Gaussian 09 GINC-KIMIK2034 CBGUSER 000246485 EM64L-G09RevD.01 25-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 276.20149999999984 0 1 AuxInfo=1/0/N:19,18,12,15,21,9,16,10,20,14,22,5,4,6,13,17,11,8,7,3,2,1/CRV:11.3,16.3,20.1,21.1/rA:50OO1O1CCCCCCCCCCCCCC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s4;s6;s6;s7s9;s1s7;s4;s8;s5;s11s12;s8;s2s13s14;s7;s8;s13;s16;s3s20s21;s4;s5;s6;s9;s9;s10;s10;s11;s12;s12;s13;s14;s14;s15;s15;s16;s16;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-31648.inp" -scrdir="/scratch/" chk=000246485.chk nprocshared=4 mem=7GB #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInp 1/7=-1,11=1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,11=1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000246485 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 16 16 16 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 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 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 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 (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 1 1 2 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 16 18 18 18 19 19 19 20 20 20 21 21 21 11 50 17 22 5 7 12 23 6 14 24 8 9 25 10 11 18 13 16 19 10 26 27 28 29 15 30 15 31 32 17 20 33 17 34 35 36 37 21 38 39 40 41 42 43 44 45 22 46 47 22 48 49 1.4236 0.9775 1.2085 1.2104 1.5342 1.5623 1.5388 1.1217 1.5588 1.5369 1.1178 1.5647 1.5446 1.1185 1.5365 1.5642 1.5346 1.5621 1.5509 1.5343 1.5393 1.1088 1.1071 1.1057 1.1066 1.5521 1.111 1.5451 1.1008 1.1027 1.5256 1.5286 1.1222 1.513 1.1101 1.1078 1.102 1.1018 1.5288 1.1081 1.1081 1.0948 1.0969 1.0968 1.0967 1.096 1.0958 1.5113 1.1125 1.1126 1.5146 1.1107 1.1104 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 11 5 5 5 7 7 12 4 4 4 6 6 14 5 5 5 8 8 9 4 4 4 10 10 11 6 6 6 13 13 16 6 6 6 10 10 26 7 7 7 9 9 28 1 1 1 7 7 15 4 4 4 15 15 31 8 8 8 17 17 20 5 5 5 17 17 34 11 11 11 12 12 36 8 8 8 21 21 38 2 2 13 7 7 7 40 40 41 8 8 8 43 43 44 13 13 13 22 22 46 16 16 16 22 22 48 3 3 20 1 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 20 20 20 21 21 21 21 21 21 22 22 22 50 7 12 23 12 23 23 6 14 24 14 24 24 8 9 25 9 25 25 10 11 18 11 18 18 13 16 19 16 19 19 10 26 27 26 27 27 9 28 29 28 29 29 7 15 30 15 30 30 15 31 32 31 32 32 17 20 33 20 33 33 17 34 35 34 35 35 12 36 37 36 37 37 21 38 39 38 39 39 13 14 14 40 41 42 41 42 42 43 44 45 44 45 45 22 46 47 46 47 47 22 48 49 48 49 49 20 21 21 111.7316 110.62 119.6311 107.2914 103.9741 107.993 106.8157 107.502 111.1979 109.59 111.3734 109.1003 108.0542 110.7789 111.2549 107.6136 112.1164 107.5657 107.2719 107.5284 100.2131 113.722 115.2814 110.2191 109.6375 107.3461 109.6602 111.0931 107.2234 111.1202 110.2775 113.6089 109.6375 109.5356 109.1745 108.7683 105.8191 110.3521 110.5066 110.2737 110.1686 109.9145 105.5234 114.2892 111.9492 101.4969 105.0459 112.0849 112.232 104.1096 111.9201 111.5963 111.7035 111.2632 106.3707 110.0242 112.7882 107.9044 111.098 107.0478 107.7338 111.3137 109.9496 111.0742 109.7206 109.4803 105.118 107.0762 110.6548 110.5735 111.5262 111.3615 105.7064 113.2717 109.6681 109.7673 109.3099 108.8995 105.6385 123.4649 122.2634 114.2622 111.9875 110.7288 111.5929 108.3142 106.981 107.0104 112.0026 111.4166 111.8354 107.3389 106.745 107.2103 112.2204 110.6376 110.1898 109.5526 110.1196 103.7955 113.0844 110.0581 110.5646 109.4014 108.3127 105.097 121.7295 121.4099 116.8249 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 50 50 50 7 7 7 12 12 12 23 23 23 5 5 5 12 12 12 23 23 23 5 5 5 7 7 7 23 23 23 4 4 4 14 14 14 24 24 24 4 4 4 6 6 6 24 24 24 5 5 5 9 9 9 25 25 25 5 5 5 8 8 8 25 25 25 4 4 4 11 11 11 18 18 18 4 4 4 10 10 10 18 18 18 4 4 4 10 10 10 11 11 11 6 6 6 16 16 16 19 19 19 6 6 6 13 13 13 19 19 19 6 6 6 13 13 13 16 16 16 6 6 6 26 26 26 27 27 27 1 1 1 7 7 7 30 30 30 4 4 4 31 31 31 32 32 32 8 8 20 20 33 33 8 8 8 17 17 17 33 33 33 5 5 34 34 35 35 8 8 8 38 38 38 39 39 39 13 13 46 46 47 47 16 16 48 48 49 49 1 1 1 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 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 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 20 20 20 20 20 20 21 21 21 21 21 21 11 11 11 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 12 12 12 6 6 6 6 6 6 6 6 6 14 14 14 14 14 14 14 14 14 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 11 11 11 18 18 18 18 18 18 18 18 18 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 19 19 19 19 19 19 19 19 19 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 17 17 17 17 17 17 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 22 22 22 7 15 30 6 14 24 6 14 24 6 14 24 10 11 18 10 11 18 10 11 18 15 31 32 15 31 32 15 31 32 8 9 25 8 9 25 8 9 25 17 34 35 17 34 35 17 34 35 13 16 19 13 16 19 13 16 19 10 26 27 10 26 27 10 26 27 9 28 29 9 28 29 9 28 29 1 15 30 1 15 30 1 15 30 40 41 42 40 41 42 40 41 42 17 20 33 17 20 33 17 20 33 21 38 39 21 38 39 21 38 39 43 44 45 43 44 45 43 44 45 7 28 29 7 28 29 7 28 29 12 36 37 12 36 37 12 36 37 11 36 37 11 36 37 11 36 37 2 14 2 14 2 14 22 46 47 22 46 47 22 46 47 2 13 2 13 2 13 22 48 49 22 48 49 22 48 49 3 21 3 21 3 21 3 20 3 20 3 20 60.1955 -59.0747 -178.9587 63.2185 -174.6296 -55.2327 -176.0607 -53.9088 65.488 -54.3495 67.8024 -172.8007 -65.1555 174.0492 57.1667 165.2015 44.4062 -72.4762 51.9811 -68.8142 174.3033 -159.8101 79.3813 -39.6998 -35.8199 -156.6284 84.2904 78.2436 -42.565 -161.6461 179.0722 -55.5006 61.7407 57.0293 -177.5435 -60.3021 -62.1614 63.2658 -179.4928 -171.3663 66.8344 -49.092 -51.4873 -173.2867 70.7869 68.3248 -53.4746 -169.401 -60.0117 -176.1794 61.6623 175.0471 58.8793 -63.279 57.3491 -58.8186 179.0231 52.2305 -70.218 174.0781 176.9087 54.4602 -61.2437 -65.2184 172.333 56.6291 57.9481 -64.1492 179.5701 168.73 46.6326 -69.648 -66.5182 171.3845 55.1039 -159.0164 -35.9266 86.206 85.9257 -150.9845 -28.8519 -39.1284 83.9614 -153.906 55.4819 176.4884 -64.4216 176.3072 -62.6863 56.4036 -55.7676 65.2389 -175.6711 59.1098 -176.2325 -57.3557 176.8747 -58.4675 60.4093 -62.5472 62.1105 -179.0127 173.2066 50.7957 -64.8397 56.9613 -65.4496 178.9151 -64.1499 173.4393 57.8039 -60.1188 60.1308 -179.8989 59.3245 179.574 -60.4557 178.0822 -61.6682 58.3021 -53.6134 68.6829 -175.448 69.0904 -168.6133 -52.7442 -175.8865 -53.5902 62.279 139.5525 17.8158 -98.9603 14.9722 -106.7644 136.4595 -107.0648 131.1986 14.4225 12.7216 133.9089 -108.2678 133.6751 -105.1375 12.6857 -107.6132 13.5741 131.3974 123.8553 -57.2459 -1.7698 177.129 -119.1438 59.755 52.4832 -70.2116 175.5844 176.5518 53.8571 -60.3469 -66.4929 170.8124 56.6084 -128.4552 52.6311 -6.523 174.5634 108.3544 -70.5592 -49.8742 -172.5601 71.7739 72.7356 -49.9503 -165.6163 -172.3115 65.0026 -50.6634 138.1786 -43.9674 -98.5154 79.3386 15.0378 -167.1082 -139.4431 42.6956 -16.3927 165.7459 97.6504 -80.2109 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 300 300 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 50 50 50 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= 17766 NPrTT= 88956 LenC2= 15985 LenP2D= 51325. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 276 RedAO= T EigKep= 7.85D-04 NBF= 276 NBsUse= 276 1.00D-06 EigRej= -1.00D+00 NBFU= 276 Using GEDIIS/GDIIS optimizer. local minimum Step number 10 out of a maximum of 300 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00148 0.00196 0.00313 0.00424 0.00462 0.00494 0.00553 0.00586 0.00657 0.00723 0.01149 0.01319 0.01362 0.01748 0.01771 0.02058 0.02372 0.02579 0.02830 0.03414 0.03496 0.03627 0.03824 0.03950 0.04084 0.04203 0.04290 0.04368 0.04400 0.04555 0.04599 0.04726 0.04771 0.04808 0.04845 0.04882 0.04971 0.05191 0.05245 0.05252 0.05326 0.05451 0.05484 0.05505 0.05549 0.05602 0.05654 0.05738 0.05776 0.05863 0.06074 0.06202 0.06860 0.07057 0.07246 0.07271 0.07487 0.08075 0.08132 0.08404 0.08566 0.08650 0.08990 0.09242 0.09456 0.09632 0.09942 0.10152 0.10958 0.11581 0.11939 0.12569 0.13632 0.13963 0.14173 0.15230 0.15765 0.15968 0.15978 0.16004 0.16015 0.16068 0.16167 0.16549 0.16938 0.18122 0.18947 0.19590 0.20891 0.21178 0.21656 0.21914 0.24761 0.24993 0.25018 0.26141 0.26681 0.26792 0.27057 0.27279 0.27673 0.27936 0.28119 0.28267 0.28396 0.28803 0.28894 0.29088 0.29278 0.29811 0.30383 0.30663 0.31133 0.31379 0.31525 0.31744 0.31870 0.32333 0.32363 0.32497 0.32538 0.32571 0.32596 0.32798 0.32814 0.32818 0.32852 0.32955 0.33049 0.33092 0.33427 0.33479 0.33540 0.33693 0.34049 0.34072 0.34108 0.34269 0.34330 0.34891 0.41104 0.51604 0.81394 1.00099 RFO step: Lambda=-1.16045709D-07. 1 2 0.00075644 0.00000038 0.00000031 0.00000013 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 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 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 2.77131 1.87269 2.38174 2.38195 2.91288 2.94528 2.93267 2.10931 2.95844 2.94416 2.09559 2.98351 2.94316 2.10991 2.91875 2.95418 2.93094 2.99293 2.94654 2.93328 2.93709 2.09230 2.08996 2.09855 2.09194 2.96228 2.08957 2.95949 2.08613 2.09118 2.89216 2.92086 2.10294 2.87692 2.08488 2.09948 2.09336 2.08515 2.93439 2.09696 2.09000 2.09003 2.08988 2.08345 2.08617 2.08731 2.08545 2.88023 2.09401 2.08446 2.88767 2.08617 2.09711 1.89724 1.97356 2.08951 1.85408 1.82094 1.84829 1.86193 1.90069 1.94000 1.89531 1.94253 1.90598 1.87847 1.95802 1.94834 1.85147 1.98876 1.84803 1.85776 1.88784 1.73433 1.98520 2.01560 1.93179 1.90344 1.86793 1.91923 1.94855 1.86745 1.93634 1.92195 1.97515 1.91978 1.90977 1.90796 1.89236 1.85477 1.94326 1.90140 1.93328 1.90361 1.91713 1.86314 2.02153 1.98951 1.79633 1.82424 1.90131 1.93157 1.80954 1.95976 1.93195 1.95543 1.94075 1.86792 1.90784 1.99111 1.84008 1.95994 1.86291 1.89364 1.94158 1.94016 1.89108 1.90655 1.89442 1.88869 1.85365 1.91610 1.93430 1.94213 1.95915 1.85948 1.99262 1.89667 1.91607 1.90005 1.88959 1.86460 2.14130 2.14419 1.99685 1.96087 1.91391 1.96146 1.88770 1.86682 1.86923 1.95926 1.93005 1.95070 1.88516 1.86297 1.87166 1.94751 1.90607 1.93391 1.91294 1.90544 1.85567 1.97021 1.93716 1.91020 1.89626 1.87829 1.86804 2.13334 2.12899 2.02086 1.26427 -0.85370 -2.94639 1.03069 -3.10630 -1.04307 -3.09569 -0.94950 1.11374 -0.98922 1.15698 -3.06298 -1.06206 3.11152 1.09163 2.92278 0.81317 -1.20672 0.96130 -1.14831 3.11498 -2.82901 1.33992 -0.74645 -0.60004 -2.71429 1.48252 1.35163 -0.76263 -2.84900 3.10302 -0.92357 1.09306 0.95834 -3.06824 -1.05162 -1.11310 1.14350 -3.12306 -2.99526 1.15904 -0.91417 -0.87331 -3.00220 1.20777 1.21455 -0.91434 -2.98755 -1.02802 -3.05051 1.09397 3.01977 0.99728 -1.14143 0.98403 -1.03846 3.10602 0.90441 -1.23519 3.01667 -3.13844 1.00515 -1.02617 -1.10836 3.03523 1.00391 0.98032 -1.11977 3.11910 2.90465 0.80456 -1.23976 -1.20533 2.97777 0.93345 -2.91359 -0.70931 1.35575 1.35576 -2.72315 -0.65809 -0.83212 1.37216 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0.00008 0.00003 -0.00002 0.00004 -0.00008 0.00003 0.00010 -0.00001 -0.00001 -0.00008 0.00001 0.00003 0.00000 -0.00004 -0.00002 -0.00001 -0.00002 -0.00006 -0.00005 -0.00004 -0.00002 -0.00007 -0.00010 0.00002 -0.00005 0.00023 -0.00008 -0.00003 -0.00007 0.00008 -0.00012 0.00004 -0.00004 0.00010 0.00001 0.00006 -0.00007 0.00007 -0.00011 0.00002 -0.00010 0.00015 0.00002 0.00003 -0.00025 0.00018 -0.00010 -0.00004 -0.00003 0.00019 -0.00012 0.00011 -0.00007 -0.00002 0.00011 0.00001 -0.00004 0.00002 -0.00030 0.00013 0.00002 0.00017 -0.00007 0.00008 0.00012 0.00005 -0.00020 0.00018 -0.00005 -0.00012 0.00006 0.00016 -0.00010 0.00007 -0.00014 -0.00005 0.00008 0.00009 0.00002 0.00002 -0.00013 -0.00010 0.00030 0.00009 0.00001 -0.00012 -0.00023 -0.00008 0.00008 0.00015 -0.00011 -0.00012 -0.00003 0.00003 -0.00003 0.00004 0.00004 -0.00008 0.00003 0.00000 -0.00001 -0.00008 0.00012 0.00011 -0.00013 -0.00010 0.00001 0.00024 -0.00015 -0.00002 0.00004 -0.00002 0.00001 0.00001 -0.00002 -0.00035 0.00005 -0.00004 0.00006 0.00011 0.00020 -0.00028 -0.00002 -0.00009 0.00009 0.00014 0.00019 0.00008 0.00005 -0.00013 0.00109 0.00070 0.00095 -0.00006 -0.00001 0.00009 0.00019 0.00024 0.00034 0.00012 0.00018 0.00027 -0.00043 -0.00051 -0.00081 -0.00057 -0.00064 -0.00095 -0.00060 -0.00067 -0.00097 0.00017 -0.00004 -0.00001 0.00025 0.00005 0.00007 0.00024 0.00004 0.00006 -0.00002 0.00014 0.00015 -0.00009 0.00006 0.00008 -0.00022 -0.00006 -0.00005 0.00065 0.00052 0.00055 0.00065 0.00052 0.00055 0.00069 0.00056 0.00059 -0.00035 -0.00049 -0.00059 -0.00050 -0.00064 -0.00073 -0.00050 -0.00064 -0.00073 0.00018 0.00023 0.00016 0.00030 0.00035 0.00028 0.00022 0.00027 0.00019 0.00064 0.00054 0.00035 0.00079 0.00068 0.00050 0.00086 0.00075 0.00057 0.00049 0.00078 0.00071 0.00050 0.00079 0.00072 0.00066 0.00094 0.00088 -0.00068 -0.00068 -0.00101 -0.00099 -0.00098 -0.00131 -0.00099 -0.00098 -0.00131 0.00019 0.00035 0.00029 0.00018 0.00034 0.00028 0.00036 0.00053 0.00046 -0.00045 -0.00035 -0.00040 -0.00041 -0.00031 -0.00036 -0.00044 -0.00035 -0.00039 0.00042 0.00045 0.00044 0.00019 0.00022 0.00021 0.00042 0.00044 0.00044 -0.00051 -0.00042 -0.00027 -0.00057 -0.00049 -0.00034 -0.00056 -0.00048 -0.00033 -0.00028 -0.00027 -0.00033 -0.00060 -0.00059 -0.00065 -0.00058 -0.00057 -0.00063 0.00020 0.00037 0.00030 0.00046 0.00063 0.00057 0.00035 0.00052 0.00045 0.00104 0.00044 0.00084 0.00024 0.00103 0.00043 0.00032 0.00044 0.00019 0.00053 0.00065 0.00040 0.00032 0.00043 0.00019 -0.00146 -0.00085 -0.00122 -0.00061 -0.00151 -0.00090 -0.00027 -0.00017 -0.00033 -0.00030 -0.00020 -0.00036 -0.00032 -0.00023 -0.00039 -0.00143 -0.00116 -0.00155 -0.00128 -0.00121 -0.00094 0.00147 0.00120 0.00132 0.00105 0.00166 0.00139 2.77131 1.87268 2.38180 2.38204 2.91292 2.94533 2.93271 2.10934 2.95837 2.94402 2.09563 2.98348 2.94314 2.10992 2.91864 2.95429 2.93086 2.99271 2.94663 2.93336 2.93704 2.09235 2.08997 2.09854 2.09193 2.96241 2.08955 2.95944 2.08610 2.09123 2.89218 2.92093 2.10302 2.87695 2.08486 2.09952 2.09329 2.08518 2.93449 2.09695 2.08999 2.08995 2.08990 2.08348 2.08617 2.08727 2.08544 2.88022 2.09398 2.08439 2.88762 2.08613 2.09708 1.89717 1.97345 2.08953 1.85404 1.82116 1.84821 1.86190 1.90063 1.94007 1.89519 1.94257 1.90594 1.87857 1.95803 1.94840 1.85140 1.98884 1.84791 1.85778 1.88774 1.73448 1.98522 2.01564 1.93155 1.90363 1.86783 1.91919 1.94852 1.86763 1.93622 1.92206 1.97508 1.91975 1.90987 1.90797 1.89232 1.85478 1.94296 1.90153 1.93330 1.90377 1.91706 1.86322 2.02165 1.98956 1.79613 1.82442 1.90126 1.93145 1.80959 1.95992 1.93185 1.95550 1.94061 1.86787 1.90792 1.99120 1.84010 1.95997 1.86278 1.89354 1.94189 1.94025 1.89109 1.90643 1.89419 1.88862 1.85372 1.91625 1.93419 1.94202 1.95912 1.85951 1.99259 1.89671 1.91611 1.89997 1.88962 1.86460 2.14128 2.14411 1.99697 1.96098 1.91378 1.96136 1.88771 1.86706 1.86908 1.95923 1.93009 1.95068 1.88517 1.86298 1.87164 1.94715 1.90612 1.93387 1.91300 1.90555 1.85587 1.96993 1.93714 1.91012 1.89635 1.87843 1.86823 2.13342 2.12904 2.02072 1.26536 -0.85300 -2.94544 1.03063 -3.10631 -1.04298 -3.09550 -0.94926 1.11407 -0.98909 1.15715 -3.06270 -1.06249 3.11101 1.09082 2.92221 0.81253 -1.20767 0.96070 -1.14898 3.11401 -2.82884 1.33989 -0.74646 -0.59979 -2.71425 1.48259 1.35187 -0.76259 -2.84894 3.10300 -0.92343 1.09321 0.95825 -3.06818 -1.05154 -1.11332 1.14344 -3.12311 -2.99460 1.15956 -0.91362 -0.87266 -3.00168 1.20832 1.21524 -0.91377 -2.98696 -1.02837 -3.05100 1.09338 3.01927 0.99664 -1.14216 0.98354 -1.03909 3.10529 0.90459 -1.23496 3.01683 -3.13814 1.00550 -1.02589 -1.10814 3.03550 1.00410 0.98096 -1.11923 3.11945 2.90543 0.80524 -1.23926 -1.20448 2.97852 0.93401 -2.91309 -0.70853 1.35646 1.35626 -2.72236 -0.65737 -0.83146 1.37311 -2.84509 1.01749 3.11728 -1.08932 -3.13645 -1.03666 1.03992 -0.90068 1.19911 -3.00750 1.03601 -3.03650 -0.96072 3.09267 -0.97985 1.09594 -1.09348 1.11719 -3.09020 2.96993 0.84564 -1.18794 0.94717 -1.17711 3.07249 -1.15891 3.00000 0.96641 -1.06654 1.04014 3.12396 1.01514 3.12183 -1.07754 3.07949 -1.09701 0.98680 -0.94069 1.15818 -3.08850 1.20539 -2.97892 -0.94242 -3.06283 -0.96396 1.07254 2.58337 0.48190 -1.56756 0.35894 -1.74253 2.49120 -1.68536 2.49635 0.44689 0.14373 2.22844 -1.97261 2.26116 -1.93732 0.14482 -1.93265 0.15207 2.23421 2.06362 -1.03554 -0.16470 3.01932 -2.23753 0.94648 0.92842 -1.18902 3.05551 3.11175 0.99431 -1.04435 -1.11678 3.04896 1.01030 -2.15867 0.94042 -0.01015 3.08894 2.04538 -1.13872 -0.88266 -3.01632 1.20871 1.23983 -0.89383 -2.95199 -3.02249 1.12704 -0.93112 2.32316 -0.82006 -1.84659 1.29338 0.17980 -2.96341 -2.34360 0.79962 -0.18722 2.95600 1.83007 -1.30990 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000058 0.000011 0.004876 0.000756 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -3.211598e-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 1 1 2 3 4 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 16 18 18 18 19 19 19 20 20 20 21 21 21 11 50 17 22 5 7 12 23 6 14 24 8 9 25 10 11 18 13 16 19 10 26 27 28 29 15 30 15 31 32 17 20 33 17 34 35 36 37 21 38 39 40 41 42 43 44 45 22 46 47 22 48 49 1.4665 0.991 1.2604 1.2605 1.5414 1.5586 1.5519 1.1162 1.5655 1.558 1.1089 1.5788 1.5575 1.1165 1.5445 1.5633 1.551 1.5838 1.5592 1.5522 1.5542 1.1072 1.106 1.1105 1.107 1.5676 1.1058 1.5661 1.1039 1.1066 1.5305 1.5457 1.1128 1.5224 1.1033 1.111 1.1078 1.1034 1.5528 1.1097 1.106 1.106 1.1059 1.1025 1.104 1.1046 1.1036 1.5242 1.1081 1.103 1.5281 1.104 1.1097 -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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 A96 A97 A98 A99 A100 A101 A102 A103 A104 A105 A106 A107 A108 A109 11 5 5 5 7 7 12 4 4 4 6 6 14 5 5 5 8 8 9 4 4 4 10 10 11 6 6 6 13 13 16 6 6 6 10 10 26 7 7 7 9 9 28 1 1 1 7 7 15 4 4 4 15 15 31 8 8 8 17 17 20 5 5 5 17 17 34 11 11 11 12 12 36 8 8 8 21 21 38 2 2 13 7 7 7 40 40 41 8 8 8 43 43 44 13 13 13 22 22 46 16 16 16 22 22 48 3 3 20 1 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 20 20 20 21 21 21 21 21 21 22 22 22 50 7 12 23 12 23 23 6 14 24 14 24 24 8 9 25 9 25 25 10 11 18 11 18 18 13 16 19 16 19 19 10 26 27 26 27 27 9 28 29 28 29 29 7 15 30 15 30 30 15 31 32 31 32 32 17 20 33 20 33 33 17 34 35 34 35 35 12 36 37 36 37 37 21 38 39 38 39 39 13 14 14 40 41 42 41 42 42 43 44 45 44 45 45 22 46 47 46 47 47 22 48 49 48 49 49 20 21 21 108.7039 113.0764 119.72 106.2312 104.332 105.8993 106.6809 108.9017 111.1537 108.5932 111.2987 109.2044 107.6284 112.1864 111.6318 106.0812 113.9477 105.8841 106.4416 108.1654 99.3697 113.7437 115.4856 110.6835 109.0592 107.0246 109.9637 111.6438 106.9968 110.9442 110.1195 113.1676 109.995 109.4216 109.3179 108.4244 106.2702 111.3403 108.9422 110.7688 109.0687 109.8433 106.7499 115.8251 113.9905 102.922 104.5214 108.9373 110.6706 103.6788 112.2861 110.6927 112.0382 111.1966 107.0239 109.3112 114.0822 105.4288 112.2966 106.7366 108.4976 111.2445 111.1629 108.351 109.2371 108.5422 108.2141 106.2061 109.7843 110.8274 111.2761 112.2507 106.5402 114.1689 108.6714 109.7825 108.8646 108.2658 106.834 122.6872 122.8531 114.4113 112.3495 109.6589 112.3833 108.1571 106.961 107.0987 112.2572 110.5836 111.7669 108.0116 106.7403 107.2383 111.5839 109.21 110.8049 109.6034 109.1737 106.322 112.8845 110.9909 109.4467 108.6479 107.6182 107.0309 122.2314 121.982 115.7865 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 50 50 50 7 7 7 12 12 12 23 23 23 5 5 5 12 12 12 23 23 23 5 5 5 7 7 7 23 23 23 4 4 4 14 14 14 24 24 24 4 4 4 6 6 6 24 24 24 5 5 5 9 9 9 25 25 25 5 5 5 8 8 8 25 25 25 4 4 4 11 11 11 18 18 18 4 4 4 10 10 10 18 18 18 4 4 4 10 10 10 11 11 11 6 6 6 16 16 16 19 19 19 6 6 6 13 13 13 19 19 19 6 6 6 13 13 13 16 16 16 6 6 6 26 26 26 27 27 27 1 1 1 7 7 7 30 30 30 4 4 4 31 31 31 32 32 32 8 8 20 20 33 33 8 8 8 17 17 17 33 33 33 5 5 34 34 35 35 8 8 8 38 38 38 39 39 39 13 13 46 46 47 47 16 16 48 48 49 1 1 1 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 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 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 16 16 16 16 16 16 16 16 16 20 20 20 20 20 20 21 21 21 21 21 11 11 11 5 5 5 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 12 12 12 6 6 6 6 6 6 6 6 6 14 14 14 14 14 14 14 14 14 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 11 11 11 18 18 18 18 18 18 18 18 18 13 13 13 13 13 13 13 13 13 16 16 16 16 16 16 16 16 16 19 19 19 19 19 19 19 19 19 10 10 10 10 10 10 10 10 10 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 15 17 17 17 17 17 17 20 20 20 20 20 20 20 20 20 17 17 17 17 17 17 21 21 21 21 21 21 21 21 21 22 22 22 22 22 22 22 22 22 22 22 7 15 30 6 14 24 6 14 24 6 14 24 10 11 18 10 11 18 10 11 18 15 31 32 15 31 32 15 31 32 8 9 25 8 9 25 8 9 25 17 34 35 17 34 35 17 34 35 13 16 19 13 16 19 13 16 19 10 26 27 10 26 27 10 26 27 9 28 29 9 28 29 9 28 29 1 15 30 1 15 30 1 15 30 40 41 42 40 41 42 40 41 42 17 20 33 17 20 33 17 20 33 21 38 39 21 38 39 21 38 39 43 44 45 43 44 45 43 44 45 7 28 29 7 28 29 7 28 29 12 36 37 12 36 37 12 36 37 11 36 37 11 36 37 11 36 37 2 14 2 14 2 14 22 46 47 22 46 47 22 46 47 2 13 2 13 2 13 22 48 49 22 48 49 22 48 49 3 21 3 21 3 21 3 20 3 20 3 72.4372 -48.9137 -168.8156 59.0544 -177.9779 -59.7633 -177.37 -54.4023 63.8123 -56.6779 66.2899 -175.4955 -60.8514 178.2768 62.5457 167.4629 46.5911 -69.14 55.0784 -65.7934 178.4754 -162.0901 76.7719 -42.7682 -34.3796 -155.5176 84.9423 77.4425 -43.6955 -163.2356 177.7897 -52.9164 62.6277 54.9089 -175.7972 -60.2531 -63.7761 65.5178 -178.9381 -171.6155 66.4081 -52.3783 -50.0369 -172.0133 69.2004 69.5888 -52.3876 -171.1739 -58.901 -174.7811 62.6798 173.0203 57.1402 -65.3988 56.3808 -59.4993 177.9617 51.8187 -70.771 172.8427 -179.8194 57.5909 -58.7954 -63.5044 173.906 57.5197 56.168 -64.158 178.711 166.424 46.0981 -71.0329 -69.0605 170.6135 53.4825 -166.9363 -40.6403 77.6786 77.6793 -156.0248 -37.7059 -47.6767 78.6192 -163.0618 58.3369 178.6461 -62.3558 -179.649 -59.3399 59.6582 -51.5489 68.7602 -172.2416 59.3482 -173.999 -55.0614 177.1865 -56.1607 62.7769 -62.6724 63.9803 -177.0821 170.1898 48.472 -68.0412 54.2922 -67.4256 176.0612 -66.3752 171.907 55.3939 -61.1326 59.5701 178.9644 58.1524 178.855 -61.7507 176.4176 -62.8798 56.5145 -53.8685 66.3829 -176.9427 69.0968 -170.6518 -53.9774 -175.4547 -55.2033 61.4711 148.0326 27.6262 -89.7955 20.6004 -99.8059 142.7724 -96.5308 143.0628 25.6411 8.2236 127.6592 -113.0393 129.5282 -111.0362 8.2653 -110.7525 8.6831 127.9846 118.1774 -59.3574 -9.4848 172.9805 -128.2604 54.2048 53.176 -68.1511 175.0566 178.2598 56.9326 -59.8596 -64.0051 174.6677 57.8755 -123.599 53.9311 -0.5117 177.0184 117.2779 -65.1919 -50.5575 -172.8126 69.2731 71.0538 -51.2013 -169.1156 -173.1575 64.5874 -53.3269 133.1889 -46.9196 -105.7127 74.1788 10.3714 -169.7371 -134.3626 45.7456 -10.8025 169.3057 104.7601 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 276.20149999999984 AuxInfo=1/0/N:19,18,12,15,21,9,16,10,20,14,22,5,4,6,13,17,11,8,7,3,2,1/CRV:11.3,16.3,20.1,21.1/rA:50OO1O1CCCCCCCCCCCCCC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s4;s6;s6;s7s9;s1s7;s4;s8;s5;s11s12;s8;s2s13s14;s7;s8;s13;s16;s3s20s21;s4;s5;s6;s9;s9;s10;s10;s11;s12;s12;s13;s14;s14;s15;s15;s16;s16;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.341486 0.000000 10.993464 5.095202 0.000000 3.696297 4.822563 7.768955 0.000000 4.969502 3.506372 6.445156 1.534163 0.000000 5.468399 4.078659 5.529551 2.494338 1.558752 0.000000 2.511046 6.021612 8.510349 1.562287 2.546085 2.984553 0.000000 6.909668 3.500630 4.169619 3.897839 2.570706 1.564704 4.420593 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4.048592 3.490104 5.272534 4.102957 5.173295 3.899460 3.851468 2.460065 1.767600 0.000000 3.663227 6.762425 7.970856 2.771223 3.454485 2.908496 2.184930 4.348482 2.183014 1.105723 2.789159 4.037105 5.309457 4.671776 3.981792 4.671272 5.606540 3.481208 5.159775 6.709184 6.199489 6.948252 2.442811 4.080741 2.726045 3.086284 2.463288 0.000000 3.212984 7.358150 8.608901 3.479131 3.998558 3.527995 2.182648 4.754607 2.180444 1.106632 2.958831 4.603089 6.027082 5.476015 4.380916 5.079201 6.297687 2.728589 5.076367 7.312598 6.537451 7.507333 3.681009 4.165098 3.850258 2.461749 2.516031 1.761313 0.000000 1.972633 7.686242 9.995017 2.883940 4.310195 4.620169 2.233342 6.179077 4.168294 2.728431 1.110967 3.164922 6.890927 5.347144 2.224424 6.871621 6.678534 3.472698 6.792144 8.399207 8.383510 8.942716 2.701498 4.808240 4.516473 4.767729 4.785445 2.456987 3.044031 0.000000 4.555127 5.153704 8.997024 2.201007 3.107089 4.401184 3.405692 5.576372 5.098727 4.593397 3.337879 1.100813 5.499578 3.044384 2.203894 6.846181 4.535474 4.154950 6.100779 6.916340 8.059646 8.001394 2.398510 3.607574 4.406862 5.553889 6.042405 4.654513 5.493670 3.778451 0.000000 4.052317 5.047894 9.119782 2.198419 2.834223 4.296975 2.903761 5.357296 4.741698 4.331481 3.153387 1.102731 5.569546 3.226653 2.199818 6.748281 4.547063 2.970239 5.438409 6.909348 7.926301 8.017259 3.072990 2.750621 4.729412 4.844548 5.820156 4.798030 5.064939 4.025656 1.764110 0.000000 7.893142 3.094518 3.635306 4.405669 3.291336 2.698908 5.450381 2.185661 4.119369 5.140832 6.624252 5.518488 1.122181 2.773915 6.746049 2.715079 2.142531 6.161812 3.506527 2.154232 3.288448 2.805279 4.183647 4.001410 2.386942 4.692151 4.287500 5.112546 6.121812 6.720386 5.451019 5.853953 0.000000 6.249542 2.535464 6.955132 2.839628 2.181449 3.517598 4.231232 3.982489 4.735782 5.059087 5.047067 2.848710 3.498900 1.110089 4.393066 5.450188 2.157489 4.558983 4.313023 4.674735 6.314257 5.980154 3.299781 2.452622 3.813910 4.977545 5.640881 5.370182 6.060079 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5.233788 3.561097 6.904894 2.166976 1.108939 2.196087 2.814676 2.874735 2.865030 3.405016 4.149811 2.961388 3.447048 2.168754 4.161553 4.321349 2.839826 2.784306 2.796117 4.750269 5.447386 5.702064 3.061053 0.000000 5.708252 4.479238 5.442665 2.734153 2.160065 1.116515 3.384065 2.168903 2.157922 2.828100 4.486295 4.190563 2.675687 2.769435 5.048657 2.746662 3.224933 4.440715 3.516823 4.099631 4.137937 4.458317 2.405852 3.083828 0.000000 5.004833 5.621607 6.905336 3.428089 2.918742 2.197914 2.872622 2.862797 1.107196 2.186342 4.378729 4.748396 4.329838 4.353273 5.276840 3.404513 4.689066 2.844909 2.833208 5.457652 4.755389 5.707556 3.951905 2.763134 3.084939 0.000000 5.475851 6.150768 6.276187 3.912771 3.532640 2.189594 3.501513 2.862692 1.105961 2.173789 4.773948 5.433594 4.249112 4.756060 5.869802 2.696268 5.031887 4.118972 3.564411 5.340512 4.183241 5.233529 3.938446 3.885428 2.461322 1.770642 0.000000 3.584063 6.765889 7.886927 2.767090 3.428117 2.889199 2.175402 4.343056 2.185557 1.110506 2.771900 4.062035 5.270209 4.636092 4.025137 4.662745 5.569277 3.497505 5.229952 6.689406 6.208982 6.903358 2.426670 4.083517 2.669355 3.093708 2.466385 0.000000 3.187094 7.426595 8.670649 3.492872 4.027742 3.546511 2.196280 4.817198 2.192993 1.107008 2.987305 4.636433 6.075508 5.512541 4.414109 5.129479 6.343475 2.750284 5.225991 7.405693 6.641181 7.583109 3.680383 4.234206 3.833372 2.483790 2.517532 1.779682 0.000000 2.024502 7.565723 9.779234 2.739839 4.176671 4.511930 2.188273 6.090729 4.138326 2.724258 1.105753 3.069499 6.723397 5.161382 2.214430 6.785204 6.507711 3.474852 6.819158 8.257156 8.309964 8.783334 2.461711 4.738618 4.339383 4.770999 4.756261 2.410742 3.125355 0.000000 4.644770 5.194855 9.009456 2.219563 3.112615 4.445172 3.418147 5.622713 5.142740 4.631264 3.334592 1.103933 5.524431 3.046102 2.229070 6.903483 4.543723 4.146764 6.166663 6.956961 8.123347 8.032550 2.419860 3.568763 4.453679 5.578396 6.091068 4.682402 5.531308 3.642506 0.000000 4.241848 5.128961 9.230612 2.201509 2.856130 4.322376 2.915367 5.413180 4.754123 4.345016 3.195118 1.106607 5.636470 3.290669 2.220467 6.804902 4.613401 2.946126 5.520733 7.020881 8.022452 8.116755 3.075261 2.729622 4.753754 4.837043 5.833645 4.807314 5.080730 3.970053 1.777233 0.000000 7.839456 3.173308 3.634435 4.363868 3.249016 2.657111 5.407489 2.164386 4.088806 5.073679 6.518745 5.493556 1.112828 2.735013 6.714460 2.714034 2.135797 6.229745 3.505171 2.172292 3.293376 2.803556 4.120035 3.973798 2.307587 4.701681 4.254395 4.971656 6.061398 6.424046 5.422531 5.854156 0.000000 6.432001 2.569712 6.988849 2.872996 2.210340 3.540299 4.303389 4.011074 4.784149 5.104516 5.087735 2.892642 3.502751 1.103270 4.454826 5.480081 2.154464 4.712968 4.369907 4.706584 6.354949 6.007753 3.288243 2.470231 3.807267 5.046133 5.677211 5.356249 6.122054 5.455161 2.639471 2.794373 3.752869 0.000000 6.387347 3.131052 6.126260 2.720146 2.179802 2.877462 4.203414 3.491635 4.267865 4.584708 4.941098 3.315051 2.847991 1.110999 4.654432 4.658166 2.151223 5.115743 4.461118 4.214879 5.620794 5.258901 2.507805 3.076556 2.614206 4.888734 4.933322 4.495718 5.687977 4.948519 2.971744 3.766579 2.561129 1.793815 0.000000 2.617704 7.422712 11.050390 3.270123 4.572556 5.687490 3.060066 7.071832 5.582849 4.532656 2.204530 2.222346 7.543540 5.327190 1.107761 8.234166 6.751751 3.163231 7.288123 9.026154 9.635168 9.939110 3.809322 4.590597 5.951763 5.732477 6.558766 4.860750 4.909002 3.053361 2.923396 2.373324 7.582747 5.016893 5.516271 0.000000 3.063137 7.453322 10.746012 3.169979 4.642310 5.633126 3.372027 7.101042 5.730283 4.598517 2.214676 2.231339 7.364547 5.140527 1.103414 8.152829 6.656749 4.180602 7.673168 8.886765 9.568746 9.748718 3.166175 5.057838 5.557881 6.197891 6.584311 4.514130 5.154365 2.394512 2.402661 3.014630 7.149706 4.948110 4.962544 1.772178 0.000000 7.694671 5.230950 3.730839 5.058395 4.153239 2.694164 5.430978 2.184130 3.226993 4.431267 6.657932 6.538102 2.798045 4.546215 7.394887 1.109665 4.175595 6.220603 3.501168 3.412875 2.181020 2.898938 4.801230 4.746703 2.406609 3.865720 2.717691 4.314229 5.100718 6.470218 6.807332 6.969239 2.518622 5.639904 4.492126 8.246936 7.938093 0.000000 7.535987 5.639000 4.509881 5.312935 4.335321 2.871226 5.308940 2.195847 2.778040 4.234280 6.719317 6.806637 3.502230 5.115532 7.586062 1.105982 4.717826 5.699051 2.751911 4.002649 2.170474 3.498502 5.380871 4.548155 3.208675 2.933876 2.174959 4.505135 4.634597 6.750278 7.315915 7.042150 3.739495 6.112070 5.401750 8.266598 8.320033 1.779153 0.000000 3.097538 6.430138 9.824701 2.881830 3.532468 4.467331 2.221119 5.611082 4.116008 3.525083 2.740500 2.744537 6.424695 4.714080 2.757917 6.776625 5.798954 1.105999 5.418958 7.783654 8.101779 8.610910 3.882769 3.057169 5.151939 3.837852 5.155996 4.363130 3.784806 3.810295 3.819245 2.348548 6.761752 4.601048 5.309897 2.501150 3.852775 7.077274 6.636148 0.000000 2.687922 7.363871 9.877332 3.549120 4.153455 4.484042 2.186942 5.649646 3.530957 2.780588 2.841652 4.003011 6.800795 5.619437 3.701396 6.471990 6.564247 1.105918 5.493724 8.130180 7.869329 8.666559 4.327965 3.803207 5.154254 3.157015 4.350798 3.744410 2.524895 3.729148 5.101008 3.943235 7.083604 5.813847 6.125808 3.624725 4.715578 6.749678 6.062305 1.791259 0.000000 4.012282 5.728578 8.490191 2.911455 2.879379 3.344263 2.218881 4.251950 2.810896 2.823307 3.516322 3.572323 5.339234 4.297064 3.997454 5.303993 5.027679 1.102514 3.889691 6.585508 6.577012 7.248221 3.889105 2.232003 4.255246 2.226978 3.810247 3.869402 3.089618 4.359781 4.586014 3.291243 5.806121 4.511683 5.018892 4.093101 5.075921 5.760179 5.049799 1.774882 1.776395 0.000000 7.189160 3.033435 5.626962 4.242025 2.813695 2.875047 4.734081 2.219507 3.599547 4.799893 6.213088 5.136689 2.840907 3.231084 6.363245 3.529437 2.701179 4.492868 1.103953 3.520683 4.130594 4.395105 4.923074 2.205300 3.859343 3.185641 4.237442 5.496749 5.478600 6.729985 5.605858 4.808096 3.824508 3.686194 4.198003 6.749013 7.254450 4.370116 3.795865 4.889781 5.289405 3.551285 0.000000 7.013341 4.628968 5.679851 4.695271 3.504051 2.837355 4.687247 2.198869 2.843859 4.255490 6.250532 5.885330 3.549518 4.408442 6.816452 2.822694 4.032087 4.429825 1.104559 4.164729 3.575398 4.445528 5.277302 3.060932 3.841394 2.188257 3.156510 5.016687 4.668282 6.691483 6.536753 5.719765 4.341296 5.079348 5.176824 7.224184 7.751488 3.784790 2.569849 5.148926 4.918010 3.450781 1.786855 0.000000 8.473482 3.749041 4.419073 5.596036 4.135959 3.561225 5.997179 2.213086 4.178807 5.651285 7.529007 6.697509 2.862172 4.432985 7.878999 2.788776 3.470783 5.883448 1.103573 2.849466 2.796929 3.234091 6.068079 3.807093 4.361370 3.814119 4.385393 6.235853 6.235586 7.901329 7.117827 6.497993 3.861390 5.092870 5.193168 8.351942 8.732291 3.835401 3.054945 6.454919 6.528026 4.915203 1.771555 1.777750 0.000000 9.679298 2.677512 3.070010 6.240783 4.725120 4.354817 7.112540 2.931772 5.529952 6.892494 8.495538 7.193663 2.178078 4.235039 8.585581 3.478851 2.772691 7.315418 2.877832 1.108100 2.959175 2.164303 6.477385 4.728069 4.741684 5.536968 5.725996 7.207214 7.706198 8.719601 7.266361 7.087485 3.087124 4.855040 4.759732 9.192082 9.251947 4.146792 4.311427 7.746685 8.147848 6.496157 3.100653 3.901094 2.307097 0.000000 10.054463 2.848351 2.565890 6.434078 5.075631 4.730698 7.533102 3.577746 6.116037 7.313589 8.740531 7.335204 2.194742 4.204756 8.743411 3.973594 2.818316 8.048654 4.171359 1.103046 3.508317 2.155012 6.399985 5.415925 4.717009 6.419141 6.257964 7.375337 8.246868 8.783236 7.171315 7.421962 2.503207 4.866063 4.335668 9.488272 9.224153 4.193413 5.023858 8.456915 8.947757 7.405781 4.375753 5.215392 3.876470 1.769635 0.000000 9.909424 6.104467 2.556561 7.267193 6.105617 4.757544 7.596396 3.561775 5.178521 6.588586 8.952861 8.699293 3.939707 6.325776 9.668344 2.204102 5.436137 8.089439 4.167236 3.503024 1.103952 2.152340 7.166238 6.414518 4.769123 5.418695 4.572145 6.641706 7.088055 8.864590 8.975658 8.948901 4.046546 7.340969 6.455566 10.435156 10.292275 2.476121 2.550079 8.942064 8.556743 7.397821 5.189194 4.437966 3.817945 3.950854 4.282488 0.000000 9.608114 5.185889 3.040879 6.856144 5.509186 4.398537 7.186273 2.936335 4.868044 6.408834 8.672790 8.180671 3.468242 5.763055 9.258477 2.188644 4.729786 7.373128 2.887297 2.939894 1.109740 2.143154 7.023898 5.528956 4.799896 4.786927 4.550129 6.737024 6.913439 8.804373 8.536155 8.215610 4.054406 6.647268 6.190006 9.888162 10.011120 3.091764 2.456272 8.132609 7.887426 6.515628 3.868485 3.203588 2.240943 2.889541 3.929038 1.779849 0.000000 0.990984 8.589242 11.437798 4.023518 5.259987 5.862903 2.853379 7.292500 5.134906 3.835150 2.016131 3.829752 8.182270 6.478352 2.651338 8.157597 7.757498 2.702933 7.439629 9.655175 9.647080 10.288402 4.512583 5.210430 6.197281 5.162434 5.922261 4.295546 3.661530 2.855648 4.774209 4.044104 8.234848 6.485991 6.707679 2.322813 3.324083 8.186381 7.888159 2.602215 2.378076 3.784116 7.144517 7.046033 8.526435 9.819924 10.317762 10.307699 9.842635 0.000000 0.6470931 0.1573483 0.1388116 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= 263 264 265 266 266 MxSgAt= 50 MxSgA2= 50. 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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 50 50 50 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= 17766 NPrTT= 88956 LenC2= 15907 LenP2D= 50973. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 276 RedAO= T EigKep= 7.99D-04 NBF= 276 NBsUse= 276 1.00D-06 EigRej= -1.00D+00 NBFU= 276 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= 266 266 266 266 266 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 0 1 -964.686107588650 -964.872771617535 -0.186664028885 -965.096341902927 -0.223570285392 -964.185084967967 0.911256934960 -965.102218455953 -0.917133487985 -965.203632075797 -0.101413619844 -965.204027796928 -0.000395721132 -965.204139451934 -0.000111655005 -965.204145159853 -0.000005707919 -965.203836060907 0.000309098946 -965.203837345433 -0.000001284526 -965.203836946321 0.000000399112 -965.203837625708 -0.000000679387 -965.203837652352 -0.000000026645 -965.203837653315 -0.000000000963 -965.203837653431 -0.000000000116 -965.203837653515 -0.000000000083 -965.203837653493 0.000000000022 -965.203837653 18 9.612353999176e+02 -6.235906017868e+03 2.315357483640e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=741509969. IVT= 250490 IEndB= 250490 NGot= 939524096 MDV= 208640956 LenX= 208640956 LenY= 208564339 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= 38226 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. 1.41832300e+00 5.72367385e-01 2.74872271e-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 8 8 8 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 0.023209428 0.022715575 0.000195198 -0.034779554 -0.055629449 0.042516104 -0.071373777 -0.002916418 -0.031439680 0.001704997 0.003074617 0.005873070 0.002258168 0.002427572 -0.005887951 -0.000688580 0.000353306 0.004149082 -0.000602206 -0.001391736 -0.017714533 0.002881158 0.004349784 -0.011028363 -0.002032376 0.007720444 0.000075322 0.004780020 0.006172095 0.001764975 -0.006957102 -0.002226899 -0.003063804 -0.003414965 -0.007820330 -0.000796593 -0.002629108 -0.000554156 -0.001944998 0.008640246 -0.009996508 0.002838763 0.002623167 -0.007177247 -0.005760588 0.007654799 0.005700734 0.001332332 0.030153963 0.043673730 -0.042174169 -0.001901777 -0.001765474 0.000896850 -0.001972719 -0.001535260 0.004492061 -0.004177134 -0.014327567 0.002775584 -0.003918612 0.014149392 0.001154777 0.051169069 0.001576878 0.025911016 0.000795966 0.001926785 0.004651580 0.000950697 -0.001312521 -0.007379798 -0.000440045 -0.001343249 0.002534954 0.000294463 0.000649859 -0.002176619 0.000855648 -0.000514527 -0.000068663 -0.000509010 -0.002680163 -0.002526815 -0.000043768 0.001328363 0.001143387 -0.006535872 -0.003924434 0.002034975 -0.000961647 -0.002377709 -0.001059467 -0.001025690 0.000288024 0.003101717 0.003024781 0.001277763 0.005635579 -0.003762775 0.001629829 0.000666441 -0.001268355 0.004635367 -0.002826233 0.002171849 0.001179661 0.002296524 0.000802941 -0.000329362 -0.001600238 0.000429802 -0.002116363 -0.001147919 -0.001140109 -0.001074473 0.000552284 0.003312641 -0.006313691 0.003517766 0.002505822 0.005037523 0.000919370 -0.001506389 0.000357556 0.002966091 0.001286291 -0.004028746 0.002419667 0.001349359 0.004563147 0.001258208 -0.004019078 0.000042693 0.002211147 0.002014778 0.002353338 -0.001598352 0.000190593 0.006048145 0.000465924 -0.000687318 -0.004482557 0.000795757 0.001140200 -0.002128400 0.000138777 0.000147120 -0.005264942 0.008909500 0.071373777 0.012520020 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -965.220567151943 -965.220616454061 -0.000049302117 -965.220616218664 0.000000235397 -965.220616691863 -0.000000473200 -965.220616827835 -0.000000135972 -965.220616835670 -0.000000007834 -965.220616836009 -0.000000000340 -965.220616836069 -0.000000000060 -965.220616836083 -0.000000000014 -965.220616836 9 9.602775211131e+02 -6.188671979439e+03 2.292304513898e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=741509969. IVT= 250490 IEndB= 250490 NGot= 939524096 MDV= 208640956 LenX= 208640956 LenY= 208564339 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= 38226 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 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 -18.762582 -18.761284 -18.753706 -9.992797 -9.988054 -9.950732 -9.936917 -9.925117 -9.919950 -9.918226 -9.914640 -9.912674 -9.911247 -9.910145 -9.909505 -9.904503 -9.903499 -9.903098 -9.902861 -9.898599 -9.897080 -9.894774 -0.957332 -0.948122 -0.929823 -0.802382 -0.780985 -0.737098 -0.722017 -0.700364 -0.689918 -0.667739 -0.650656 -0.629931 -0.620003 -0.617263 -0.585288 -0.553703 -0.545874 -0.524778 -0.510085 -0.496599 -0.473821 -0.470932 -0.452711 -0.439419 -0.431141 -0.430386 -0.424561 -0.416086 -0.405720 -0.403010 -0.395564 -0.384731 -0.378939 -0.377016 -0.371680 -0.369851 -0.362332 -0.359116 -0.356684 -0.350105 -0.345036 -0.343765 -0.335007 -0.328730 -0.321566 -0.317632 -0.316848 -0.313588 -0.307222 -0.300862 -0.296954 -0.292836 -0.288360 -0.284094 -0.280704 -0.273336 -0.264855 -0.256796 -0.217114 -0.204878 -0.194297 -0.076000 -0.061842 0.031913 0.054535 0.062285 0.065937 0.070423 0.072813 0.079187 0.087006 0.090939 0.097651 0.100033 0.108406 0.114664 0.115580 0.117359 0.122287 0.122549 0.129112 0.133045 0.137122 0.138249 0.139784 0.143708 0.147635 0.150887 0.155251 0.163782 0.168475 0.169973 0.177063 0.179091 0.183268 0.190159 0.192370 0.199286 0.201828 0.204358 0.206285 0.211708 0.216585 0.218774 0.230833 0.234737 0.237580 0.241650 0.248690 0.254973 0.257733 0.266664 0.268564 0.278372 0.281192 0.290990 0.297062 0.303303 0.306062 0.313945 0.317652 0.326031 0.328263 0.335216 0.353290 0.354479 0.360224 0.361294 0.363914 0.373584 0.377500 0.387028 0.392864 0.395076 0.402625 0.412844 0.420129 0.426186 0.428651 0.434576 0.441867 0.449165 0.453352 0.460792 0.468328 0.480897 0.486681 0.495804 0.499691 0.506436 0.509366 0.520645 0.524103 0.536904 0.542332 0.553546 0.566860 0.572098 0.577862 0.582112 0.590708 0.602139 0.612925 0.634592 0.653418 0.657456 0.671655 0.684592 0.712807 0.731299 0.752823 0.775623 0.786074 0.796436 0.816195 0.832326 0.854176 0.861483 0.863733 0.885107 0.891581 0.896864 0.902912 0.912377 0.921045 0.933402 0.956481 0.959147 0.965204 0.976890 0.992908 1.002416 1.010484 1.014842 1.035271 1.041795 1.046985 1.068636 1.079387 1.084277 1.088417 1.099619 1.116967 1.118619 1.129869 1.133073 1.141716 1.159832 1.162053 1.176294 1.185672 1.200947 1.219326 1.230930 1.243160 1.260656 1.281707 1.306929 1.310946 1.340441 1.353275 1.384375 1.400134 1.439327 1.456926 1.491127 1.532013 1.603030 1.645000 1.664489 1.708692 1.792136 22.385735 22.482674 22.518933 22.558101 22.592724 22.603287 22.611882 22.629106 22.633694 22.642587 22.660046 22.667281 22.673742 22.692327 22.694525 22.710655 22.738535 22.753529 22.757749 41.537754 41.544010 41.553049 29.116677 29.117801 29.117055 15.954977 15.956569 15.959363 15.959504 15.955646 15.957116 15.957844 15.957816 15.956847 15.954453 15.956381 15.955323 15.954599 15.957416 15.956918 15.957292 15.956931 15.955278 15.955823 2.631995 2.639730 2.517278 1.312218 1.363514 1.406841 1.389502 1.441490 1.489098 1.463006 1.498657 1.354701 1.454082 1.502033 1.400160 1.432180 1.446757 1.458888 1.375587 1.088722 1.191802 1.622664 1.173228 1.003363 1.089738 1.169675 1.130047 1.324964 1.072887 1.331966 1.293047 1.406036 1.225339 1.354290 1.579262 1.227024 1.488754 1.418300 1.231135 1.267782 1.194848 1.197828 1.322798 1.466755 1.415748 1.347824 1.512568 1.436186 1.376793 1.442464 1.525290 1.403845 1.355369 1.393360 1.215328 1.692264 1.670782 1.578103 2.185776 2.324376 2.285085 2.034707 2.084474 1.346719 1.138782 1.278821 1.170499 1.093615 1.141697 1.097848 1.088487 1.157755 1.112931 1.250487 1.250570 1.371512 1.188751 1.161266 1.239742 1.141269 1.215649 1.346409 1.426903 1.387401 1.290381 1.213955 1.567817 1.233090 1.267467 1.300336 1.405177 1.217196 1.445350 1.308840 1.317272 1.447895 1.524550 1.555465 1.366474 1.294417 1.551797 1.370207 1.476869 1.470325 1.488985 1.725380 1.464896 1.572597 1.565292 1.570579 1.581471 1.587883 1.914409 1.470885 1.622452 1.671451 1.528447 1.567546 1.878407 1.690420 1.551820 1.932840 1.723535 1.908068 2.049851 1.690819 2.179417 1.982208 1.929060 1.850639 2.192371 2.281804 2.162074 1.959243 2.186302 2.494885 2.310146 1.875856 1.951119 2.315463 2.159834 2.024633 1.967368 2.258006 2.356134 2.267695 1.972485 2.326951 2.288097 2.597766 2.181080 2.555434 2.127493 2.001005 2.346686 1.976276 2.124481 2.039553 2.009282 2.007489 1.995050 2.121202 2.144284 2.131629 2.224894 2.168986 2.145925 2.215566 2.244635 1.867327 2.247567 2.381403 2.396797 2.180102 2.284733 2.525389 2.868441 2.691234 2.635169 2.785389 2.860096 2.660438 2.668398 2.800849 2.818590 2.937505 2.810075 3.028797 2.813223 3.027848 3.025748 3.013894 3.078509 3.004659 2.766589 2.848095 2.955236 2.863529 2.856835 2.955515 2.705990 2.815435 2.733790 2.797500 2.819634 2.710263 2.723668 2.775182 2.762645 2.759238 2.852320 2.796195 2.754555 2.695429 2.837585 2.834965 2.737196 2.835617 2.878542 2.968211 2.829539 2.824708 2.840244 3.102805 3.126533 3.074059 3.186132 3.411020 3.805616 4.642860 5.077400 4.927361 57.421153 57.416487 57.416139 57.411019 57.408485 57.413242 57.411323 57.403187 57.392114 57.396272 57.390921 57.384520 57.391947 57.393762 57.374852 57.391397 57.397255 57.396576 57.399853 105.844677 105.843866 105.844054 9.602775211131D+02 PT6214S 2018-01-25T15:57:28.000+01:00 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 O O O 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 -0.422905 -0.139696 -0.159236 -0.151772 -0.109235 -0.145887 0.435708 0.436609 -0.540888 -0.546327 -0.242078 -0.560283 -0.228161 -0.652051 -0.476726 -0.510578 0.107127 -0.895233 -0.870598 -0.613958 -0.574689 0.164064 0.221928 0.262230 0.224011 0.215880 0.224094 0.212503 0.222970 0.255488 0.220910 0.227392 0.254389 0.253505 0.240946 0.218041 0.228346 0.225119 0.227937 0.233647 0.237074 0.242868 0.240237 0.228316 0.239974 0.256952 0.262089 0.246000 0.237932 0.336013 0.00000 -9.95073 -9.93692 -9.92512 -9.91995 -9.91823 -9.91464 -9.91267 -9.91125 -9.91015 -9.90951 -9.90450 -9.90350 -9.90310 -9.90286 -9.89860 -9.89708 -9.89477 -0.95733 -0.94812 -0.92982 -0.80238 -0.78098 -0.73710 -0.72202 -0.70036 -0.68992 -0.66774 -0.65066 -0.62993 -0.62000 -0.61726 -0.58529 -0.55370 -0.54587 -0.52478 -0.51009 -0.49660 -0.47382 -0.47093 -0.45271 -0.43942 -0.43114 -0.43039 -0.42456 -0.41609 -0.40572 -0.40301 -0.39556 -0.38473 -0.37894 -0.37702 -0.37168 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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 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 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 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S|47 H 1S|2S|48 H 1S|2S|49 H 1S|2S|50 H 1S|2S 1.13236 0.85941 0.94794 0.90811 1.13119 1.21974 1.08520 0.38198 0.46611 0.29920 1.13254 0.85913 0.97822 0.86244 1.27766 1.10616 0.98114 0.38316 0.29337 0.30713 1.13255 0.85914 0.97903 0.85941 1.03146 1.35893 0.97270 0.24769 0.44204 0.31323 1.17433 0.81392 0.71573 0.62988 0.86713 0.85743 0.89073 0.02408 0.03936 0.12308 1.17432 0.81391 0.71874 0.60413 0.86517 0.84346 0.90668 0.05522 0.01883 0.14274 1.17436 0.81394 0.71598 0.63214 0.85240 0.85838 0.88861 -0.00439 0.04755 0.12927 1.17437 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-0.180962 -0.196178 -0.135683 -0.143203 -0.108241 0.423718 0.385130 -0.530816 -0.525661 -0.234642 -0.538439 -0.208032 -0.620905 -0.474848 -0.496821 0.123910 -0.863616 -0.842051 -0.593356 -0.553320 0.180094 0.215753 0.259128 0.196809 0.216983 0.220993 0.198751 0.226871 0.245469 0.218402 0.229141 0.245583 0.258128 0.229328 0.210635 0.228397 0.220988 0.226082 0.227842 0.234083 0.236180 0.242912 0.223551 0.230655 0.254368 0.260177 0.246698 0.230175 0.331076 0.00000 1.61511401e+00 5.60474266e-01 4.75196598e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.1052 1.4246 1.2078 4.5101 -171.7907 -141.9130 -131.3766 -15.6248 -0.6241 7.7047 -23.4306 6.4471 16.9835 -15.6248 -0.6241 7.7047 127.7671 22.5685 -13.5581 -4.3741 -46.3675 103.2266 10.4934 -2.1031 -16.8645 -4.7352 -9525.3561 -1856.9224 -665.0190 -176.7593 -83.3828 -82.0093 50.7631 -33.0616 2.1927 -1691.8521 -1433.7633 -407.0749 111.4484 45.6389 6.6190 0 -965.2206168 6.967E-9 2.575E-5 -17.4200928,4.7932752,12.6268176,-11.616624,-0.4640114,5.7282741 C01 [X(C19H28O3)] 1.615114 0.5604743 0.4751966 @ -0.000000214 0.000008702 0.000001739 -0.000009629 -0.000051166 -0.000006579 -0.000042355 -0.000003019 -0.000040771 -0.000010773 -0.000009616 0.000030863 -0.000037634 -0.000044253 -0.000051443 0.000031629 -0.000011622 0.000025440 0.000002640 0.000047171 0.000002719 -0.000045119 -0.000053747 -0.000060776 0.000001240 -0.000015342 0.000002638 0.000009735 -0.000013331 -0.000029450 -0.000028411 0.000025411 0.000028746 0.000000673 -0.000012833 -0.000070780 0.000032961 0.000029563 0.000079630 0.000022870 0.000070898 0.000059814 0.000039568 -0.000019861 0.000030881 0.000027907 0.000020603 -0.000013169 0.000023733 0.000068777 -0.000038008 -0.000005544 -0.000039084 0.000014985 0.000006954 -0.000006075 0.000041999 -0.000041894 -0.000026700 0.000008512 -0.000077655 -0.000023687 0.000003450 0.000099535 0.000009325 0.000014812 -0.000006183 0.000010748 -0.000009902 0.000011512 0.000008451 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276.20149999999984 AuxInfo=1/0/N:19,18,12,15,21,9,16,10,20,14,22,5,4,6,13,17,11,8,7,3,2,1/CRV:11.3,16.3,20.1,21.1/rA:50OO1O1CCCCCCCCCCCCCC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s4;s6;s6;s7s9;s1s7;s4;s8;s5;s11s12;s8;s2s13s14;s7;s8;s13;s16;s3s20s21;s4;s5;s6;s9;s9;s10;s10;s11;s12;s12;s13;s14;s14;s15;s15;s16;s16;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2034 CBGUSER 000246485 EM64L-G09RevD.01 25-Jan-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 144 C1[X(C19H28O3)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 276.20149999999984 0 1 AuxInfo=1/0/N:19,18,12,15,21,9,16,10,20,14,22,5,4,6,13,17,11,8,7,3,2,1/CRV:11.3,16.3,20.1,21.1/rA:50OO1O1CCCCCCCCCCCCCC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s4;s6;s6;s7s9;s1s7;s4;s8;s5;s11s12;s8;s2s13s14;s7;s8;s13;s16;s3s20s21;s4;s5;s6;s9;s9;s10;s10;s11;s12;s12;s13;s14;s14;s15;s15;s16;s16;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-32409.inp" -scrdir="/scratch/" chk=000246485-Freq.chk nprocshared=4 mem=7GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000246485 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 16 16 16 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 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 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 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 (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| 0.000116 0.000033 0.028105 0.005012 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.407387e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1970.8693431200 276 640 276 83 83 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 50 50 50 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 276.20149999999984 AuxInfo=1/0/N:19,18,12,15,21,9,16,10,20,14,22,5,4,6,13,17,11,8,7,3,2,1/CRV:11.3,16.3,20.1,21.1/rA:50OO1O1CCCCCCCCCCCCCC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s4;s6;s6;s7s9;s1s7;s4;s8;s5;s11s12;s8;s2s13s14;s7;s8;s13;s16;s3s20s21;s4;s5;s6;s9;s9;s10;s10;s11;s12;s12;s13;s14;s14;s15;s15;s16;s16;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.537254 0.000000 11.062159 5.216087 0.000000 3.754126 4.881444 7.812867 0.000000 5.085241 3.550750 6.518290 1.541429 0.000000 5.529297 4.108253 5.575278 2.527922 1.565540 0.000000 2.567477 6.109497 8.594301 1.558573 2.586206 3.022970 0.000000 7.033344 3.512298 4.254166 3.950418 2.609648 1.578806 4.503672 0.000000 4.783149 5.525699 6.574460 2.939556 2.583459 1.557454 2.558989 2.629534 0.000000 3.334532 6.455131 7.918746 2.513110 3.021515 2.597308 1.544534 4.017712 1.554241 0.000000 1.466513 7.240549 9.875342 2.380413 3.821759 4.390584 1.563286 5.934078 3.975268 2.628181 0.000000 3.773626 5.343919 9.018472 1.551902 2.675121 3.992396 2.456629 5.274088 4.424038 3.820939 2.506048 0.000000 7.907877 2.452407 3.597987 4.390533 3.010534 2.542681 5.372147 1.583792 3.968942 5.133817 6.638502 5.481225 0.000000 6.300537 2.447051 6.105750 2.556674 1.557981 2.578781 3.962343 3.040456 3.964219 4.454848 4.923909 3.146771 2.566305 0.000000 2.545056 6.883277 10.239658 2.451641 3.898853 4.933244 2.475896 6.382819 4.938152 3.870709 1.567572 1.566098 6.792053 4.619883 0.000000 7.786963 4.813303 3.628501 5.093594 3.972824 2.569993 5.411957 1.559243 3.071821 4.510088 6.795086 6.544498 2.526540 4.444653 7.486259 0.000000 7.601615 1.260363 4.888527 3.901657 2.542422 2.942005 5.125703 2.540453 4.432414 5.338219 6.277332 4.620655 1.530465 1.522403 6.093249 3.884914 0.000000 2.936360 6.334014 9.173058 2.604107 3.152602 3.736442 1.550988 4.924617 3.124818 2.546251 2.536323 3.057255 5.927745 4.564337 3.104726 5.936589 5.556374 0.000000 7.375158 3.588002 4.935100 4.538903 3.128026 2.590333 4.894236 1.552227 3.185224 4.603253 6.427504 5.678130 2.583671 3.675904 6.806087 2.550628 3.043033 4.817522 0.000000 9.408315 2.829163 2.441534 5.918678 4.489297 3.958827 6.856618 2.625878 5.232749 6.536144 8.166831 6.957465 1.545653 3.929791 8.309777 3.000283 2.554675 7.291502 3.157104 0.000000 9.314022 5.059265 2.442170 6.474438 5.205689 3.978340 6.897694 2.612485 4.580635 6.052440 8.304088 7.848650 2.976775 5.378601 8.906363 1.552810 4.424108 7.316264 3.150158 2.585429 0.000000 9.959384 4.338378 1.260474 6.727564 5.381768 4.439706 7.460058 3.036390 5.440584 6.830379 8.798056 7.953431 2.538762 5.103211 9.172716 2.567439 3.904579 7.960063 3.680900 1.524151 1.528089 0.000000 4.017901 5.223460 7.649210 1.116199 2.140965 2.677797 2.151327 4.142582 3.180866 2.646799 2.581324 2.156094 4.429117 2.800502 2.789393 5.078213 4.130066 3.522694 5.056152 5.970629 6.475839 6.667972 0.000000 5.233788 3.561097 6.904895 2.166976 1.108939 2.196088 2.814676 2.874735 2.865030 3.405016 4.149811 2.961388 3.447049 2.168754 4.161553 4.321350 2.839827 2.784305 2.796118 4.750269 5.447386 5.702064 3.061053 0.000000 5.708252 4.479237 5.442665 2.734153 2.160065 1.116514 3.384064 2.168903 2.157922 2.828100 4.486295 4.190562 2.675687 2.769435 5.048657 2.746662 3.224933 4.440715 3.516823 4.099631 4.137937 4.458317 2.405851 3.083828 0.000000 5.004833 5.621606 6.905336 3.428088 2.918742 2.197915 2.872623 2.862797 1.107196 2.186342 4.378729 4.748396 4.329839 4.353273 5.276840 3.404513 4.689066 2.844908 2.833208 5.457652 4.755389 5.707557 3.951905 2.763133 3.084939 0.000000 5.475852 6.150768 6.276187 3.912771 3.532639 2.189594 3.501513 2.862691 1.105961 2.173789 4.773948 5.433594 4.249112 4.756060 5.869802 2.696267 5.031887 4.118972 3.564410 5.340511 4.183241 5.233529 3.938445 3.885428 2.461322 1.770642 0.000000 3.584063 6.765889 7.886926 2.767090 3.428116 2.889199 2.175401 4.343056 2.185557 1.110506 2.771901 4.062035 5.270209 4.636092 4.025137 4.662745 5.569276 3.497505 5.229952 6.689406 6.208982 6.903358 2.426670 4.083517 2.669355 3.093708 2.466385 0.000000 3.187094 7.426595 8.670648 3.492871 4.027742 3.546511 2.196280 4.817197 2.192993 1.107008 2.987304 4.636433 6.075508 5.512541 4.414109 5.129478 6.343474 2.750284 5.225991 7.405693 6.641180 7.583109 3.680382 4.234205 3.833371 2.483790 2.517532 1.779682 0.000000 2.024502 7.565723 9.779235 2.739839 4.176672 4.511931 2.188273 6.090729 4.138326 2.724258 1.105754 3.069499 6.723398 5.161381 2.214429 6.785204 6.507711 3.474852 6.819159 8.257156 8.309965 8.783335 2.461712 4.738618 4.339383 4.771000 4.756262 2.410743 3.125355 0.000000 4.644770 5.194855 9.009456 2.219564 3.112615 4.445172 3.418147 5.622712 5.142740 4.631264 3.334592 1.103933 5.524431 3.046102 2.229070 6.903483 4.543723 4.146764 6.166663 6.956960 8.123347 8.032550 2.419860 3.568764 4.453679 5.578396 6.091068 4.682402 5.531308 3.642506 0.000000 4.241849 5.128961 9.230611 2.201509 2.856129 4.322376 2.915367 5.413179 4.754123 4.345016 3.195119 1.106606 5.636470 3.290668 2.220467 6.804901 4.613401 2.946127 5.520734 7.020880 8.022452 8.116754 3.075261 2.729622 4.753753 4.837043 5.833644 4.807313 5.080730 3.970053 1.777232 0.000000 7.839457 3.173307 3.634434 4.363868 3.249016 2.657111 5.407489 2.164386 4.088807 5.073679 6.518746 5.493556 1.112828 2.735013 6.714461 2.714034 2.135796 6.229745 3.505171 2.172292 3.293376 2.803556 4.120035 3.973799 2.307587 4.701682 4.254395 4.971656 6.061397 6.424046 5.422531 5.854155 0.000000 6.432001 2.569712 6.988849 2.872996 2.210341 3.540299 4.303389 4.011073 4.784149 5.104517 5.087736 2.892642 3.502751 1.103270 4.454827 5.480081 2.154463 4.712968 4.369907 4.706583 6.354949 6.007752 3.288243 2.470232 3.807266 5.046133 5.677210 5.356249 6.122055 5.455161 2.639472 2.794373 3.752869 0.000000 6.387348 3.131052 6.126260 2.720147 2.179802 2.877462 4.203414 3.491635 4.267865 4.584708 4.941099 3.315050 2.847992 1.110999 4.654433 4.658167 2.151224 5.115743 4.461119 4.214879 5.620794 5.258901 2.507805 3.076557 2.614206 4.888735 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6.470218 6.807333 6.969239 2.518623 5.639904 4.492126 8.246935 7.938092 0.000000 7.535988 5.639000 4.509881 5.312936 4.335321 2.871226 5.308940 2.195848 2.778041 4.234281 6.719317 6.806637 3.502231 5.115533 7.586063 1.105983 4.717827 5.699051 2.751910 4.002650 2.170474 3.498503 5.380871 4.548155 3.208676 2.933877 2.174959 4.505135 4.634597 6.750279 7.315916 7.042151 3.739495 6.112071 5.401751 8.266599 8.320033 1.779153 0.000000 3.097538 6.430138 9.824701 2.881829 3.532468 4.467332 2.221119 5.611081 4.116008 3.525082 2.740500 2.744537 6.424695 4.714079 2.757917 6.776625 5.798954 1.105999 5.418958 7.783653 8.101778 8.610910 3.882769 3.057168 5.151938 3.837852 5.155996 4.363130 3.784806 3.810295 3.819245 2.348548 6.761752 4.601049 5.309898 2.501150 3.852776 7.077274 6.636148 0.000000 2.687922 7.363871 9.877332 3.549119 4.153455 4.484043 2.186943 5.649645 3.530957 2.780588 2.841652 4.003011 6.800795 5.619436 3.701396 6.471990 6.564247 1.105918 5.493724 8.130179 7.869328 8.666559 4.327965 3.803206 5.154253 3.157014 4.350798 3.744410 2.524895 3.729149 5.101009 3.943236 7.083604 5.813848 6.125808 3.624726 4.715578 6.749678 6.062305 1.791260 0.000000 4.012283 5.728577 8.490191 2.911454 2.879379 3.344263 2.218881 4.251949 2.810895 2.823307 3.516322 3.572323 5.339234 4.297064 3.997454 5.303992 5.027679 1.102514 3.889691 6.585507 6.577012 7.248221 3.889105 2.232003 4.255246 2.226978 3.810246 3.869402 3.089618 4.359781 4.586015 3.291244 5.806121 4.511683 5.018893 4.093102 5.075921 5.760179 5.049799 1.774882 1.776395 0.000000 7.189160 3.033434 5.626962 4.242025 2.813694 2.875046 4.734081 2.219506 3.599546 4.799893 6.213087 5.136688 2.840906 3.231083 6.363245 3.529437 2.701179 4.492868 1.103953 3.520682 4.130594 4.395105 4.923074 2.205300 3.859343 3.185641 4.237442 5.496748 5.478600 6.729985 5.605858 4.808095 3.824507 3.686193 4.198003 6.749012 7.254449 4.370117 3.795866 4.889780 5.289405 3.551284 0.000000 7.013342 4.628968 5.679851 4.695272 3.504052 2.837355 4.687248 2.198869 2.843859 4.255491 6.250532 5.885330 3.549518 4.408442 6.816452 2.822695 4.032087 4.429825 1.104559 4.164728 3.575398 4.445527 5.277302 3.060933 3.841395 2.188257 3.156510 5.016687 4.668282 6.691484 6.536753 5.719765 4.341296 5.079349 5.176825 7.224184 7.751489 3.784790 2.569849 5.148927 4.918010 3.450781 1.786855 0.000000 8.473483 3.749041 4.419073 5.596036 4.135959 3.561225 5.997179 2.213086 4.178806 5.651285 7.529007 6.697508 2.862172 4.432985 7.878999 2.788776 3.470783 5.883448 1.103573 2.849466 2.796929 3.234091 6.068079 3.807094 4.361370 3.814118 4.385392 6.235852 6.235586 7.901330 7.117827 6.497993 3.861390 5.092870 5.193169 8.351942 8.732291 3.835401 3.054945 6.454919 6.528026 4.915203 1.771556 1.777750 0.000000 9.679298 2.677511 3.070010 6.240783 4.725120 4.354817 7.112540 2.931772 5.529951 6.892494 8.495538 7.193662 2.178077 4.235039 8.585582 3.478851 2.772690 7.315417 2.877832 1.108100 2.959175 2.164303 6.477384 4.728069 4.741684 5.536968 5.725995 7.207214 7.706198 8.719601 7.266361 7.087484 3.087123 4.855039 4.759732 9.192081 9.251947 4.146792 4.311427 7.746684 8.147848 6.496156 3.100653 3.901094 2.307097 0.000000 10.054463 2.848351 2.565889 6.434078 5.075631 4.730698 7.533102 3.577746 6.116036 7.313589 8.740532 7.335204 2.194741 4.204756 8.743411 3.973594 2.818316 8.048654 4.171358 1.103046 3.508317 2.155012 6.399985 5.415926 4.717009 6.419141 6.257964 7.375337 8.246867 8.783236 7.171315 7.421962 2.503207 4.866062 4.335668 9.488272 9.224152 4.193413 5.023858 8.456915 8.947756 7.405780 4.375753 5.215392 3.876469 1.769635 0.000000 9.909424 6.104467 2.556561 7.267194 6.105618 4.757544 7.596396 3.561776 5.178521 6.588586 8.952861 8.699293 3.939707 6.325776 9.668344 2.204102 5.436137 8.089439 4.167236 3.503025 1.103952 2.152340 7.166238 6.414519 4.769123 5.418696 4.572145 6.641706 7.088055 8.864590 8.975658 8.948901 4.046547 7.340969 6.455566 10.435156 10.292275 2.476121 2.550080 8.942064 8.556743 7.397821 5.189195 4.437966 3.817945 3.950855 4.282488 0.000000 9.608114 5.185889 3.040879 6.856144 5.509186 4.398536 7.186273 2.936335 4.868043 6.408833 8.672790 8.180671 3.468242 5.763055 9.258477 2.188644 4.729786 7.373128 2.887296 2.939894 1.109740 2.143155 7.023897 5.528956 4.799896 4.786927 4.550129 6.737023 6.913439 8.804373 8.536155 8.215609 4.054406 6.647268 6.190007 9.888162 10.011119 3.091765 2.456272 8.132609 7.887426 6.515627 3.868485 3.203588 2.240943 2.889542 3.929038 1.779850 0.000000 0.990984 8.589242 11.437798 4.023518 5.259987 5.862904 2.853379 7.292500 5.134906 3.835150 2.016130 3.829753 8.182270 6.478352 2.651338 8.157597 7.757498 2.702933 7.439630 9.655174 9.647080 10.288402 4.512583 5.210430 6.197281 5.162434 5.922261 4.295546 3.661530 2.855648 4.774209 4.044105 8.234848 6.485992 6.707679 2.322813 3.324084 8.186381 7.888159 2.602216 2.378077 3.784117 7.144517 7.046034 8.526435 9.819924 10.317762 10.307699 9.842634 0.000000 C19H28O3 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 0 276.20149999999984 AuxInfo=1/0/N:19,18,12,15,21,9,16,10,20,14,22,5,4,6,13,17,11,8,7,3,2,1/CRV:11.3,16.3,20.1,21.1/rA:50OO1O1CCCCCCCCCCCCCC3CCCCC3HHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s4;s6;s6;s7s9;s1s7;s4;s8;s5;s11s12;s8;s2s13s14;s7;s8;s13;s16;s3s20s21;s4;s5;s6;s9;s9;s10;s10;s11;s12;s12;s13;s14;s14;s15;s15;s16;s16;s18;s18;s18;s19;s19;s19;s20;s20;s21;s21;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.6470931 0.1573483 0.1388116 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= 17766 NPrTT= 88956 LenC2= 15907 LenP2D= 50973. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 276 RedAO= T EigKep= 7.99D-04 NBF= 276 NBsUse= 276 1.00D-06 EigRej= -1.00D+00 NBFU= 276 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= 266 266 266 266 266 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 0 1 -964.718378583151 -964.893156783084 -0.174778199933 -965.057507904694 -0.164351121611 -963.871934990048 1.185572914646 -965.095105090411 -1.223170100363 -965.219661001308 -0.124555910897 -965.220481508091 -0.000820506783 -965.220685728354 -0.000204220263 -965.220706991729 -0.000021263375 -965.220714040534 -0.000007048805 -965.220621815231 0.000092225303 -965.220622506727 -0.000000691496 -965.220622162641 0.000000344086 -965.220622823555 -0.000000660914 -965.220622843120 -0.000000019566 -965.220622843888 -0.000000000768 -965.220622843943 -0.000000000055 -965.220622843918 0.000000000025 -965.220622843967 -0.000000000049 -965.220622844 19 9.602774696715e+02 -6.188671960211e+03 2.292304524576e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=741510433. IVT= 250954 IEndB= 250954 NGot= 939524096 MDV= 208640492 LenX= 208640492 LenY= 208563875 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= 38226 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= 50. Will process 51 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111111111 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= 939523316 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=741273995. 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= 38226 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 153 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 150 vectors produced by pass 0 Test12= 1.60D-14 1.00D-09 XBig12= 2.29D+02 2.87D+00. AX will form 150 AO Fock derivatives at one time. 150 vectors produced by pass 1 Test12= 1.60D-14 1.00D-09 XBig12= 4.94D+01 1.62D+00. 150 vectors produced by pass 2 Test12= 1.60D-14 1.00D-09 XBig12= 6.72D-02 1.55D-02. 150 vectors produced by pass 3 Test12= 1.60D-14 1.00D-09 XBig12= 2.92D-05 3.00D-04. 70 vectors produced by pass 4 Test12= 1.60D-14 1.00D-09 XBig12= 1.85D-09 3.22D-06. 3 vectors produced by pass 5 Test12= 1.60D-14 1.00D-09 XBig12= 1.40D-13 2.47D-08. 1 vectors produced by pass 6 Test12= 1.60D-14 1.00D-09 XBig12= 3.18D-16 1.02D-09. InvSVY: IOpt=1 It= 1 EMax= 2.31D-14 Solved reduced A of dimension 674 with 153 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 200.20 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 248.830 -0.620 191.674 -4.156 0.960 160.092 354.653 12.338 332.082 -12.410 14.704 315.180 (Enter /mnt/data/applications/G09/g09/l716.exe) PT6831.500S 2018-01-25T16:26:15.000+01:00 -18.76258 -18.76128 -18.75371 -9.99280 -9.98806 -9.95073 -9.93692 -9.92512 -9.91995 -9.91823 -9.91464 -9.91267 -9.91125 -9.91014 -9.90951 -9.90450 -9.90350 -9.90310 -9.90286 -9.89860 -9.89708 -9.89477 -0.95733 -0.94812 -0.92982 -0.80238 -0.78098 -0.73710 -0.72202 -0.70036 -0.68992 -0.66774 -0.65066 -0.62993 -0.62000 -0.61726 -0.58529 -0.55370 -0.54587 -0.52478 -0.51009 -0.49660 -0.47382 -0.47093 -0.45271 -0.43942 -0.43114 -0.43039 -0.42456 -0.41609 -0.40572 -0.40301 -0.39556 -0.38473 -0.37894 -0.37702 -0.37168 -0.36985 -0.36233 -0.35912 -0.35668 -0.35010 -0.34504 -0.34376 -0.33501 -0.32873 -0.32157 -0.31763 -0.31685 -0.31359 -0.30722 -0.30086 -0.29695 -0.29284 -0.28836 -0.28409 -0.28070 -0.27334 -0.26485 -0.25680 -0.21711 -0.20488 -0.19430 -0.07600 -0.06184 0.03191 0.05454 0.06228 0.06594 0.07042 0.07281 0.07919 0.08700 0.09094 0.09765 0.10003 0.10841 0.11466 0.11558 0.11736 0.12229 0.12255 0.12911 0.13305 0.13712 0.13825 0.13978 0.14371 0.14763 0.15089 0.15525 0.16378 0.16848 0.16997 0.17706 0.17909 0.18327 0.19016 0.19237 0.19929 0.20183 0.20436 0.20629 0.21171 0.21659 0.21877 0.23083 0.23474 0.23758 0.24165 0.24869 0.25497 0.25773 0.26666 0.26856 0.27837 0.28119 0.29099 0.29706 0.30330 0.30606 0.31395 0.31765 0.32603 0.32826 0.33522 0.35329 0.35448 0.36022 0.36129 0.36391 0.37358 0.37750 0.38703 0.39286 0.39508 0.40262 0.41284 0.42013 0.42618 0.42865 0.43458 0.44187 0.44917 0.45335 0.46079 0.46833 0.48090 0.48668 0.49580 0.49969 0.50643 0.50936 0.52065 0.52410 0.53690 0.54233 0.55354 0.56686 0.57209 0.57786 0.58211 0.59070 0.60214 0.61292 0.63459 0.65342 0.65746 0.67166 0.68459 0.71281 0.73130 0.75282 0.77562 0.78608 0.79643 0.81619 0.83233 0.85417 0.86149 0.86373 0.88510 0.89158 0.89686 0.90291 0.91237 0.92104 0.93340 0.95648 0.95915 0.96520 0.97689 0.99291 1.00242 1.01048 1.01484 1.03527 1.04179 1.04699 1.06864 1.07939 1.08427 1.08842 1.09962 1.11697 1.11862 1.12987 1.13307 1.14172 1.15983 1.16205 1.17629 1.18567 1.20095 1.21933 1.23093 1.24316 1.26065 1.28171 1.30693 1.31095 1.34044 1.35328 1.38438 1.40013 1.43933 1.45693 1.49113 1.53201 1.60303 1.64500 1.66449 1.70869 1.79213 22.38574 22.48267 22.51893 22.55810 22.59272 22.60329 22.61188 22.62911 22.63369 22.64259 22.66005 22.66728 22.67374 22.69233 22.69452 22.71065 22.73853 22.75353 22.75775 41.53775 41.54401 41.55305 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 O O O 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 -0.431233 -0.180963 -0.196178 -0.135521 -0.143268 -0.108180 0.423629 0.385053 -0.530823 -0.525648 -0.234659 -0.538468 -0.208036 -0.620918 -0.474863 -0.496826 0.123926 -0.863589 -0.842062 -0.593354 -0.553313 0.180103 0.215721 0.259129 0.196807 0.216993 0.220999 0.198750 0.226870 0.245481 0.218402 0.229146 0.245586 0.258135 0.229333 0.210640 0.228402 0.220983 0.226084 0.227839 0.234081 0.236176 0.242924 0.223559 0.230657 0.254369 0.260179 0.246698 0.230166 0.331076 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 O O O C C C C C C C C C C C C C C C C C C C -0.100157 -0.180963 -0.196178 0.080200 0.115861 0.088627 0.423629 0.385053 -0.092831 -0.100028 0.010823 -0.090920 0.037550 -0.133449 -0.035821 -0.049758 0.123926 -0.165491 -0.144923 -0.078806 -0.076449 0.180103 0.00000 -1.61472765e+00 -5.60778181e-01 4.76065384e-01 2.48830345e+02 -6.20312152e-01 1.91674334e+02 -4.15633563e+00 9.60301679e-01 1.60091910e+02 -13.4015 -0.0003 0.0002 0.0005 6.5016 14.0787 37.9339 53.9396 69.9116 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 37.4985 53.8978 69.9056 92.0498 108.9987 120.6760 132.9944 141.0474 174.9951 195.5224 206.6983 210.7875 230.9667 244.0279 256.5278 272.3051 282.3806 307.2400 320.5221 328.9012 347.9477 370.3881 385.6640 390.5774 406.5000 429.1309 447.4561 463.3535 490.3064 504.3340 509.7068 538.3852 550.8632 589.2484 610.4812 630.3493 651.0869 689.9057 707.5421 740.7961 763.8471 797.1736 817.0469 824.8073 827.7990 867.4653 873.1057 902.2697 919.3541 922.5647 932.9187 951.6257 960.8090 979.0079 985.5959 991.4190 1005.6587 1016.5111 1017.6095 1031.7705 1033.2227 1054.7181 1066.4146 1085.1953 1088.5630 1095.7741 1105.3873 1123.4270 1125.7133 1141.0252 1150.4234 1159.8275 1169.0045 1186.4880 1202.9388 1206.0641 1216.6209 1221.5755 1234.2529 1238.9908 1245.3219 1250.6369 1260.3009 1266.6375 1273.5863 1278.8588 1282.9535 1289.1574 1298.3095 1301.4344 1311.1073 1321.2912 1326.6114 1333.0124 1333.6920 1337.6625 1347.4281 1355.5717 1360.8146 1383.7234 1389.7322 1399.1111 1439.2608 1444.6487 1447.7106 1459.3435 1464.5129 1465.0421 1470.3643 1478.6903 1483.2141 1488.1044 1488.9143 1496.3035 1627.1672 1632.2020 2902.4584 2909.7403 2945.0784 2960.3382 2960.7076 2968.5385 2975.1929 2978.8651 2983.3512 2985.5790 2986.4072 2993.5645 2996.0855 3000.9601 3020.3089 3029.9493 3035.8123 3044.9188 3049.6675 3063.6337 3068.0739 3069.8296 3075.2055 3078.7923 3081.6811 3082.1898 3083.6180 3553.7663 5.9698 4.1862 5.1788 4.3470 2.7810 4.4926 1.6651 1.5185 1.9705 1.8793 2.4849 4.0812 2.0286 3.2490 2.7086 2.8824 3.9357 2.7200 2.4274 1.1496 3.3718 2.2417 2.6921 3.2577 3.2325 2.3503 3.0273 3.1652 3.5461 2.7384 2.8888 2.9020 3.7458 3.0495 2.9472 3.4188 4.1214 3.1090 2.2948 2.5187 2.3819 3.0841 1.9949 1.9573 1.8359 1.8326 1.9696 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