23 7 11 26 7 11 26 7 11 26 8 10 27 8 10 27 8 10 27 15 28 29 15 28 29 15 28 29 1 33 34 1 33 34 1 33 34 2 13 16 2 13 16 2 13 16 1 17 32 1 17 32 1 17 32 14 18 19 14 18 19 14 18 19 13 30 31 13 30 31 13 30 31 10 35 36 10 35 36 10 35 36 41 42 43 41 42 43 41 42 43 15 37 38 15 37 38 15 37 38 44 45 46 44 45 46 44 45 46 47 48 49 47 48 49 47 48 49 14 39 40 14 39 40 14 39 40 7 35 36 7 35 36 7 35 36 20 21 20 21 20 21 9 39 40 9 39 40 9 39 40 2 22 2 22 3 23 3 23 24 50 24 50 24 51 24 51 23 25 23 25 22 25 22 25 53 54 55 53 54 55 0.9559 -120.0319 118.9336 28.342 -91.8109 151.5991 -45.3951 -164.9393 78.2798 20.0673 -162.489 2.0677 -178.2459 -64.1583 167.8968 55.509 58.7019 -69.243 178.3692 171.7464 43.8015 -68.5863 -177.0386 57.9613 -57.178 54.0775 -70.9226 173.9381 -69.7517 165.2482 50.1089 -177.0775 62.4687 -55.9909 -54.8881 -175.3419 66.1984 76.452 -44.0018 -162.4615 -43.4792 73.6916 -161.0746 -156.988 -39.8172 85.4166 78.6221 -164.2071 -38.9733 -67.3601 53.6988 171.6813 55.2638 176.3227 -65.6949 173.1639 -65.7772 52.2052 -29.4804 93.2201 -145.9575 -158.8693 -36.1688 84.6536 82.9747 -154.3248 -33.5024 -51.7877 70.6733 -172.0446 70.9565 -166.5824 -49.3004 -172.3011 -49.84 67.442 -52.6669 -172.6669 70.8977 -179.1006 60.8994 -55.536 63.7198 -56.2802 -172.7156 79.3647 -43.8808 -160.3934 -42.5305 -165.776 77.7115 -163.6888 73.0657 -43.4469 58.2739 178.8512 -59.9637 -178.5247 -57.9474 63.2377 -60.3685 60.2088 -178.6061 49.0491 -72.2599 171.7509 -74.0154 164.6757 48.6865 171.1861 49.8771 -66.1121 51.7529 171.0632 -69.9694 174.6274 -66.0622 52.9051 -68.9691 50.3413 169.3086 -172.9357 -53.1097 68.1776 65.288 -174.886 -53.5987 -52.3859 67.4401 -171.2726 54.8366 175.8474 -68.53 177.9894 -60.9997 54.6228 -68.3556 52.6552 168.2778 45.9159 169.963 -75.6471 167.6342 -68.3186 46.0712 -78.9319 45.1152 159.5051 127.3637 -53.4522 10.0405 -170.7754 -111.8275 67.3566 -51.5541 -172.5327 72.0313 70.7172 -50.2614 -165.6974 -174.9081 64.1133 -51.3227 -1.5348 -178.8675 179.2728 1.9402 -0.7503 179.5695 178.4499 -1.2304 -179.034 1.1301 -1.491 178.6732 -179.6188 0.5695 0.0697 -179.7421 0.3087 -179.6507 -179.8561 0.1845 0.4028 -179.6378 -179.7866 0.1728 -89.7785 30.6924 149.7346 90.2621 -149.2671 -30.2249 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 330 330 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 55 55 55 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= 22155 NPrTT= 111300 LenC2= 19949 LenP2D= 62800. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 310 RedAO= T EigKep= 3.33D-04 NBF= 310 NBsUse= 310 1.00D-06 EigRej= -1.00D+00 NBFU= 310 Using GEDIIS/GDIIS optimizer. local minimum Step number 8 out of a maximum of 330 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00202 0.00231 0.00248 0.00428 0.00512 0.00556 0.00638 0.00841 0.00955 0.00982 0.01468 0.01672 0.01702 0.01780 0.01930 0.02078 0.02131 0.02149 0.02161 0.02164 0.02249 0.02315 0.02465 0.02723 0.02970 0.03509 0.03644 0.03967 0.04050 0.04190 0.04296 0.04367 0.04597 0.04683 0.04751 0.04782 0.04835 0.04985 0.05089 0.05173 0.05190 0.05283 0.05375 0.05401 0.05416 0.05527 0.05534 0.05561 0.05597 0.06024 0.06159 0.06799 0.06974 0.07038 0.07192 0.07301 0.07687 0.07854 0.08103 0.08354 0.08399 0.08475 0.08759 0.08879 0.09010 0.09569 0.10130 0.10559 0.11318 0.11524 0.12276 0.12580 0.13103 0.14640 0.14762 0.15345 0.15681 0.15934 0.15997 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16003 0.16017 0.16033 0.16049 0.16189 0.16340 0.17934 0.18649 0.20496 0.21042 0.22535 0.23382 0.23541 0.23784 0.24204 0.24889 0.24976 0.25297 0.25482 0.25769 0.26419 0.27484 0.27649 0.27825 0.27867 0.28098 0.28205 0.28274 0.28552 0.28738 0.29910 0.30370 0.33019 0.33283 0.33675 0.33724 0.33820 0.33945 0.33956 0.33974 0.34026 0.34044 0.34056 0.34071 0.34074 0.34147 0.34159 0.34168 0.34205 0.34206 0.34209 0.34225 0.34246 0.34262 0.34280 0.34292 0.34370 0.34438 0.34725 0.34822 0.35097 0.35135 0.35607 0.36510 0.37808 0.39891 0.43112 0.43697 0.45639 0.46445 0.46681 0.47461 0.52159 0.53694 RFO step: Lambda=-8.85546496D-07. 1 2 3 0.00167693 0.00000185 0.00000000 0.00000134 0.00000015 0.00000015 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 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 2.85594 2.84211 2.84002 2.67653 2.64958 1.89765 2.98419 2.96388 2.95582 2.94257 2.89460 2.87894 2.09803 2.98040 2.96408 2.10692 2.91453 2.92055 2.94687 2.93911 2.93740 2.92839 2.08573 2.08348 2.92705 2.08732 2.08734 2.86028 2.09104 2.09528 2.07925 2.09122 2.09520 2.91950 2.09542 2.09514 2.09228 2.09459 2.08631 2.08893 2.08631 2.68326 2.68271 2.09190 2.09095 2.08178 2.09071 2.09275 2.08627 2.66672 2.66463 2.67824 2.06828 2.67800 2.06813 2.87217 2.09276 2.08639 2.08623 1.88810 2.02700 1.89972 1.85310 2.05665 1.68621 1.90271 2.09746 1.87092 2.05874 1.82541 1.83530 1.99197 1.85013 1.89182 1.99817 1.87507 1.88828 1.94897 1.86923 1.88018 1.92645 1.88415 1.86232 1.89624 1.96000 1.93329 1.91517 1.92746 1.93466 1.92851 1.90096 1.85630 1.94255 1.91561 1.93140 1.90284 1.91336 1.85590 2.02153 1.90138 1.91016 1.86818 1.89984 1.85540 1.80666 1.95962 1.83345 1.94024 1.98277 1.93531 1.83272 1.89819 1.83814 1.96383 2.00498 1.91697 2.02534 1.89363 1.85807 1.91531 1.90208 1.86210 1.98028 1.90322 1.90185 1.89957 1.92076 1.85384 1.96773 1.89724 1.92300 1.91025 1.91660 1.84484 1.91370 1.93966 1.93989 1.89317 1.88416 1.89176 2.12315 2.09722 2.06281 1.93248 1.91998 1.97939 1.87747 1.88126 1.86936 1.91851 1.94348 1.96163 1.87861 1.87089 1.88738 2.14147 2.03096 2.11003 2.09221 2.07378 2.11714 2.09693 2.07425 2.11199 2.09070 2.07533 2.11688 2.08649 2.09866 2.09747 1.93697 1.94567 1.94373 1.87337 1.87298 1.88791 0.10313 -1.99104 2.18724 0.41329 -1.69246 2.53680 -0.75468 -2.82487 1.37954 0.34455 -2.83785 0.37580 -2.75487 -1.08648 2.96174 0.97037 1.05102 -1.18394 3.10787 3.03092 0.79596 -1.19542 -3.08430 1.02368 -1.00172 0.96665 -1.20855 3.04923 -1.20110 2.90688 0.88148 -3.08358 1.09154 -0.95144 -0.97152 -3.07958 1.16063 1.32438 -0.78368 -2.82666 -0.72208 1.33977 -2.73270 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0.00008 0.00004 0.00017 0.00012 0.00001 0.00008 0.00021 0.00004 0.00011 0.00006 0.00013 0.00013 0.00026 0.00042 0.00052 0.00044 -0.00025 -0.00022 0.00025 -0.00019 -0.00011 0.00004 -0.00032 0.00022 -0.00005 0.00010 0.00004 -0.00018 0.00041 -0.00036 0.00063 -0.00024 -0.00032 0.00013 0.00035 -0.00042 -0.00013 -0.00015 0.00024 0.00015 -0.00009 0.00051 -0.00021 0.00014 -0.00051 0.00038 -0.00004 0.00010 -0.00007 -0.00009 -0.00032 0.00025 0.00008 0.00019 -0.00059 0.00002 0.00003 -0.00039 0.00058 -0.00025 -0.00021 0.00012 0.00013 -0.00006 -0.00008 0.00025 0.00026 -0.00038 0.00000 0.00008 0.00007 -0.00020 -0.00007 -0.00003 0.00015 -0.00020 0.00020 -0.00013 0.00012 0.00004 -0.00002 0.00002 -0.00014 0.00007 0.00016 -0.00009 -0.00002 -0.00037 0.00005 0.00006 0.00018 -0.00002 0.00010 -0.00034 0.00033 0.00000 -0.00013 -0.00006 0.00021 0.00004 -0.00018 0.00012 -0.00009 -0.00008 0.00009 0.00002 -0.00002 0.00008 0.00017 -0.00010 -0.00004 0.00060 -0.00052 -0.00008 0.00001 -0.00010 0.00009 -0.00004 0.00011 -0.00007 0.00008 0.00004 -0.00011 0.00004 0.00004 -0.00009 0.00003 -0.00005 0.00004 0.00154 0.00173 0.00140 -0.00095 -0.00119 -0.00128 0.00100 0.00087 0.00063 -0.00075 0.00026 0.00045 0.00008 0.00050 0.00082 0.00082 0.00101 0.00133 0.00133 0.00066 0.00098 0.00098 -0.00055 -0.00156 -0.00122 -0.00068 -0.00170 -0.00136 -0.00061 -0.00162 -0.00129 0.00032 0.00018 0.00053 0.00092 0.00079 0.00114 0.00077 0.00064 0.00099 0.00002 0.00003 -0.00006 -0.00029 -0.00028 -0.00037 -0.00038 -0.00037 -0.00046 0.00027 0.00070 0.00081 -0.00020 0.00023 0.00035 -0.00011 0.00032 0.00043 -0.00154 -0.00118 -0.00107 -0.00130 -0.00094 -0.00084 -0.00142 -0.00106 -0.00096 -0.00028 -0.00050 -0.00088 0.00064 0.00042 0.00004 0.00046 0.00023 -0.00014 0.00150 0.00205 0.00186 0.00100 0.00155 0.00136 0.00114 0.00168 0.00150 -0.00061 -0.00063 -0.00074 -0.00089 -0.00091 -0.00102 -0.00077 -0.00079 -0.00090 0.00128 0.00130 0.00150 0.00107 0.00109 0.00129 0.00097 0.00099 0.00119 0.00077 0.00060 0.00059 0.00093 0.00076 0.00075 0.00159 0.00141 0.00140 -0.00086 -0.00093 -0.00068 -0.00088 -0.00095 -0.00070 -0.00111 -0.00118 -0.00093 0.00394 0.00386 0.00397 0.00335 0.00327 0.00337 0.00380 0.00372 0.00383 -0.00057 -0.00046 -0.00052 -0.00042 -0.00030 -0.00037 -0.00089 -0.00078 -0.00084 -0.00016 -0.00007 0.00006 -0.00034 -0.00025 -0.00012 -0.00061 -0.00051 -0.00039 0.00102 -0.00005 0.00127 0.00020 0.00117 0.00010 -0.00018 -0.00013 -0.00015 0.00003 0.00009 0.00007 0.00010 0.00016 0.00014 -0.00046 -0.00152 0.00058 -0.00047 0.00200 0.00237 0.00097 0.00134 -0.00133 -0.00075 -0.00033 0.00025 -0.00101 -0.00053 -0.00138 -0.00090 0.00030 0.00057 -0.00029 -0.00003 0.00054 0.00028 0.00006 -0.00021 -0.00294 -0.00286 -0.00285 -0.00268 -0.00259 -0.00259 2.85577 2.84213 2.83965 2.67610 2.64923 1.89741 2.98442 2.96439 2.95595 2.94265 2.89441 2.87926 2.09807 2.98073 2.96445 2.10704 2.91461 2.92055 2.94682 2.93910 2.93759 2.92872 2.08578 2.08357 2.92708 2.08732 2.08734 2.86067 2.09120 2.09543 2.07938 2.09128 2.09522 2.91969 2.09552 2.09523 2.09237 2.09467 2.08638 2.08899 2.08642 2.68341 2.68305 2.09203 2.09106 2.08191 2.09081 2.09283 2.08631 2.66689 2.66475 2.67825 2.06836 2.67822 2.06817 2.87228 2.09282 2.08652 2.08636 1.88836 2.02742 1.90025 1.85354 2.05640 1.68599 1.90296 2.09727 1.87081 2.05878 1.82509 1.83552 1.99192 1.85024 1.89186 1.99798 1.87549 1.88792 1.94961 1.86899 1.87986 1.92658 1.88451 1.86190 1.89611 1.95985 1.93353 1.91532 1.92737 1.93518 1.92830 1.90110 1.85579 1.94293 1.91557 1.93150 1.90277 1.91326 1.85559 2.02178 1.90146 1.91035 1.86759 1.89986 1.85542 1.80627 1.96021 1.83320 1.94003 1.98290 1.93544 1.83266 1.89811 1.83840 1.96409 2.00460 1.91697 2.02542 1.89370 1.85788 1.91524 1.90205 1.86225 1.98008 1.90342 1.90172 1.89969 1.92080 1.85382 1.96775 1.89709 1.92307 1.91041 1.91650 1.84483 1.91334 1.93971 1.93994 1.89335 1.88415 1.89187 2.12281 2.09755 2.06282 1.93234 1.91992 1.97960 1.87752 1.88108 1.86948 1.91842 1.94340 1.96172 1.87863 1.87087 1.88746 2.14164 2.03086 2.10999 2.09281 2.07326 2.11707 2.09694 2.07415 2.11208 2.09066 2.07544 2.11681 2.08657 2.09871 2.09735 1.93701 1.94570 1.94364 1.87339 1.87293 1.88794 0.10467 -1.98931 2.18864 0.41234 -1.69365 2.53551 -0.75368 -2.82400 1.38016 0.34380 -2.83759 0.37625 -2.75479 -1.08599 2.96256 0.97119 1.05203 -1.18262 3.10920 3.03157 0.79693 -1.19444 -3.08485 1.02212 -1.00294 0.96596 -1.21026 3.04787 -1.20171 2.90525 0.88019 -3.08327 1.09172 -0.95091 -0.97059 -3.07879 1.16176 1.32516 -0.78304 -2.82567 -0.72206 1.33980 -2.73276 -2.69575 -0.63389 1.57673 1.40454 -2.81679 -0.60617 -1.17400 0.88922 3.03402 0.97895 3.04218 -1.09621 3.05985 -1.16011 0.98469 -0.57692 1.53078 -2.55490 -2.85166 -0.74395 1.45356 1.37432 -2.80116 -0.60366 -0.91102 1.21886 -3.01196 1.22543 -2.92788 -0.87551 -3.00352 -0.87364 1.17873 -0.96012 -3.06585 1.19526 3.11795 1.01222 -1.00986 1.07025 -1.03548 -3.05755 1.38457 -0.78048 -2.77891 -0.70509 -2.87014 1.41461 -2.86568 1.25246 -0.74597 1.11617 -3.07414 -0.96541 -3.05425 -0.96138 1.14735 -0.93068 1.16220 -3.01226 0.87114 -1.24926 3.01742 -1.25818 2.90461 0.88811 2.99263 0.87223 -1.14426 1.01780 3.09062 -1.09935 3.14001 -1.07036 1.02286 -1.08284 0.98997 3.08319 -2.99519 -0.91501 1.20581 1.17863 -3.02437 -0.90355 -0.89960 1.18058 -2.98178 0.97748 3.09886 -1.17040 3.09317 -1.06864 0.94530 -1.16539 0.95599 2.96992 0.80893 2.96279 -1.28707 2.93283 -1.19650 0.83683 -1.35193 0.80193 2.83526 2.32333 -0.82297 0.30891 -2.83739 -1.91470 1.22219 -0.93304 -3.04686 1.21849 1.18944 -0.92437 -2.94221 -3.06879 1.10058 -0.91726 -0.11206 3.07108 3.03415 -0.06589 0.09104 -3.06138 -3.05510 0.07567 -3.08176 0.05517 0.02082 -3.12543 3.09101 -0.02559 -0.03988 3.12671 0.01657 3.12243 -3.12026 -0.01440 -0.00721 -3.11310 3.10877 0.00288 -1.56379 0.52359 2.63397 1.54185 -2.65396 -0.54358 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000160 0.000031 0.009039 0.001677 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.820074e-06 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 1 2 2 3 3 4 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 15 16 16 16 17 17 18 18 18 19 19 19 20 21 22 22 23 23 24 25 25 25 11 12 7 20 21 52 5 6 9 12 7 11 26 8 10 27 13 16 14 18 19 15 28 29 13 30 31 17 32 33 34 35 36 15 37 38 39 40 41 42 43 20 21 44 45 46 47 48 49 22 23 24 50 24 51 25 53 54 55 1.5113 1.504 1.5029 1.4164 1.4021 1.0042 1.5792 1.5684 1.5642 1.5571 1.5318 1.5235 1.1102 1.5772 1.5685 1.1149 1.5423 1.5455 1.5594 1.5553 1.5544 1.5496 1.1037 1.1025 1.5489 1.1046 1.1046 1.5136 1.1065 1.1088 1.1003 1.1066 1.1087 1.5449 1.1088 1.1087 1.1072 1.1084 1.104 1.1054 1.104 1.4199 1.4196 1.107 1.1065 1.1016 1.1064 1.1074 1.104 1.4112 1.4101 1.4173 1.0945 1.4171 1.0944 1.5199 1.1074 1.1041 1.104 -DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0002|-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 = 0.0001|-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 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 11 7 21 5 5 5 6 6 9 4 4 4 7 7 11 4 4 4 8 8 10 2 2 2 5 5 13 6 6 6 14 14 18 4 4 4 15 15 28 6 6 6 13 13 30 1 1 1 5 5 17 1 1 1 4 4 33 7 7 7 10 10 35 8 8 8 15 15 37 9 9 9 14 14 39 7 7 7 41 41 42 11 11 20 8 8 8 44 44 45 8 8 8 47 47 48 2 2 17 3 3 17 20 20 24 21 21 24 22 22 23 24 24 24 53 53 54 1 2 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 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 25 25 25 12 20 52 6 9 12 9 12 12 7 11 26 11 26 26 8 10 27 10 27 27 5 13 16 13 16 16 14 18 19 18 19 19 15 28 29 28 29 29 13 30 31 30 31 31 5 17 32 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107.1062 109.9225 111.3533 112.3931 107.6366 107.1941 108.1389 122.6974 116.3652 120.8956 119.8748 118.8187 121.3035 120.1454 118.8459 121.0081 119.7886 118.9077 121.2884 119.5472 120.2446 120.1759 110.9804 111.4786 111.3676 107.336 107.3137 108.1691 -DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-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 = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-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 = -0.0001|-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 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 12 12 12 11 11 11 20 20 20 7 7 52 52 6 6 6 9 9 9 12 12 12 5 5 5 9 9 9 12 12 12 5 5 5 6 6 6 12 12 12 5 5 5 6 6 6 9 9 9 4 4 4 11 11 11 26 26 26 4 4 4 7 7 7 26 26 26 4 4 4 10 10 10 27 27 27 4 4 4 8 8 8 27 27 27 2 2 2 5 5 5 16 16 16 2 2 2 5 5 5 13 13 13 6 6 6 18 18 18 19 19 19 6 6 6 14 14 14 19 19 19 6 6 6 14 14 14 18 18 18 4 4 4 28 28 28 29 29 29 6 6 6 30 30 30 31 31 31 1 1 5 5 32 32 8 8 8 37 37 37 38 38 38 11 11 21 21 11 11 20 20 2 2 17 17 3 3 17 17 20 20 50 50 21 21 51 51 22 22 22 23 23 1 1 1 1 1 1 2 2 2 2 2 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 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 17 17 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 24 11 11 11 12 12 12 7 7 7 20 20 21 21 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 12 12 12 12 12 12 12 12 12 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 11 11 11 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 14 14 14 14 14 14 14 14 14 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 15 15 15 15 15 15 15 15 15 13 13 13 13 13 13 13 13 13 17 17 17 17 17 17 15 15 15 15 15 15 15 15 15 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 24 24 24 24 25 25 25 25 25 5 17 32 4 33 34 5 13 16 17 22 17 23 7 11 26 7 11 26 7 11 26 8 10 27 8 10 27 8 10 27 15 28 29 15 28 29 15 28 29 1 33 34 1 33 34 1 33 34 2 13 16 2 13 16 2 13 16 1 17 32 1 17 32 1 17 32 14 18 19 14 18 19 14 18 19 13 30 31 13 30 31 13 30 31 10 35 36 10 35 36 10 35 36 41 42 43 41 42 43 41 42 43 15 37 38 15 37 38 15 37 38 44 45 46 44 45 46 44 45 46 47 48 49 47 48 49 47 48 49 14 39 40 14 39 40 14 39 40 7 35 36 7 35 36 7 35 36 20 21 20 21 20 21 9 39 40 9 39 40 9 39 40 2 22 2 22 3 23 3 23 24 50 24 50 24 51 24 51 23 25 23 25 22 25 22 25 53 54 55 53 54 5.9087 -114.0781 125.3194 23.6797 -96.9709 145.3478 -43.2398 -161.8531 79.0417 19.7413 -162.5966 21.5318 -157.8426 -62.2509 169.6953 55.598 60.2189 -67.8348 178.0679 173.6586 45.6049 -68.4924 -176.7175 58.6525 -57.3942 55.3849 -69.245 174.7083 -68.8182 166.5518 50.5051 -176.6763 62.5407 -54.5134 -55.6639 -176.4469 66.4991 75.8816 -44.9014 -161.9554 -41.3721 76.7633 -156.5724 -154.4387 -36.3033 90.361 80.4958 -161.3688 -34.7045 -67.2811 50.9086 173.79 56.1009 174.2906 -62.828 175.3228 -66.4875 56.3939 -32.9673 87.7748 -146.3232 -163.3137 -42.5715 83.3305 78.8239 -160.434 -34.532 -52.1817 69.8641 -172.5221 70.1752 -167.779 -50.1651 -172.1153 -50.0695 67.5443 -55.0968 -175.7775 68.3768 178.5878 57.9071 -57.9386 61.2557 -59.4249 -175.2707 79.3649 -44.6819 -159.1776 -40.3477 -164.3945 81.1098 -164.147 71.8062 -42.6895 63.8785 -176.2093 -55.3997 -175.0572 -55.1451 65.6645 -53.3799 66.5322 -172.6582 49.8681 -71.6121 172.8518 -72.1417 166.3781 50.842 171.3744 49.8943 -65.6419 58.365 177.1325 -62.9494 179.9597 -61.2728 58.6452 -61.9785 56.7891 176.7071 -171.8377 -52.6471 68.8607 67.3387 -173.4707 -51.9629 -51.7612 67.4293 -171.0628 56.0381 177.5775 -67.0291 177.2497 -61.2109 54.1825 -66.721 54.8184 170.2119 46.3574 169.7589 -73.7474 168.0584 -68.5401 47.9536 -77.4248 45.9767 162.4704 133.0589 -47.1497 17.6265 -162.5821 -109.7708 70.0206 -53.449 -174.5648 69.8225 68.1481 -52.9676 -168.5803 -175.8343 63.0499 -52.5627 -6.3942 176.047 173.8104 -3.7484 5.1018 -175.5398 -175.0997 4.2588 -176.4953 3.2043 1.212 -179.0884 177.1594 -1.4358 -2.2056 179.1992 0.9317 178.8695 -178.7613 -0.8235 -0.4445 -178.3838 178.1165 0.1772 -89.4299 30.1633 151.0788 88.4949 -151.9119 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 312.2335999999998 AuxInfo=1/0/N:25,18,19,16,15,10,14,9,13,23,22,12,24,21,20,6,17,11,5,8,7,4,3,1,2/E:(2,3)/CRV:10.3,11.3,13.3,14.3,15.3,17.3/rA:55OOOCCCCCCCCCCCCCC3CCC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s2s5;s6;s4;s6;s1s5;s1s4;s7s10;s8;s9s14;s7;s11;s8;s8;s2s17;s3s17;s20;s21;s22s23;s24;s5;s6;s9;s9;s10;s10;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s16;s18;s18;s18;s19;s19;s19;s22;s23;s3;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4184967 0.1628585 0.1535957 -9.95115 -9.95083 -9.93788 -9.91487 -9.90964 -9.90874 -9.90488 -9.89995 -9.89557 -9.89397 -9.88927 -9.88571 -9.88182 -9.88119 -9.87751 -9.87750 -9.87729 -9.87706 -9.87651 -9.87603 -0.98670 -0.97620 -0.96012 -0.78816 -0.77611 -0.75303 -0.72095 -0.71721 -0.69422 -0.68408 -0.66903 -0.65596 -0.62252 -0.61894 -0.61307 -0.60651 -0.57718 -0.55870 -0.55164 -0.54487 -0.53452 -0.51867 -0.48726 -0.48055 -0.47309 -0.45746 -0.44074 -0.42920 -0.42813 -0.42166 -0.41683 -0.40818 -0.39826 -0.39512 -0.38558 -0.38047 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-0.02619 -0.03349 -0.12496 -0.16828 -0.16368 0.02176 -0.10958 0.00744 0.02672 -0.00940 0.01774 0.10696 -0.06325 -0.03406 0.13783 -0.05356 0.24021 -0.15753 -0.21936 -0.01738 -0.03076 -0.24871 -0.35363 -0.35985 0.71965 0.12369 0.08076 0.19236 0.06119 -0.04965 -0.61097 -0.07630 -0.09383 -0.01439 -0.16168 -0.10899 0.02961 -0.04482 -0.15791 -0.05852 0.05759 -0.27341 0.55331 0.20733 0.05319 0.06131 0.00455 0.26123 -0.40603 0.08774 0.00549 0.16350 -0.01831 -0.07372 -0.01897 -0.08379 0.03144 0.04151 0.01433 0.01161 0.00553 0.02052 0.01136 -0.00032 0.00016 0.00056 0.00068 -0.00273 -0.00074 0.00493 -0.00034 -0.00672 0.00592 0.00238 -0.00396 -0.00083 -0.00227 -0.00192 0.00162 -0.00273 -0.00221 0.00228 -0.00024 -0.00415 0.00049 -0.00013 0.00166 -0.00010 0.00001 -0.00001 0.00015 0.00021 0.00048 0.00081 -0.00012 -0.00017 0.00007 0.00027 0.00009 -0.00118 0.00007 0.00070 -0.00005 -0.00002 0.00015 0.00003 0.00015 -0.00001 0.00319 0.00006 -0.00067 -0.00016 -0.00027 -0.00124 -0.00041 0.00150 -0.00618 0.00033 0.00124 0.00017 0.00200 -0.00337 -0.00411 -0.00580 0.00847 0.00445 0.00708 -0.00966 -0.00844 -0.01660 -0.00234 0.00279 -0.00377 0.00281 0.00326 0.00436 -0.02954 -0.00863 -0.01823 -0.01250 -0.00365 0.00373 -0.02138 -0.00246 -0.01473 -0.02114 0.02070 0.01912 -0.01032 0.03719 -0.04212 0.02145 -0.01644 -0.03750 0.01450 -0.02731 -0.00482 0.03278 0.09688 0.05402 -0.06159 -0.03390 -0.05755 -0.08185 -0.03271 -0.02421 -0.01363 -0.01729 -0.00080 0.02905 -0.00923 0.01176 0.00714 -0.01334 0.00181 0.02497 -0.03679 -0.00634 0.03709 -0.02780 -0.10737 0.10103 -0.05346 0.04521 0.00688 -0.02863 -0.02409 -0.02759 0.12271 -0.11240 -0.44681 -0.40773 -0.35477 0.07408 -0.26293 -0.15917 -0.22350 0.13484 0.03750 0.12123 0.11909 -0.29955 0.09579 0.21193 -0.02087 -0.21158 -0.04833 0.22073 -0.37272 1.08084 -0.00460 0.53170 0.79662 -0.23029 0.23874 0.70217 -0.51972 -0.29221 -0.05351 -0.13405 -0.05079 0.39854 -0.04034 0.13406 0.10459 -0.03252 -0.33362 0.29181 0.36378 0.14057 0.26130 0.19350 0.11914 0.01900 -0.21040 0.32505 -0.55674 0.16072 -0.06193 -0.26044 -0.77254 -0.33141 0.44991 0.06210 -0.43233 0.07747 0.23638 -0.03082 0.05146 0.44893 -0.28020 -0.00382 -0.08451 -0.05789 0.27303 -0.26933 -0.21952 -0.41707 0.04335 -0.29351 -0.44021 -0.00204 0.38389 0.16324 0.13294 0.13084 0.43994 -0.35162 -0.06821 -0.04003 -0.00504 -0.33131 -0.11011 -0.41293 -0.23559 0.18497 -0.09306 0.15088 0.04301 -0.18864 0.37617 0.21177 0.16929 -0.12941 0.47805 -0.17770 -0.29751 0.16481 -0.01717 0.17332 -0.14189 0.15297 -0.17838 0.05640 0.17357 -0.05780 0.05466 -0.11242 0.03660 -0.22118 -0.26218 -0.03668 0.03849 0.26234 0.07995 -0.11594 -0.30680 -0.10761 0.03620 0.17011 0.06225 0.25375 0.72488 0.84105 0.69577 -0.15004 0.41587 -0.15069 -0.02526 0.27612 0.06798 -0.09016 -0.07623 0.10763 -0.31368 0.04211 -0.04540 0.30018 0.22517 0.12738 0.18616 0.49068 0.73098 0.69534 -1.30533 -0.08510 -0.13017 -0.14972 -0.00499 -0.10874 1.63939 0.12595 0.05645 0.06002 0.03841 0.16623 -0.02863 0.02038 0.00491 0.06850 0.08158 0.34649 -0.59059 -0.22243 0.03149 0.02728 0.12761 -0.29904 0.52014 -0.14175 -0.04829 -0.22281 -0.04593 0.09870 -0.02244 0.18844 -0.13147 -0.14468 -0.04085 0.00799 0.00618 0.02267 -0.03209 -0.00424 -0.00080 -0.00616 -0.00262 0.01325 -0.00133 -0.04820 0.01261 0.09349 -0.08868 -0.03465 0.06351 0.00572 0.01906 0.02373 -0.00873 0.01419 0.01310 -0.01572 -0.00043 -0.00192 -0.00028 0.00128 0.00411 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 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 H 1S 2S 47 H 1S 2S 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 1 3.4259 -2.0314 0.5474 4.0203 -150.6596 -154.4632 -144.9724 4.6806 5.4481 -4.3798 -0.6279 -4.4315 5.0594 4.6806 5.4481 -4.3798 -40.0890 -15.4926 16.1667 7.5468 -7.9722 -26.7921 -17.3640 -3.7790 -2.2323 1.7612 -7257.4215 -2037.1041 -1542.2107 23.1651 121.5520 16.8840 4.9663 -6.2352 25.9736 -1599.4348 -1459.5562 -599.8699 -27.4817 13.9275 -3.1735 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 312.2335999999998 AuxInfo=1/0/N:25,18,19,16,15,10,14,9,13,23,22,12,24,21,20,6,17,11,5,8,7,4,3,1,2/E:(2,3)/CRV:10.3,11.3,13.3,14.3,15.3,17.3/rA:55OOOCCCCCCCCCCCCCC3CCC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s2s5;s6;s4;s6;s1s5;s1s4;s7s10;s8;s9s14;s7;s11;s8;s8;s2s17;s3s17;s20;s21;s22s23;s24;s5;s6;s9;s9;s10;s10;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s16;s18;s18;s18;s19;s19;s19;s22;s23;s3;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4014237 0.1633788 0.1529188 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= 302 303 303 304 305 MxSgAt= 55 MxSgA2= 55. 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 55 55 55 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 55 55 55 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 55 55 55 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 55 55 55 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 55 55 55 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 55 55 55 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 55 55 55 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= 22155 NPrTT= 111300 LenC2= 19928 LenP2D= 62613. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 310 RedAO= T EigKep= 3.91D-04 NBF= 310 NBsUse= 310 1.00D-06 EigRej= -1.00D+00 NBFU= 310 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= 301 302 302 302 303 MxSgAt= 55 MxSgA2= 55. 1 Closed 1 0 1 -1080.04153343873 -1080.19809871293 -0.156565274198 -1080.54065780092 -0.342559087989 -1080.55066192956 -0.010004128645 -1080.56400924010 -0.013347310538 -1080.56512412452 -0.001114884416 -1080.56515061560 -0.000026491079 -1080.56515837871 -0.000007763114 -1080.56531185427 -0.000153475565 -1080.56531317040 -0.000001316122 -1080.56531287049 0.000000299903 -1080.56531361341 -0.000000742912 -1080.56531363935 -0.000000025942 -1080.56531364048 -0.000000001128 -1080.56531364069 -0.000000000215 -1080.56531364068 0.000000000014 -1080.56531364072 -0.000000000043 -1080.56531364 17 1.076499283981e+03 -7.498481427303e+03 2.850508821962e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=1177236375. IVT= 311300 IEndB= 311300 NGot= 4160749568 MDV= 2998553154 LenX= 2998553154 LenY= 2998456613 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 48205 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 1.34785793e+00 -7.99204671e-01 2.15357425e-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 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 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 -0.012577686 0.028510022 0.003614640 0.004721295 -0.009697445 -0.019830950 -0.016838615 0.017169242 0.008212121 0.006501209 0.002435277 -0.008841887 -0.000435046 -0.007320281 0.001202671 0.001528253 -0.002914009 -0.008594370 0.019838914 -0.017706375 0.026680006 0.007028667 -0.000233011 -0.001531614 -0.004362887 -0.001579331 -0.002641045 -0.000215436 0.004362476 -0.000837059 -0.016117775 -0.022449956 0.000669362 0.016640667 0.007627578 0.000386186 0.002821601 0.003694959 -0.005174009 -0.000785372 -0.000827307 -0.001613182 0.001137364 0.001598894 0.002490427 -0.004161383 0.000949288 0.001950724 0.010573773 -0.004358355 0.003491881 -0.001336253 0.000309736 0.000607483 -0.003495728 -0.002640870 0.000144298 -0.012187881 0.009647944 -0.007155236 -0.002796632 -0.010972712 -0.011687068 0.002802550 -0.008779960 -0.004139309 -0.008714011 0.010395407 0.002591733 -0.003303754 -0.001216944 -0.001701534 -0.007505481 -0.002767933 -0.002816166 0.005137045 -0.002456527 0.000574146 0.003588834 0.000094088 0.008703667 -0.006840057 0.000791012 0.004523283 -0.002951184 -0.006892500 -0.000635167 0.006156826 -0.001597816 0.000067188 -0.000653543 0.003619098 -0.006610267 -0.002324493 0.000797788 0.010130401 0.008901005 -0.001468908 0.006549666 0.000026987 0.005463641 -0.003821621 -0.004061580 -0.004984787 -0.002059847 -0.003430839 -0.001610997 0.007283571 0.000212931 -0.007341430 -0.002973195 0.006946502 0.003205597 -0.001488650 -0.003461633 0.001284792 -0.005601081 0.000739203 0.008071524 0.003419011 0.001507780 -0.004825517 -0.003341145 0.003868127 -0.000342139 0.004600049 -0.005516939 0.005056427 0.001001678 0.001829479 -0.001736960 0.006787646 0.005227764 0.000673325 -0.003851413 -0.007192665 0.005837560 0.001790173 0.003461664 0.005161562 -0.001858036 0.003097750 -0.003276637 0.006339984 -0.001868600 -0.005672863 -0.002891735 0.001488236 -0.004585456 -0.001638430 -0.003346707 0.003673433 0.001635992 0.017273942 0.008194202 0.009618824 -0.001485954 0.002852531 -0.007984540 -0.000088706 -0.005055577 -0.003893790 -0.005001527 0.003835201 0.000145535 0.028510022 0.007099797 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 0 1 -1080.58622433165 -1080.58629656641 -0.000072234760 -1080.58629444141 0.000002124998 -1080.58629825782 -0.000003816411 -1080.58629995126 -0.000001693445 -1080.58629980480 0.000000146466 -1080.58630009740 -0.000000292599 -1080.58630011356 -0.000000016158 -1080.58630011420 -0.000000000645 -1080.58630011438 -0.000000000184 -1080.58630011440 -0.000000000015 -1080.58630011 11 1.075041143666e+03 -7.456517649132e+03 2.830471908106e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=1177236375. IVT= 311300 IEndB= 311300 NGot= 4160749568 MDV= 2998553154 LenX= 2998553154 LenY= 2998456613 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 48205 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 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 -18.780526 -18.773033 -18.762683 -9.970813 -9.958959 -9.954872 -9.952906 -9.947016 -9.922480 -9.916098 -9.914868 -9.909737 -9.909415 -9.901898 -9.900454 -9.895050 -9.892549 -9.889702 -9.888673 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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 1.13240 0.85937 0.93991 0.92318 0.99823 1.06146 1.33762 0.28399 0.31960 0.45814 1.13236 0.85929 0.94125 0.94176 1.08710 1.19987 1.13148 0.29271 0.37177 0.33891 1.13228 0.85948 0.94459 0.89989 1.14539 1.12288 1.19368 0.34667 0.36590 0.42810 1.17438 0.81380 0.71627 0.59177 0.86270 0.83815 0.86460 0.00589 -0.07671 -0.10413 1.17427 0.81385 0.71243 0.67659 0.87237 0.87761 0.89553 0.09464 0.04164 0.15164 1.17438 0.81392 0.71492 0.67547 0.85603 0.84886 0.88935 0.02660 0.04060 0.12090 1.17451 0.81375 0.74305 0.50311 0.83570 0.90359 0.75565 -0.00041 -0.03801 -0.03300 1.17440 0.81394 0.72240 0.51166 0.85102 0.85060 0.85281 -0.03361 -0.05693 -0.05003 1.17425 0.81408 0.71679 0.68657 0.90030 0.91995 0.85117 0.13908 0.19825 0.08469 1.17426 0.81411 0.71759 0.66637 0.89821 0.86357 0.90310 0.15722 0.11888 0.20707 1.17440 0.81386 0.73013 0.64867 0.89375 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1.17444 0.81402 0.75846 0.39076 0.86193 0.87046 0.83309 -0.07915 -0.16527 0.01125 1.17420 0.81431 0.72373 0.73341 0.89547 0.93124 0.90371 0.19257 0.24524 0.20132 0.51512 0.23904 0.51556 0.29703 0.51481 0.23949 0.51554 0.23454 0.51714 0.26152 0.51644 0.24483 0.51643 0.21490 0.51574 0.27575 0.51883 0.25642 0.51063 0.26073 0.51288 0.28885 0.51543 0.28299 0.51445 0.28718 0.51387 0.27583 0.51673 0.28246 0.50901 0.25415 0.51008 0.27769 0.51047 0.24461 0.51107 0.28000 0.51095 0.27583 0.51769 0.24875 0.51091 0.27659 0.51103 0.27603 0.51406 0.26064 0.51280 0.23164 0.51183 0.23620 0.45829 0.15122 0.50717 0.25926 0.51060 0.26549 0.51027 0.26390 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 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 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 -0.313886 -0.296489 -0.438865 0.313297 -0.310571 -0.161038 0.342079 0.363709 -0.485130 -0.520373 -0.251523 -0.423232 -0.517751 -0.456175 -0.471719 -0.768601 0.132634 -0.768719 -0.783441 0.235807 0.154797 -0.627541 -0.572705 0.530021 -0.815201 0.245837 0.187414 0.245698 0.249923 0.221338 0.238725 0.268669 0.208508 0.224751 0.228641 0.198271 0.201585 0.198367 0.210303 0.200811 0.236843 0.212221 0.244925 0.208925 0.213222 0.233558 0.212502 0.212939 0.225309 0.255565 0.251976 0.390482 0.233577 0.223903 0.225829 0.00000 1.55032732e+00 -8.25595433e-01 -2.20491220e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.9405 -2.0985 -0.0560 4.4648 -150.5411 -153.7498 -147.6269 5.3620 7.7391 -6.1704 0.0982 -3.1105 3.0124 5.3620 7.7391 -6.1704 -40.7841 -10.1175 6.7528 9.1304 -8.7514 -33.4528 -14.0339 -10.4208 -3.7622 6.0123 -7185.1436 -2123.2696 -1599.3842 16.8839 104.0797 19.1705 14.8260 -27.2581 17.5859 -1614.2342 -1455.8964 -632.6107 -30.0664 8.7323 11.3011 0 -1080.5863001 9.73E-9 3.975E-5 0.0729766,-2.3126051,2.2396285,3.9865375,5.7538354,-4.5875386 C01 [X(C22H30O3)] 1.5503273 -0.8255954 -0.0220491 @ 0.000025033 -0.000095844 0.000031103 -0.000057902 0.000032383 0.000124328 -0.000072018 -0.000052686 -0.000103426 0.000009342 0.000027256 -0.000046166 0.000033782 -0.000035373 0.000027423 0.000018882 -0.000014563 -0.000066859 0.000028694 -0.000031361 -0.000058834 0.000018132 0.000015054 -0.000006209 -0.000053515 -0.000005484 0.000029097 -0.000051331 -0.000065519 0.000037522 -0.000106719 0.000057834 0.000065406 0.000050947 0.000032324 0.000026372 0.000091032 0.000018092 -0.000055726 0.000004866 -0.000024285 -0.000005666 0.000009082 0.000024630 -0.000043026 -0.000077589 0.000029574 0.000079522 0.000045660 -0.000031863 -0.000034486 0.000010389 -0.000003025 -0.000067366 0.000055401 0.000005227 -0.000030324 0.000098404 -0.000041291 -0.000068672 0.000040675 0.000125462 0.000062944 -0.000058965 -0.000047163 0.000015280 -0.000100869 0.000079151 -0.000014926 0.000066823 -0.000024873 -0.000012429 -0.000010364 -0.000037558 0.000012733 0.000013374 0.000005777 0.000022082 0.000009925 0.000005345 0.000037757 -0.000016512 -0.000014836 -0.000006055 -0.000042589 -0.000014773 -0.000009055 -0.000046768 -0.000047493 0.000053992 0.000007901 -0.000020369 0.000019853 -0.000008076 0.000044300 0.000018769 0.000005829 0.000017605 0.000033393 -0.000005305 0.000012062 -0.000048423 -0.000011199 -0.000005307 0.000006327 -0.000011060 0.000021440 0.000046361 0.000003483 -0.000035275 -0.000013202 0.000031107 0.000001590 -0.000008155 -0.000010668 -0.000014912 -0.000035367 0.000004332 0.000010812 -0.000009090 0.000021345 0.000004422 -0.000016464 0.000009312 0.000036476 0.000026546 -0.000018986 0.000025525 -0.000008448 0.000001653 -0.000009544 0.000029895 0.000025549 -0.000004625 -0.000029337 -0.000045266 0.000028339 -0.000001556 0.000023041 0.000019721 -0.000001899 -0.000001414 -0.000006359 0.000035390 0.000015956 0.000009449 -0.000001069 0.000021278 -0.000033586 0.000007040 -0.000010848 -0.000006744 0.000005141 0.000023819 0.000063217 -0.000026949 -0.000005713 0.000012646 -0.000020174 0.000021924 -0.000048676 -0.000026334 -0.000023297 0.000007677 0.000021415 312.2335999999998 AuxInfo=1/0/N:25,18,19,16,15,10,14,9,13,23,22,12,24,21,20,6,17,11,5,8,7,4,3,1,2/E:(2,3)/CRV:10.3,11.3,13.3,14.3,15.3,17.3/rA:55OOOCCCCCCCCCCCCCC3CCC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s2s5;s6;s4;s6;s1s5;s1s4;s7s10;s8;s9s14;s7;s11;s8;s8;s2s17;s3s17;s20;s21;s22s23;s24;s5;s6;s9;s9;s10;s10;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s16;s18;s18;s18;s19;s19;s19;s22;s23;s3;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2125 CBGUSER 000071902 EM64L-G09RevD.01 8-Jun-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 159 C1[X(C22H30O3)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 312.2335999999998 0 1 AuxInfo=1/0/N:25,18,19,16,15,10,14,9,13,23,22,12,24,21,20,6,17,11,5,8,7,4,3,1,2/E:(2,3)/CRV:10.3,11.3,13.3,14.3,15.3,17.3/rA:55OOOCCCCCCCCCCCCCC3CCC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s2s5;s6;s4;s6;s1s5;s1s4;s7s10;s8;s9s14;s7;s11;s8;s8;s2s17;s3s17;s20;s21;s22s23;s24;s5;s6;s9;s9;s10;s10;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s16;s18;s18;s18;s19;s19;s19;s22;s23;s3;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-26332.inp" -scrdir="/scratch/" chk=000071902-Freq.chk nprocshared=8 mem=31GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000071902 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 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 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 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 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 (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| 0.000380 0.000089 0.149384 0.023328 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.458779e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2470.4182750864 310 720 310 93 93 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 55 55 55 1.00e+00 60 F C22H30O3 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 0 312.2335999999998 AuxInfo=1/0/N:25,18,19,16,15,10,14,9,13,23,22,12,24,21,20,6,17,11,5,8,7,4,3,1,2/E:(2,3)/CRV:10.3,11.3,13.3,14.3,15.3,17.3/rA:55OOOCCCCCCCCCCCCCC3CCC3C3C3C3C3CHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s4;s2s5;s6;s4;s6;s1s5;s1s4;s7s10;s8;s9s14;s7;s11;s8;s8;s2s17;s3s17;s20;s21;s22s23;s24;s5;s6;s9;s9;s10;s10;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s16;s18;s18;s18;s19;s19;s19;s22;s23;s3;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4014237 0.1633788 0.1529188 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= 22155 NPrTT= 111300 LenC2= 19928 LenP2D= 62613. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 310 RedAO= T EigKep= 3.91D-04 NBF= 310 NBsUse= 310 1.00D-06 EigRej= -1.00D+00 NBFU= 310 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= 300 300 301 302 302 MxSgAt= 55 MxSgA2= 55. 1 Closed 1 0 1 -1080.10093238175 -1080.24157680300 -0.140644421249 -1080.56098893858 -0.319412135585 -1080.57055348194 -0.009564543359 -1080.58528198996 -0.014728508017 -1080.58649694750 -0.001214957540 -1080.58653026437 -0.000033316876 -1080.58653843113 -0.000008166754 -1080.58616761051 0.000370820615 -1080.58616990525 -0.000002294736 -1080.58616920094 0.000000704312 -1080.58617044631 -0.000001245379 -1080.58617047535 -0.000000029037 -1080.58617047701 -0.000000001662 -1080.58617047745 -0.000000000438 -1080.58617047748 -0.000000000027 -1080.58617047752 -0.000000000038 -1080.58617048 17 1.075041737107e+03 -7.456518192575e+03 2.830472009904e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=1177236895. IVT= 311820 IEndB= 311820 NGot= 4160749568 MDV= 2998552634 LenX= 2998552634 LenY= 2998456093 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 48205 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 55. Will process 56 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 IDoAtm=11111 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= 4160748704 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=1176941051. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 48205 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 168 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 165 vectors produced by pass 0 Test12= 2.02D-14 1.00D-09 XBig12= 3.18D+02 7.54D+00. AX will form 165 AO Fock derivatives at one time. 165 vectors produced by pass 1 Test12= 2.02D-14 1.00D-09 XBig12= 6.71D+01 1.50D+00. 165 vectors produced by pass 2 Test12= 2.02D-14 1.00D-09 XBig12= 2.38D-01 3.28D-02. 165 vectors produced by pass 3 Test12= 2.02D-14 1.00D-09 XBig12= 8.39D-05 5.97D-04. 86 vectors produced by pass 4 Test12= 2.02D-14 1.00D-09 XBig12= 8.10D-09 8.76D-06. 4 vectors produced by pass 5 Test12= 2.02D-14 1.00D-09 XBig12= 5.98D-13 5.34D-08. 2 vectors produced by pass 6 Test12= 2.02D-14 1.00D-09 XBig12= 8.95D-16 2.42D-09. InvSVY: IOpt=1 It= 1 EMax= 1.24D-14 Solved reduced A of dimension 752 with 168 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 236.77 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 285.806 10.281 219.586 -20.064 7.534 204.921 427.408 38.916 413.689 -45.188 50.941 386.252 (Enter /mnt/data/applications/G09/g09/l716.exe) PT6923S Thu Jun 8 06:44:08 2017 -18.78053 -18.77303 -18.76268 -9.97082 -9.95895 -9.95486 -9.95290 -9.94701 -9.92248 -9.91610 -9.91486 -9.90972 -9.90941 -9.90190 -9.90044 -9.89503 -9.89255 -9.88971 -9.88868 -9.88482 -9.88421 -9.88408 -9.88350 -9.88331 -9.88308 -0.95758 -0.94837 -0.93112 -0.78416 -0.76832 -0.75012 -0.71642 -0.71279 -0.69036 -0.67978 -0.66155 -0.65179 -0.62094 -0.61867 -0.61274 -0.60414 -0.56942 -0.55436 -0.54706 -0.53891 -0.53154 -0.51447 -0.47643 -0.47535 -0.46660 -0.45438 -0.43825 -0.42609 -0.42322 -0.41867 -0.40791 -0.40429 -0.39657 -0.39386 -0.38518 -0.37883 -0.37693 -0.36816 -0.36578 -0.36367 -0.36051 -0.35591 -0.34760 -0.34371 -0.33922 -0.33771 -0.33307 -0.32652 -0.32022 -0.31726 -0.31491 -0.31162 -0.30649 -0.30282 -0.29980 -0.29468 -0.29227 -0.29087 -0.27864 -0.27199 -0.26110 -0.25624 -0.25391 -0.24911 -0.23756 -0.21495 -0.19042 -0.17647 -0.02757 -0.01307 0.03198 0.04572 0.06433 0.07371 0.08027 0.08171 0.08806 0.09032 0.09638 0.09790 0.10820 0.10898 0.11317 0.11618 0.12131 0.12404 0.12579 0.13104 0.13322 0.13817 0.14119 0.14411 0.14797 0.15613 0.15673 0.15884 0.16199 0.16364 0.17011 0.17085 0.17292 0.17733 0.18045 0.18150 0.18498 0.18962 0.19158 0.19541 0.20292 0.20643 0.20847 0.21417 0.21435 0.21870 0.22109 0.22531 0.22966 0.23498 0.23820 0.24408 0.24987 0.25374 0.25734 0.26591 0.26925 0.27304 0.28031 0.28508 0.29062 0.29805 0.30142 0.30884 0.31394 0.31796 0.32207 0.32443 0.33531 0.33886 0.34034 0.35019 0.35740 0.36927 0.37215 0.37425 0.38022 0.38191 0.38829 0.39099 0.39414 0.40040 0.40211 0.40994 0.41217 0.41699 0.43051 0.43304 0.43843 0.44479 0.45007 0.45593 0.46180 0.46515 0.46927 0.47672 0.48050 0.49295 0.50027 0.50745 0.51198 0.51658 0.52698 0.53643 0.53970 0.55489 0.55834 0.56581 0.56676 0.58263 0.58918 0.60476 0.61889 0.62993 0.64314 0.65020 0.66543 0.66706 0.68447 0.72115 0.73688 0.74642 0.75736 0.76824 0.78086 0.82066 0.82820 0.83994 0.84722 0.86012 0.87928 0.88723 0.89175 0.90225 0.90917 0.92427 0.93808 0.95678 0.95855 0.97286 0.97872 0.98946 0.99730 1.01081 1.01123 1.02452 1.03969 1.04244 1.04800 1.04979 1.05933 1.06993 1.08216 1.08578 1.09460 1.09907 1.10424 1.10818 1.11117 1.12296 1.12972 1.14109 1.15553 1.16196 1.17240 1.18112 1.19244 1.19376 1.21093 1.22043 1.23664 1.23970 1.25841 1.26950 1.28636 1.29072 1.30450 1.31598 1.32600 1.33459 1.36245 1.40074 1.41776 1.43444 1.46902 1.50517 1.53092 1.55588 1.58779 1.74701 1.83794 1.89241 22.34034 22.45590 22.53689 22.56332 22.57310 22.60052 22.61129 22.61944 22.63161 22.64509 22.65290 22.65692 22.67005 22.68950 22.70211 22.70936 22.71612 22.72429 22.73273 22.74199 22.77148 22.81647 41.54743 41.56293 41.62298 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 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 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 -0.313878 -0.296552 -0.438855 0.313372 -0.311039 -0.160878 0.342219 0.363676 -0.484862 -0.519955 -0.251441 -0.423302 -0.517953 -0.456222 -0.471807 -0.768568 0.132744 -0.768582 -0.783444 0.235911 0.154624 -0.627361 -0.572594 0.529807 -0.815203 0.245910 0.187349 0.245632 0.249809 0.221268 0.238571 0.268626 0.208520 0.224763 0.228669 0.198301 0.201589 0.198390 0.210313 0.200846 0.236842 0.212215 0.244907 0.208892 0.213200 0.233560 0.212479 0.212920 0.225287 0.255535 0.251960 0.390479 0.233580 0.223903 0.225832 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 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 -0.313878 -0.296552 -0.048375 0.313372 -0.065129 0.026471 0.342219 0.363676 0.010579 -0.060116 0.017184 0.009981 -0.090984 -0.056243 -0.060649 -0.074603 0.132744 -0.112930 -0.132759 0.235911 0.154624 -0.371827 -0.320634 0.529807 -0.131887 0.00000 1.54579293e+00 8.29260024e-01 9.16965335e-02 2.85805828e+02 1.02808102e+01 2.19585570e+02 -2.00641538e+01 7.53424490e+00 2.04921485e+02 -48.1122 -21.4981 -15.4096 -4.9634 0.0002 0.0002 0.0006 41.5003 69.3692 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -48.0647 41.4509 69.3383 78.9701 113.1741 143.4249 151.6271 175.1679 189.0301 196.3343 199.1195 214.1838 229.2137 236.3536 241.5275 247.5766 251.4982 270.4782 283.6390 292.0966 309.2957 317.5494 333.2091 361.6252 373.3644 380.5902 391.5832 426.2090 443.5792 461.7776 476.5253 484.8129 494.5541 513.0742 527.0365 531.6743 563.3670 573.8543 589.3073 596.0286 638.1170 648.6242 694.6058 699.7086 712.2770 727.8068 746.3774 782.3777 823.2065 836.9830 844.3531 847.8913 855.6570 867.3418 868.9884 875.0807 890.8405 899.5262 906.2055 932.3832 940.7591 957.5201 965.3849 966.1956 977.0288 983.9828 995.7361 1001.9481 1010.5320 1032.5479 1044.5104 1051.5165 1057.6331 1062.9808 1077.8942 1084.5157 1087.6370 1123.9387 1137.0824 1150.8519 1165.2632 1170.2942 1172.0142 1180.2825 1191.5234 1205.8525 1210.5581 1219.1218 1234.1981 1251.0978 1261.5198 1277.0215 1278.9934 1286.7977 1293.0229 1304.1252 1310.9642 1312.3288 1327.9870 1332.0835 1335.7073 1337.8501 1347.2446 1355.0680 1357.3258 1361.2790 1377.1362 1384.8174 1387.3099 1395.1926 1397.4286 1444.2626 1445.7049 1457.4152 1462.7218 1467.2746 1468.5419 1471.5007 1472.8651 1474.1638 1474.7792 1477.0298 1479.0605 1487.4392 1489.2085 1495.7962 1503.9454 1577.7748 1637.6016 2919.3838 2963.4341 2967.8160 2968.2227 2974.3776 2976.1191 2977.2807 2979.1609 2980.1078 2985.0460 2997.7822 3008.8135 3014.9052 3022.4357 3033.5079 3040.7567 3054.3920 3057.9509 3060.6572 3065.1618 3075.3482 3081.7058 3084.3632 3087.1797 3089.8974 3092.9055 3102.9744 3151.5536 3158.2853 3312.5398 1.0098 4.2295 4.3434 3.7668 3.4700 2.6777 2.0876 2.3202 2.9511 3.1268 2.1339 2.4685 3.4487 1.1339 1.8884 2.5064 2.6348 3.0188 3.0303 2.4192 2.2876 2.7296 2.5428 4.3803 2.6229 3.5989 2.2545 2.9030 2.8974 3.1670 3.2064 3.5081 3.6088 3.4693 4.0712 2.9327 4.0190 3.9674 3.6227 4.1431 3.2913 5.0078 3.3283 1.1495 2.6441 3.5735 3.1021 3.6071 3.1551 2.3043 3.1536 1.6528 1.8389 2.5986 1.4984 2.9247 2.4362 2.4600 2.9092 1.5011 2.0610 2.1346 1.9182 1.9285 3.0640 1.9295 1.6962 1.9507 1.7757 2.8161 1.5515 1.9258 1.7822 1.8143 2.4311 2.2778 2.1084 2.0713 1.5775 1.7330 1.8266 1.8044 2.2601 1.5732 1.8388 1.6492 1.7342 1.8665 2.0045 1.7824 1.2874 1.4679 1.7354 1.5874 1.7448 1.3764 1.4760 1.7236 2.0563 1.4968 1.5020 1.5617 1.5368 1.5254 1.5210 1.5585 1.2068 4.6987 1.2496 1.2309 1.2042 1.1891 2.0999 1.0621 1.0855 1.0675 1.0726 1.0888 1.0708 1.1923 1.0921 1.0536 1.0621 2.0619 1.2958 1.0738 1.0628 6.7854 6.6643 1.0830 1.0561 1.0640 1.0560 1.0617 1.0387 1.0494 1.0577 1.0594 1.0411 1.0848 1.0642 1.0876 1.0785 1.0900 1.0971 1.0992 1.0949 1.0984 1.1014 1.0981 1.0992 1.0999 1.0999 1.1001 1.0992 1.0936 1.0914 1.0924 1.0670 0.0014 0.0043 0.0123 0.0138 0.0262 0.0325 0.0283 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