Gaussian 09 GINC-KIMIK2075 CBGUSER 000270342 EM64L-G09RevD.01 17-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm 240.21399999999988 0 1 AuxInfo=1/0/N:17,19,18,20,9,11,10,12,13,14,15,16,1,2,5,6,7,8,3,4/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16,17,18)(19,20)/CRV:15.3,16.3,17.3,18.3,19.3,20.3/rA:46CCC3C3C3C3C3C3CCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s4s7;s1;s2;s1;s2;s5;s6;s7;s8;s9s13;s10s14;s11s15;s12s16;s1;s2;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-17434.inp" -scrdir="/scratch/" chk=000270342.chk nprocshared=4 mem=3GB #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 000270342 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 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (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 1 1 1 1 2 2 2 2 3 3 4 4 5 5 6 7 7 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 19 19 20 20 3 9 11 21 4 10 12 22 5 7 6 8 6 13 14 8 15 16 17 23 24 18 25 26 19 27 28 20 29 30 17 31 32 18 33 34 19 35 36 20 37 38 39 40 41 42 43 44 45 46 1.516 1.5379 1.5379 1.1231 1.516 1.5379 1.5379 1.1231 1.4066 1.4066 1.4066 1.4066 1.4129 1.5102 1.5102 1.4129 1.5102 1.5102 1.5286 1.1043 1.1066 1.5286 1.1043 1.1066 1.5286 1.1043 1.1066 1.5286 1.1043 1.1066 1.5331 1.1108 1.1124 1.5331 1.1108 1.1124 1.5331 1.1124 1.1108 1.5331 1.1124 1.1108 1.1077 1.1059 1.1077 1.1059 1.1059 1.1077 1.1059 1.1077 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 3 9 9 11 4 4 4 10 10 12 1 1 5 2 2 6 3 3 6 4 4 5 3 3 8 4 4 7 1 1 1 17 17 23 2 2 2 18 18 25 1 1 1 19 19 27 2 2 2 20 20 29 5 5 5 17 17 31 6 6 6 18 18 33 7 7 7 19 19 35 8 8 8 20 20 37 9 9 9 13 13 39 10 10 10 14 14 41 11 11 11 15 15 43 12 12 12 16 16 45 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 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 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 9 11 21 11 21 21 10 12 22 12 22 22 5 7 7 6 8 8 6 13 13 5 14 14 8 15 15 7 16 16 17 23 24 23 24 24 18 25 26 25 26 26 19 27 28 27 28 28 20 29 30 29 30 30 17 31 32 31 32 32 18 33 34 33 34 34 19 35 36 35 36 36 20 37 38 37 38 38 13 39 40 39 40 40 14 41 42 41 42 42 15 43 44 43 44 44 16 45 46 45 46 46 111.6445 111.6438 106.4753 110.4457 108.2168 108.2169 111.6441 111.6443 106.4753 110.4455 108.217 108.2169 119.9557 119.9551 120.0484 119.9554 119.9555 120.0484 119.9758 121.8286 118.177 119.9757 121.8287 118.177 119.9758 121.8288 118.1768 119.9758 121.8287 118.1769 108.7699 110.4743 110.281 110.6373 110.3567 106.3134 108.7701 110.4744 110.2808 110.6373 110.3567 106.3134 108.7698 110.4745 110.2808 110.6374 110.3567 106.3134 108.7703 110.4741 110.2809 110.6371 110.3567 106.3135 115.7676 109.4514 107.8289 108.3495 108.8953 106.1272 115.7682 109.4509 107.829 108.3496 108.8951 106.127 115.7681 107.8287 109.4512 108.8951 108.3496 106.1272 115.7682 107.8287 109.4511 108.8952 108.3495 106.1271 110.8908 109.841 110.4422 109.8854 109.7713 105.8903 110.8914 109.841 110.442 109.8853 109.771 105.8902 110.8912 110.4422 109.841 109.7711 109.8852 105.8902 110.8915 110.4418 109.841 109.7709 109.8854 105.8903 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 9 9 11 11 21 21 3 3 3 11 11 11 21 21 21 3 3 3 9 9 9 21 21 21 10 10 12 12 22 22 4 4 4 12 12 12 22 22 22 4 4 4 10 10 10 22 22 22 1 1 7 7 1 1 5 5 2 2 8 8 2 2 6 6 3 3 13 13 3 3 3 6 6 6 4 4 4 5 5 5 3 3 15 15 3 3 3 8 8 8 4 4 4 7 7 7 1 1 1 23 23 23 24 24 24 2 2 2 25 25 25 26 26 26 1 1 1 27 27 27 28 28 28 2 2 2 29 29 29 30 30 30 5 5 5 31 31 31 32 32 32 6 6 6 33 33 33 34 34 34 7 7 7 35 35 35 36 36 36 8 8 8 37 37 37 38 38 38 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 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 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 3 3 3 3 3 3 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 4 4 4 4 4 4 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 5 5 5 5 7 7 7 7 6 6 6 6 8 8 8 8 6 6 6 6 13 13 13 13 13 13 14 14 14 14 14 14 8 8 8 8 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 5 7 5 7 5 7 17 23 24 17 23 24 17 23 24 19 27 28 19 27 28 19 27 28 6 8 6 8 6 8 18 25 26 18 25 26 18 25 26 20 29 30 20 29 30 20 29 30 6 13 6 13 8 15 8 15 5 14 5 14 7 16 7 16 4 14 4 14 17 31 32 17 31 32 18 33 34 18 33 34 4 16 4 16 19 35 36 19 35 36 20 37 38 20 37 38 13 39 40 13 39 40 13 39 40 14 41 42 14 41 42 14 41 42 15 43 44 15 43 44 15 43 44 16 45 46 16 45 46 16 45 46 9 39 40 9 39 40 9 39 40 10 41 42 10 41 42 10 41 42 11 43 44 11 43 44 11 43 44 12 45 46 12 45 46 12 45 46 29.0682 -153.2515 153.248 -29.0717 -88.842 88.8383 -57.3189 -178.9357 63.8304 177.8309 56.2141 -61.0198 59.5412 -62.0757 -179.3095 57.3216 178.9386 -63.8275 -177.8278 -56.2108 61.0231 -59.5382 62.0789 179.3127 29.0701 -153.2494 153.2496 -29.0699 -88.8401 88.8404 -57.3207 -178.9377 63.8285 177.8289 56.212 -61.0218 59.5392 -62.0777 -179.3115 57.3197 178.9365 -63.8297 -177.8301 -56.2134 61.0205 -59.5404 62.0764 179.3102 177.7397 -3.8582 0.0616 178.4636 -177.739 3.8587 -0.0608 -178.4631 177.7407 -3.8567 0.0624 178.465 -177.74 3.8577 -0.0617 -178.464 -0.0623 -178.5227 -178.5221 3.0175 7.5529 130.3191 -114.6548 -174.0174 -51.2512 63.7749 7.5477 130.314 -114.6603 -174.0221 -51.2557 63.7699 0.0608 178.5209 178.5209 -3.019 -7.5494 114.6584 -130.3158 174.0207 -63.7716 51.2542 -7.5492 114.6587 -130.3156 174.0208 -63.7712 51.2544 61.2406 -60.4123 -176.844 -177.242 61.1052 -55.3266 -59.8623 178.4849 62.0532 61.2388 -60.4143 -176.8459 -177.2437 61.1032 -55.3283 -59.8639 178.483 62.0514 -61.2393 176.8452 60.4135 177.243 55.3275 -61.1042 59.8632 -62.0523 -178.484 -61.2382 176.8466 60.4151 177.2446 55.3294 -61.1021 59.8648 -62.0504 -178.4819 -36.452 85.1748 -158.7588 -159.7979 -38.1711 77.8953 85.1876 -153.1856 -37.1192 -36.4468 85.1803 -158.7536 -159.7926 -38.1655 77.9007 85.1932 -153.1797 -37.1136 36.4477 158.7547 -85.1791 -85.1918 37.1152 153.1813 159.7938 -77.8993 38.1669 36.4475 158.7541 -85.1797 -85.1922 37.1144 153.1805 159.7935 -77.9 38.1662 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 276 276 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 14878 NPrTT= 74418 LenC2= 13694 LenP2D= 44284. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 8.67D-05 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 Using GEDIIS/GDIIS optimizer. local minimum Step number 5 out of a maximum of 276 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00271 0.00479 0.00480 0.00560 0.00622 0.00623 0.00796 0.00825 0.01105 0.01177 0.01252 0.01263 0.01406 0.01419 0.01522 0.02516 0.02550 0.02672 0.02762 0.02822 0.02980 0.03128 0.03142 0.03652 0.03739 0.04186 0.04188 0.04222 0.04334 0.04589 0.04682 0.04918 0.04920 0.05040 0.05076 0.05280 0.05285 0.05506 0.05511 0.05777 0.05788 0.05908 0.05954 0.06262 0.06263 0.07300 0.07341 0.07498 0.07566 0.07723 0.07723 0.07723 0.07743 0.08005 0.08005 0.08006 0.08021 0.09702 0.09807 0.09819 0.09838 0.09945 0.09963 0.10180 0.10277 0.12081 0.12095 0.12184 0.12203 0.16003 0.16711 0.16769 0.16901 0.18400 0.18449 0.19370 0.19477 0.23431 0.23442 0.23827 0.23965 0.24962 0.26565 0.27127 0.27565 0.27586 0.27874 0.27925 0.28277 0.28407 0.28501 0.28699 0.28700 0.29026 0.29765 0.29872 0.30815 0.30839 0.30848 0.31126 0.31248 0.31372 0.32351 0.32351 0.32351 0.32353 0.32429 0.32513 0.32513 0.32513 0.32842 0.32842 0.32842 0.32870 0.32966 0.32966 0.32966 0.33041 0.33041 0.33041 0.33131 0.33209 0.33209 0.33209 0.33240 0.33645 0.36927 0.39613 0.43103 0.43271 0.43384 0.45835 RFO step: Lambda=-5.95877618D-07. 1 2 3 0.00203048 0.00000247 0.00000000 0.00000276 0.00000219 0.00000219 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 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 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 2.90767 2.91562 2.91562 2.10749 2.90767 2.91562 2.91562 2.10748 2.69153 2.69153 2.69153 2.69153 2.69608 2.89476 2.89476 2.69608 2.89476 2.89476 2.90843 2.09334 2.09620 2.90843 2.09334 2.09620 2.90843 2.09334 2.09620 2.90843 2.09334 2.09620 2.91793 2.09410 2.10111 2.91793 2.09410 2.10111 2.91793 2.10111 2.09410 2.91793 2.10111 2.09410 2.09529 2.09133 2.09529 2.09133 2.09133 2.09529 2.09133 2.09529 1.95067 1.95067 1.87541 1.97192 1.85350 1.85350 1.95067 1.95067 1.87541 1.97192 1.85350 1.85350 2.09812 2.09811 2.08691 2.09812 2.09812 2.08691 2.09814 2.11990 2.06459 2.09814 2.11990 2.06459 2.09814 2.11990 2.06459 2.09814 2.11990 2.06459 1.90402 1.91068 1.92092 1.93253 1.92308 1.87250 1.90402 1.91069 1.92092 1.93253 1.92309 1.87250 1.90402 1.91069 1.92092 1.93253 1.92309 1.87250 1.90402 1.91069 1.92092 1.93253 1.92309 1.87250 2.01139 1.91761 1.88788 1.90735 1.89632 1.83483 2.01139 1.91760 1.88788 1.90735 1.89632 1.83483 2.01139 1.88788 1.91761 1.89632 1.90735 1.83483 2.01139 1.88788 1.91761 1.89632 1.90735 1.83483 1.93086 1.89410 1.94383 1.91734 1.91124 1.86522 1.93086 1.89410 1.94383 1.91734 1.91124 1.86522 1.93086 1.94383 1.89410 1.91124 1.91734 1.86522 1.93086 1.94383 1.89410 1.91124 1.91734 1.86522 0.46084 -2.69038 2.69036 -0.46085 -1.56599 1.56598 -0.97801 -3.09521 1.13393 3.08709 0.96989 -1.08417 1.06210 -1.05510 -3.10915 0.97802 3.09522 -1.13391 -3.08707 -0.96987 1.08418 -1.06209 1.05511 3.10916 0.46084 -2.69037 2.69037 -0.46085 -1.56599 1.56598 -0.97801 -3.09521 1.13392 3.08708 0.96988 -1.08417 1.06210 -1.05510 -3.10916 0.97802 3.09522 -1.13392 -3.08708 -0.96988 1.08418 -1.06209 1.05511 3.10916 3.13177 -0.04654 -0.00026 3.10461 -3.13177 0.04654 0.00026 -3.10461 3.13178 -0.04654 -0.00026 3.10461 -3.13177 0.04654 0.00026 -3.10461 0.00026 -3.10576 -3.10576 0.07140 0.15962 2.32315 -1.96607 -3.01801 -0.85448 1.13949 0.15961 2.32313 -1.96609 -3.01802 -0.85450 1.13947 -0.00026 3.10576 3.10576 -0.07141 -0.15961 1.96609 -2.32313 3.01803 -1.13947 0.85450 -0.15961 1.96609 -2.32313 3.01802 -1.13947 0.85450 1.09829 -1.00641 -3.05494 -3.08104 1.09745 -0.95109 -1.01232 -3.11702 1.11763 1.09829 -1.00641 -3.05494 -3.08104 1.09744 -0.95109 -1.01232 -3.11702 1.11763 -1.09829 3.05495 1.00641 3.08105 0.95109 -1.09744 1.01232 -1.11763 3.11702 -1.09829 3.05494 1.00641 3.08104 0.95109 -1.09744 1.01232 -1.11763 3.11702 -0.68281 1.40798 -2.83177 -2.85172 -0.76093 1.28251 1.43832 -2.75407 -0.71063 -0.68280 1.40800 -2.83176 -2.85171 -0.76091 1.28252 1.43833 -2.75405 -0.71062 0.68279 2.83175 -1.40800 -1.43834 0.71061 2.75405 2.85170 -1.28253 0.76091 0.68280 2.83175 -1.40800 -1.43834 0.71062 2.75405 2.85171 -1.28252 0.76091 0.00000 -0.00004 -0.00004 0.00001 0.00000 -0.00004 -0.00004 0.00001 0.00006 0.00006 0.00006 0.00006 0.00010 0.00005 0.00005 0.00010 0.00005 0.00005 -0.00001 -0.00001 0.00003 -0.00001 -0.00001 0.00003 -0.00001 -0.00001 0.00003 -0.00001 -0.00001 0.00003 -0.00005 -0.00003 0.00000 -0.00005 -0.00003 0.00000 -0.00005 0.00000 -0.00003 -0.00005 0.00000 -0.00003 0.00001 0.00004 0.00001 0.00004 0.00004 0.00001 0.00004 0.00001 0.00002 0.00002 -0.00002 -0.00005 0.00001 0.00001 0.00002 0.00002 -0.00002 -0.00005 0.00001 0.00001 -0.00002 -0.00002 0.00003 -0.00002 -0.00002 0.00003 -0.00002 -0.00004 0.00006 -0.00002 -0.00004 0.00006 -0.00002 -0.00004 0.00006 -0.00002 -0.00004 0.00006 0.00002 0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00002 0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00002 0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00002 0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00004 0.00002 -0.00003 -0.00005 -0.00001 0.00002 0.00004 0.00002 -0.00003 -0.00005 -0.00001 0.00002 0.00004 -0.00003 0.00002 -0.00001 -0.00005 0.00002 0.00004 -0.00003 0.00002 -0.00001 -0.00005 0.00002 -0.00001 0.00002 0.00000 -0.00001 0.00003 -0.00002 -0.00001 0.00002 0.00000 -0.00001 0.00003 -0.00002 -0.00001 0.00000 0.00002 0.00003 -0.00001 -0.00002 -0.00001 0.00000 0.00002 0.00003 -0.00001 -0.00002 0.00002 0.00001 -0.00001 -0.00002 0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00002 -0.00002 -0.00001 -0.00002 -0.00002 -0.00001 0.00001 0.00001 0.00000 0.00002 0.00002 0.00001 0.00002 0.00002 0.00001 0.00002 0.00001 -0.00001 -0.00002 0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00002 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0.00000 0.00001 -0.00001 0.00001 0.00002 0.00000 -0.00001 -0.00001 -0.00002 0.00000 0.00001 -0.00001 0.00001 0.00002 0.00000 -0.00001 0.00020 0.00020 0.00003 -0.00001 0.00020 0.00020 0.00003 0.00016 0.00016 0.00016 0.00016 0.00013 0.00010 0.00010 0.00013 0.00010 0.00010 0.00031 -0.00006 -0.00015 0.00031 -0.00006 -0.00015 0.00031 -0.00006 -0.00015 0.00031 -0.00006 -0.00015 -0.00014 -0.00014 0.00006 -0.00014 -0.00014 0.00006 -0.00014 0.00006 -0.00014 -0.00014 0.00006 -0.00014 -0.00004 0.00004 -0.00004 0.00004 0.00004 -0.00004 0.00004 -0.00004 0.00031 0.00031 -0.00051 0.00000 -0.00009 -0.00009 0.00031 0.00031 -0.00051 0.00000 -0.00009 -0.00009 0.00001 0.00001 -0.00004 0.00001 0.00001 -0.00004 0.00002 -0.00017 0.00013 0.00002 -0.00017 0.00013 0.00002 -0.00017 0.00013 0.00002 -0.00017 0.00013 0.00013 0.00049 -0.00014 0.00042 -0.00042 -0.00048 0.00013 0.00049 -0.00014 0.00042 -0.00042 -0.00048 0.00013 0.00049 -0.00014 0.00042 -0.00042 -0.00048 0.00013 0.00049 -0.00014 0.00042 -0.00042 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0.00040 -0.00078 -0.00037 0.00015 0.00015 0.00040 0.00040 -0.00078 -0.00037 0.00015 0.00015 -0.00009 -0.00009 0.00015 -0.00009 -0.00009 0.00015 -0.00008 -0.00029 0.00035 -0.00008 -0.00029 0.00035 -0.00008 -0.00029 0.00035 -0.00008 -0.00029 0.00035 0.00023 0.00018 -0.00005 0.00026 -0.00026 -0.00036 0.00023 0.00018 -0.00005 0.00026 -0.00026 -0.00036 0.00023 0.00018 -0.00005 0.00026 -0.00026 -0.00036 0.00023 0.00018 -0.00004 0.00026 -0.00026 -0.00036 0.00017 0.00050 -0.00041 -0.00021 -0.00035 0.00032 0.00017 0.00050 -0.00041 -0.00021 -0.00035 0.00032 0.00017 -0.00041 0.00050 -0.00035 -0.00021 0.00032 0.00017 -0.00041 0.00050 -0.00035 -0.00021 0.00032 -0.00008 0.00029 -0.00009 0.00015 0.00020 -0.00048 -0.00008 0.00029 -0.00009 0.00015 0.00020 -0.00048 -0.00008 -0.00009 0.00029 0.00020 0.00015 -0.00048 -0.00008 -0.00009 0.00029 0.00020 0.00015 -0.00048 0.00133 -0.00146 0.00147 -0.00132 0.00140 -0.00139 0.00056 0.00000 0.00035 0.00000 -0.00057 -0.00021 -0.00008 -0.00064 -0.00029 -0.00057 0.00000 -0.00036 0.00000 0.00056 0.00021 0.00007 0.00064 0.00028 0.00132 -0.00147 0.00147 -0.00132 0.00140 -0.00139 0.00056 0.00000 0.00035 0.00000 -0.00057 -0.00021 -0.00007 -0.00064 -0.00028 -0.00056 0.00000 -0.00035 0.00000 0.00056 0.00021 0.00007 0.00064 0.00028 -0.00293 -0.00339 -0.00015 -0.00062 0.00293 0.00339 0.00015 0.00062 -0.00293 -0.00339 -0.00015 -0.00062 0.00293 0.00339 0.00015 0.00062 0.00015 0.00062 0.00062 0.00108 0.00349 0.00374 0.00415 0.00303 0.00328 0.00369 0.00350 0.00375 0.00416 0.00304 0.00329 0.00370 -0.00015 -0.00062 -0.00062 -0.00108 -0.00350 -0.00416 -0.00375 -0.00304 -0.00370 -0.00328 -0.00350 -0.00416 -0.00375 -0.00304 -0.00370 -0.00328 -0.00060 -0.00092 -0.00046 -0.00008 -0.00040 0.00006 -0.00052 -0.00084 -0.00038 -0.00060 -0.00092 -0.00046 -0.00008 -0.00039 0.00006 -0.00052 -0.00084 -0.00038 0.00060 0.00046 0.00092 0.00007 -0.00006 0.00039 0.00052 0.00038 0.00084 0.00060 0.00046 0.00092 0.00008 -0.00006 0.00039 0.00052 0.00038 0.00084 -0.00146 -0.00106 -0.00143 -0.00208 -0.00167 -0.00205 -0.00215 -0.00175 -0.00212 -0.00147 -0.00107 -0.00144 -0.00209 -0.00168 -0.00206 -0.00216 -0.00176 -0.00213 0.00147 0.00144 0.00107 0.00216 0.00213 0.00176 0.00209 0.00206 0.00168 0.00147 0.00144 0.00106 0.00216 0.00213 0.00176 0.00209 0.00205 0.00168 2.90753 2.91547 2.91547 2.10754 2.90753 2.91547 2.91547 2.10754 2.69169 2.69169 2.69169 2.69169 2.69623 2.89498 2.89498 2.69623 2.89498 2.89498 2.90848 2.09327 2.09633 2.90847 2.09327 2.09633 2.90847 2.09327 2.09633 2.90848 2.09327 2.09633 2.91771 2.09392 2.10115 2.91771 2.09392 2.10115 2.91771 2.10115 2.09392 2.91771 2.10115 2.09392 2.09536 2.09147 2.09536 2.09147 2.09147 2.09536 2.09147 2.09536 1.95107 1.95107 1.87463 1.97155 1.85365 1.85365 1.95107 1.95107 1.87463 1.97155 1.85365 1.85365 2.09803 2.09803 2.08706 2.09803 2.09803 2.08706 2.09806 2.11961 2.06493 2.09806 2.11961 2.06493 2.09806 2.11961 2.06493 2.09806 2.11961 2.06493 1.90425 1.91086 1.92087 1.93279 1.92282 1.87215 1.90424 1.91086 1.92087 1.93279 1.92282 1.87215 1.90424 1.91086 1.92087 1.93279 1.92282 1.87215 1.90424 1.91086 1.92087 1.93279 1.92282 1.87215 2.01156 1.91810 1.88747 1.90713 1.89597 1.83514 2.01156 1.91810 1.88747 1.90713 1.89597 1.83514 2.01156 1.88747 1.91810 1.89597 1.90713 1.83514 2.01156 1.88747 1.91810 1.89597 1.90713 1.83514 1.93078 1.89439 1.94373 1.91749 1.91144 1.86474 1.93078 1.89439 1.94373 1.91749 1.91144 1.86474 1.93078 1.94373 1.89439 1.91144 1.91749 1.86474 1.93078 1.94373 1.89439 1.91144 1.91749 1.86474 0.46216 -2.69184 2.69183 -0.46217 -1.56460 1.56459 -0.97745 -3.09521 1.13428 3.08708 0.96932 -1.08438 1.06202 -1.05574 -3.10944 0.97745 3.09522 -1.13427 -3.08707 -0.96931 1.08439 -1.06202 1.05575 3.10945 0.46216 -2.69184 2.69183 -0.46217 -1.56459 1.56459 -0.97745 -3.09521 1.13427 3.08708 0.96932 -1.08438 1.06202 -1.05574 -3.10944 0.97745 3.09522 -1.13427 -3.08708 -0.96931 1.08439 -1.06202 1.05574 3.10944 3.12885 -0.04993 -0.00041 3.10399 -3.12885 0.04993 0.00042 -3.10399 3.12885 -0.04993 -0.00041 3.10399 -3.12885 0.04993 0.00041 -3.10399 0.00042 -3.10514 -3.10514 0.07248 0.16312 2.32689 -1.96192 -3.01498 -0.85121 1.14317 0.16311 2.32688 -1.96192 -3.01498 -0.85121 1.14317 -0.00042 3.10514 3.10514 -0.07249 -0.16311 1.96193 -2.32688 3.01499 -1.14316 0.85122 -0.16311 1.96193 -2.32688 3.01499 -1.14317 0.85121 1.09769 -1.00733 -3.05540 -3.08112 1.09705 -0.95103 -1.01284 -3.11786 1.11725 1.09769 -1.00733 -3.05540 -3.08112 1.09705 -0.95103 -1.01284 -3.11786 1.11725 -1.09769 3.05541 1.00733 3.08112 0.95103 -1.09705 1.01285 -1.11725 3.11786 -1.09769 3.05541 1.00733 3.08112 0.95103 -1.09705 1.01285 -1.11725 3.11786 -0.68427 1.40693 -2.83320 -2.85380 -0.76260 1.28046 1.43617 -2.75581 -0.71276 -0.68427 1.40693 -2.83319 -2.85380 -0.76260 1.28046 1.43617 -2.75581 -0.71275 0.68426 2.83319 -1.40694 -1.43618 0.71275 2.75580 2.85379 -1.28047 0.76259 0.68427 2.83319 -1.40694 -1.43618 0.71275 2.75580 2.85379 -1.28047 0.76259 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000097 0.000024 0.009572 0.002030 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.813679e-06 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 1 1 1 1 2 2 2 2 3 3 4 4 5 5 6 7 7 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 18 18 19 19 20 20 3 9 11 21 4 10 12 22 5 7 6 8 6 13 14 8 15 16 17 23 24 18 25 26 19 27 28 20 29 30 17 31 32 18 33 34 19 35 36 20 37 38 39 40 41 42 43 44 45 46 1.5387 1.5429 1.5429 1.1152 1.5387 1.5429 1.5429 1.1152 1.4243 1.4243 1.4243 1.4243 1.4267 1.5318 1.5318 1.4267 1.5318 1.5318 1.5391 1.1077 1.1093 1.5391 1.1077 1.1093 1.5391 1.1077 1.1093 1.5391 1.1077 1.1093 1.5441 1.1082 1.1119 1.5441 1.1082 1.1119 1.5441 1.1119 1.1082 1.5441 1.1119 1.1082 1.1088 1.1067 1.1088 1.1067 1.1067 1.1088 1.1067 1.1088 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-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 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 3 3 3 9 9 11 4 4 4 10 10 12 1 1 5 2 2 6 3 3 6 4 4 5 3 3 8 4 4 7 1 1 1 17 17 23 2 2 2 18 18 25 1 1 1 19 19 27 2 2 2 20 20 29 5 5 5 17 17 31 6 6 6 18 18 33 7 7 7 19 19 35 8 8 8 20 20 37 9 9 9 13 13 39 10 10 10 14 14 41 11 11 11 15 15 43 12 12 12 16 16 45 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 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 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 9 11 21 11 21 21 10 12 22 12 22 22 5 7 7 6 8 8 6 13 13 5 14 14 8 15 15 7 16 16 17 23 24 23 24 24 18 25 26 25 26 26 19 27 28 27 28 28 20 29 30 29 30 30 17 31 32 31 32 32 18 33 34 33 34 34 19 35 36 35 36 36 20 37 38 37 38 38 13 39 40 39 40 40 14 41 42 41 42 42 15 43 44 43 44 44 16 45 46 45 46 46 111.7654 111.7653 107.4528 112.9826 106.1979 106.1978 111.7653 111.7652 107.4529 112.9827 106.1978 106.1978 120.2133 120.2131 119.5713 120.2132 120.2132 119.5713 120.2144 121.4612 118.2921 120.2143 121.4613 118.2921 120.2144 121.4613 118.292 120.2144 121.4613 118.292 109.0923 109.4742 110.0605 110.7259 110.1846 107.2865 109.0923 109.4742 110.0605 110.7259 110.1847 107.2866 109.0922 109.4742 110.0605 110.7258 110.1847 107.2866 109.0923 109.4742 110.0605 110.7259 110.1847 107.2866 115.2443 109.8708 108.1675 109.2829 108.6513 105.1278 115.2443 109.8707 108.1675 109.2829 108.6513 105.1278 115.2444 108.1675 109.8707 108.6513 109.2829 105.1278 115.2444 108.1675 109.8707 108.6513 109.2829 105.1278 110.6303 108.5241 111.373 109.8555 109.5061 106.8692 110.6303 108.5241 111.373 109.8555 109.5061 106.8691 110.6304 111.373 108.524 109.5061 109.8555 106.8691 110.6303 111.373 108.524 109.5061 109.8555 106.8691 -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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 9 9 11 11 21 21 3 3 3 11 11 11 21 21 21 3 3 3 9 9 9 21 21 21 10 10 12 12 22 22 4 4 4 12 12 12 22 22 22 4 4 4 10 10 10 22 22 22 1 1 7 7 1 1 5 5 2 2 8 8 2 2 6 6 3 3 13 13 3 3 3 6 6 6 4 4 4 5 5 5 3 3 15 15 3 3 3 8 8 8 4 4 4 7 7 7 1 1 1 23 23 23 24 24 24 2 2 2 25 25 25 26 26 26 1 1 1 27 27 27 28 28 28 2 2 2 29 29 29 30 30 30 5 5 5 31 31 31 32 32 32 6 6 6 33 33 33 34 34 34 7 7 7 35 35 35 36 36 36 8 8 8 37 37 37 38 38 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 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 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 3 3 3 3 3 3 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 4 4 4 4 4 4 10 10 10 10 10 10 10 10 10 12 12 12 12 12 12 12 12 12 5 5 5 5 7 7 7 7 6 6 6 6 8 8 8 8 6 6 6 6 13 13 13 13 13 13 14 14 14 14 14 14 8 8 8 8 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 20 17 17 17 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 19 19 19 19 19 19 19 19 19 20 20 20 20 20 20 20 20 5 7 5 7 5 7 17 23 24 17 23 24 17 23 24 19 27 28 19 27 28 19 27 28 6 8 6 8 6 8 18 25 26 18 25 26 18 25 26 20 29 30 20 29 30 20 29 30 6 13 6 13 8 15 8 15 5 14 5 14 7 16 7 16 4 14 4 14 17 31 32 17 31 32 18 33 34 18 33 34 4 16 4 16 19 35 36 19 35 36 20 37 38 20 37 38 13 39 40 13 39 40 13 39 40 14 41 42 14 41 42 14 41 42 15 43 44 15 43 44 15 43 44 16 45 46 16 45 46 16 45 46 9 39 40 9 39 40 9 39 40 10 41 42 10 41 42 10 41 42 11 43 44 11 43 44 11 43 44 12 45 46 12 45 46 12 45 26.404 -154.1473 154.1464 -26.4048 -89.7249 89.7239 -56.0357 -177.3423 64.9691 176.877 55.5704 -62.1182 60.854 -60.4526 -178.1411 56.0364 177.3429 -64.9684 -176.8762 -55.5697 62.1189 -60.8532 60.4533 178.1419 26.4042 -154.1469 154.1466 -26.4045 -89.7246 89.7243 -56.0361 -177.3426 64.9687 176.8766 55.5701 -62.1185 60.8536 -60.4529 -178.1415 56.0362 177.3428 -64.9686 -176.8765 -55.5699 62.1187 -60.8535 60.4531 178.1417 179.4373 -2.6667 -0.015 177.881 -179.4373 2.6667 0.015 -177.8809 179.4375 -2.6663 -0.0149 177.8813 -179.4375 2.6665 0.0149 -177.8811 0.015 -177.947 -177.9468 4.0912 9.1457 133.1065 -112.6475 -172.9192 -48.9583 65.2877 9.1448 133.1056 -112.6484 -172.9199 -48.959 65.2869 -0.0151 177.9468 177.9467 -4.0914 -9.1447 112.6485 -133.1056 172.9201 -65.2867 48.9592 -9.1447 112.6485 -133.1055 172.9201 -65.2867 48.9592 62.9274 -57.6628 -175.0353 -176.5306 62.8791 -54.4933 -58.0016 -178.5919 64.0357 62.9273 -57.663 -175.0354 -176.5307 62.8789 -54.4934 -58.0017 -178.592 64.0356 -62.9271 175.0356 57.6632 176.531 54.4937 -62.8787 58.0019 -64.0354 178.5923 -62.9272 175.0354 57.6631 176.5308 54.4935 -62.8789 58.0017 -64.0356 178.5921 -39.1223 80.6716 -162.2483 -163.3917 -43.5979 73.4822 82.4097 -157.7964 -40.7163 -39.1216 80.6723 -162.2477 -163.391 -43.5971 73.483 82.4105 -157.7956 -40.7156 39.1212 162.2473 -80.6727 -82.4109 40.7152 157.7952 163.3907 -73.4833 43.5968 39.1214 162.2475 -80.6725 -82.4107 40.7154 157.7954 163.3908 -73.4831 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 240.21399999999988 AuxInfo=1/0/N:17,19,18,20,9,11,10,12,13,14,15,16,1,2,5,6,7,8,3,4/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16,17,18)(19,20)/CRV:15.3,16.3,17.3,18.3,19.3,20.3/rA:46CCC3C3C3C3C3C3CCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s4s7;s1;s2;s1;s2;s5;s6;s7;s8;s9s13;s10s14;s11s15;s12s16;s1;s2;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.849681 0.000000 1.516035 4.333931 0.000000 4.333932 1.516034 2.818489 0.000000 2.531125 3.830181 1.406625 2.441479 0.000000 3.830185 2.531121 2.441480 1.406626 1.412894 0.000000 2.531117 3.830180 1.406624 2.441479 2.436940 2.816905 0.000000 3.830178 2.531120 2.441478 1.406625 2.816903 2.436941 1.412893 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6.449871 2.946694 5.067925 4.369838 5.251250 2.597751 3.902365 3.908222 7.557757 1.539076 6.649377 5.315467 6.733568 1.544101 4.412593 5.015888 7.781570 0.000000 6.449869 2.510509 5.067924 2.946692 5.251248 4.369836 3.902364 2.597750 7.557760 3.908223 6.649377 1.539076 6.733566 5.315466 4.412593 1.544101 7.781567 5.015888 5.949259 0.000000 1.115233 6.357582 2.154201 4.846173 3.056427 4.329129 3.056417 4.329122 2.141076 6.975912 2.141075 6.975905 3.370902 5.488300 3.370885 5.488287 2.702290 6.856359 2.702281 6.856349 0.000000 6.357586 1.115233 4.846176 2.154201 4.329129 3.056424 4.329127 3.056422 6.975921 2.141075 6.975911 2.141076 5.488297 3.370894 5.488293 3.370891 6.856359 2.702285 6.856355 2.702284 6.933333 0.000000 2.178800 7.742990 3.504037 6.235875 3.975203 5.392092 4.695405 5.943000 1.107750 8.278399 2.784613 8.663650 3.503847 6.257956 5.035942 7.228123 2.191481 7.734568 4.186507 8.517501 2.465263 8.064248 0.000000 2.187475 6.612727 2.843829 5.185478 3.080865 4.344052 4.007846 5.043996 1.109262 7.211065 2.845809 7.672528 2.767352 5.187364 4.628832 6.377822 2.185720 6.557104 4.262261 7.509010 3.075085 6.742819 1.785453 0.000000 7.742987 2.178801 6.235873 3.504037 5.392089 3.975201 5.942998 4.695405 8.278402 1.107750 8.663650 2.784612 6.257954 3.503847 7.228122 5.035942 7.734562 2.191481 8.517500 4.186509 8.064239 2.465266 9.365501 8.246241 0.000000 6.612714 2.187475 5.185467 2.843824 4.344042 3.080858 5.043986 4.007839 7.211054 1.109262 7.672517 2.845812 5.187357 2.767354 6.377812 4.628829 6.557088 2.185720 7.509000 4.262262 6.742801 3.075085 8.246227 7.392309 1.785453 0.000000 2.178801 7.742986 3.504037 6.235872 4.695404 5.942998 3.975201 5.392089 2.784609 8.663650 1.107750 8.278398 5.035939 7.228121 3.503848 6.257953 4.186510 8.517496 2.191481 7.734565 2.465269 8.064239 2.536792 3.155874 9.702983 8.647086 0.000000 2.187475 6.612711 2.843821 5.185463 4.007832 5.043979 3.080858 4.344042 2.845815 7.672512 1.109262 7.211054 4.628819 6.377803 2.767357 5.187358 4.262261 7.508988 2.185720 6.557097 3.075085 6.742798 3.155892 2.669417 8.647080 7.859509 1.785453 0.000000 7.742985 2.178801 6.235872 3.504036 5.942997 4.695404 5.392089 3.975201 8.663653 2.784611 8.278398 1.107750 7.228121 5.035941 6.257954 3.503848 8.517493 4.186509 7.734566 2.191481 8.064233 2.465268 9.702985 8.647098 2.536793 3.155882 9.365499 8.246229 0.000000 6.612709 2.187475 5.185463 2.843822 5.043980 4.007834 4.344041 3.080857 7.672512 2.845813 7.211053 1.109262 6.377806 4.628825 5.187356 2.767355 7.508984 4.262262 6.557096 2.185720 6.742791 3.075085 8.647078 7.859518 3.155886 2.669419 8.246228 7.392300 1.785453 0.000000 3.866552 5.200511 3.365272 4.139305 2.174513 2.761477 4.559629 4.866977 3.474215 4.972154 5.371977 6.442845 1.108151 2.633729 5.905988 6.370966 2.177698 4.144205 6.121315 7.064169 3.996306 5.695055 4.332605 3.828484 6.009879 4.814506 5.943380 5.663468 7.257471 6.371582 0.000000 3.675820 5.280455 3.233389 4.171738 2.155197 2.848021 4.438923 4.813563 2.957494 5.337877 4.948414 6.650791 1.111861 2.903121 5.726114 6.322995 2.172231 4.317450 5.950109 7.023221 4.255965 5.448871 3.905247 2.776378 6.330221 5.533082 5.547070 4.902921 7.455925 6.851673 1.762763 0.000000 5.200516 3.866544 4.139305 3.365267 2.761479 2.174512 4.866974 4.559624 4.972162 3.474214 6.442844 5.371972 2.633737 1.108152 6.370963 5.905981 4.144214 2.177698 7.064169 6.121304 5.695065 3.996289 6.009888 4.814515 4.332604 3.828487 7.257472 6.371576 5.943374 5.663470 2.482532 2.261032 0.000000 5.280449 3.675828 4.171734 3.233395 2.848015 2.155198 4.813565 4.438929 5.337866 2.957502 6.650786 4.948428 2.903109 1.111861 6.322998 5.726123 4.317433 2.172232 7.023223 5.950118 5.448869 4.255964 6.330208 5.533075 3.905253 2.776390 7.455919 6.851665 5.547084 4.902940 2.261014 3.179669 1.762762 0.000000 3.675830 5.280443 3.233395 4.171730 4.438927 4.813561 2.155196 2.848012 4.948436 6.650782 2.957506 5.337863 5.726121 6.322993 1.111861 2.903104 5.950120 7.023213 2.172232 4.317434 4.255959 5.448856 5.547094 4.902955 7.455913 6.851669 3.905258 2.776398 6.330206 5.533068 6.559272 6.117615 6.710352 6.894601 0.000000 3.866541 5.200516 3.365267 4.139307 4.559626 4.866976 2.174512 2.761480 5.371971 6.442850 3.474214 4.972159 5.905982 6.370966 1.108152 2.633736 6.121300 7.064170 2.177698 4.144212 3.996276 5.695058 5.943370 5.663476 7.257477 6.371590 4.332603 3.828490 6.009885 4.814510 6.524873 6.559263 6.981181 6.710360 1.762762 0.000000 5.280443 3.675830 4.171731 3.233396 4.813563 4.438929 2.848013 2.155197 6.650784 4.948433 5.337864 2.957505 6.322995 5.726124 2.903106 1.111861 7.023211 5.950121 4.317436 2.172232 5.448850 4.255963 7.455913 6.851677 5.547089 4.902948 6.330207 5.533071 3.905256 2.776395 6.710360 6.894601 6.559270 6.117627 3.179650 2.261016 0.000000 5.200515 3.866543 4.139307 3.365267 4.866976 4.559625 2.761481 2.174512 6.442853 5.371972 4.972159 3.474215 6.370964 5.905981 2.633736 1.108152 7.064169 6.121302 4.144211 2.177698 5.695052 3.996284 7.257480 6.371599 5.943372 5.663473 6.009885 4.814512 4.332604 3.828488 6.981183 6.710353 6.524864 6.559270 2.261015 2.482543 1.762762 0.000000 2.707779 6.759195 3.243117 5.381853 3.027262 4.285468 4.590643 5.502264 2.163900 6.890066 4.138927 7.740876 2.185552 4.807341 5.452519 6.932808 1.108779 6.338061 5.049473 8.027372 2.423206 7.318158 2.529701 3.090185 7.987038 6.619158 4.321216 4.739662 8.721592 7.531817 2.414633 3.068081 4.728783 4.488682 6.245900 6.115455 7.053107 7.343690 0.000000 3.488532 7.271535 3.993359 5.963347 3.514274 4.704693 5.415843 6.254228 2.198857 7.351594 4.752266 8.473192 2.179489 4.953511 6.350548 7.753486 1.106683 6.470545 5.985522 8.744694 3.693402 7.603451 2.518879 2.571538 8.405194 7.299059 4.883096 5.002759 9.388672 8.467053 2.599674 2.383575 4.474019 4.827248 6.919787 7.195108 8.093470 8.064003 1.779409 0.000000 6.759210 2.707779 5.381865 3.243123 4.285478 3.027270 5.502275 4.590651 6.890087 2.163900 7.740891 4.138924 4.807351 2.185553 6.932818 5.452524 6.338073 1.108779 8.027384 5.049472 7.318169 2.423201 7.987059 6.619188 2.529699 3.090184 8.721607 7.531832 4.321210 4.739660 4.728778 4.488706 2.414629 3.068080 7.053117 7.343698 6.245903 6.115462 6.883001 6.802047 0.000000 7.271534 3.488531 5.963346 3.993359 4.704692 3.514274 6.254227 5.415843 7.351597 2.198857 8.473192 4.752266 4.953510 2.179489 7.753486 6.350549 6.470540 1.106683 8.744694 5.985522 7.603447 3.693398 8.405196 7.299072 2.518880 2.571538 9.388671 8.467054 4.883097 5.002759 4.474005 4.827266 2.599679 2.383571 8.093470 8.064002 6.919785 7.195110 6.802030 6.873696 1.779408 0.000000 3.488532 7.271532 3.993360 5.963345 5.415843 6.254227 3.514274 4.704691 4.752265 8.473194 2.198857 7.351594 6.350548 7.753486 2.179489 4.953507 5.985523 8.744690 1.106683 6.470540 3.693397 7.603438 4.883097 5.002756 9.388672 8.467066 2.518880 2.571537 8.405193 7.299066 7.195121 6.919769 8.063996 8.093478 2.383569 2.599681 4.827250 4.474010 6.045012 6.898425 8.924320 9.738375 0.000000 2.707781 6.759216 3.243131 5.381873 4.590661 5.502285 3.027275 4.285483 4.138922 7.740904 2.163899 6.890085 5.452534 6.932832 2.185553 4.807352 5.049475 8.027395 1.108779 6.338073 2.423198 7.318171 4.321202 4.739658 8.721619 7.531854 2.529697 3.090184 7.987057 6.619181 6.115487 6.245901 7.343708 7.053138 3.068079 2.414627 4.488694 4.728787 4.838185 6.045010 8.413318 8.924337 1.779408 0.000000 7.271531 3.488532 5.963345 3.993359 6.254227 5.415843 4.704691 3.514274 8.473197 4.752266 7.351595 2.198857 7.753486 6.350548 4.953508 2.179489 8.744688 5.985522 6.470541 1.106683 7.603433 3.693398 9.388674 8.467076 4.883097 5.002758 8.405194 7.299067 2.518880 2.571538 8.063999 8.093477 7.195112 6.919782 4.827248 4.474012 2.383570 2.599680 8.924309 9.738375 6.045009 6.898425 6.873693 6.802039 0.000000 6.759213 2.707780 5.381869 3.243127 5.502280 4.590655 4.285481 3.027272 7.740905 4.138924 6.890083 2.163900 6.932825 5.452527 4.807350 2.185553 8.027390 5.049473 6.338071 1.108779 7.318164 2.423201 8.721620 7.531863 4.321207 4.739660 7.987055 6.619180 2.529698 3.090184 7.343700 7.053130 6.115468 6.245904 4.488691 4.728787 3.068079 2.414628 8.413304 8.924335 4.838183 6.045009 6.802037 6.883011 1.779408 0.000000 0.5163209 0.2954689 0.1936425 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 246 246 246 246 246 MxSgAt= 46 MxSgA2= 46. SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F SDD (6D, 10F) 0.10000e-02 0.10000e-05 F IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F 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= 14878 NPrTT= 74418 LenC2= 13657 LenP2D= 44057. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 9.88D-05 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 245 245 245 245 245 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -776.254949300541 -776.386141235557 -0.131191935016 -776.671045747866 -0.284904512309 -776.671904402024 -0.000858654158 -776.674189309880 -0.002284907856 -776.674264464961 -0.000075155081 -776.674268923790 -0.000004458829 -776.673731238920 0.000537684870 -776.673737351715 -0.000006112795 -776.673737348297 0.000000003417 -776.673737379686 -0.000000031389 -776.673737381187 -0.000000001500 -776.673737381364 -0.000000000178 -776.673737381414 -0.000000000049 -776.673737381469 -0.000000000056 -776.673737381 15 7.730264294737e+02 -5.034348329969e+03 1.868656909308e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 212178 IEndB= 212178 NGot= 402653184 MDV= 402521403 LenX= 402521403 LenY= 402457458 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. 4.87051570e-06 -6.70357523e-06 -6.06575285e-06 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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.011587917 0.000000362 -0.002148103 0.011587759 -0.000000168 0.002147589 -0.004303610 0.000000566 0.001979617 0.004302731 0.000000758 -0.001979297 0.000983205 0.002138241 0.000709834 -0.000982573 0.002136538 -0.000709762 0.000983322 -0.002137071 0.000710050 -0.000982649 -0.002136653 -0.000710040 -0.001164083 0.001346448 0.004066855 0.001163769 0.001346324 -0.004065810 -0.001163706 -0.001346558 0.004066276 0.001164749 -0.001346442 -0.004066241 0.000201478 0.009381558 0.001042079 -0.000201897 0.009382332 -0.001040416 0.000200114 -0.009382234 0.001041046 -0.000201359 -0.009382352 -0.001041553 -0.005341192 0.006465921 -0.000018866 0.005341654 0.006466492 0.000018020 -0.005340846 -0.006466019 -0.000018332 0.005342034 -0.006467152 0.000019286 -0.003291482 0.000000058 -0.005853980 0.003291499 -0.000000014 0.005854082 -0.001978022 -0.001139621 0.001644730 0.001918398 -0.000569997 -0.001466099 0.001978272 -0.001139339 -0.001644713 -0.001918347 -0.000570278 0.001465622 -0.001978439 0.001139342 0.001644999 0.001918305 0.000570118 -0.001465903 0.001977150 0.001139100 -0.001644160 -0.001918341 0.000570356 0.001465560 0.000489289 0.000904023 -0.003092633 0.000056645 0.001479140 0.001417233 -0.000489601 0.000904735 0.003092493 -0.000056260 0.001478038 -0.001418424 0.000056410 -0.001478817 0.001417862 0.000489463 -0.000904766 -0.003092361 -0.000056307 -0.001478954 -0.001417609 -0.000489327 -0.000904458 0.003092736 -0.000683578 -0.002437776 0.000376827 0.000641805 0.001777648 -0.000054302 0.000683903 -0.002437888 -0.000376591 -0.000641673 0.001777512 0.000053796 0.000641417 -0.001777990 -0.000054372 -0.000684114 0.002437913 0.000376653 -0.000641863 -0.001776856 0.000053392 0.000683818 0.002437880 -0.000377067 0.011587917 0.003080878 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -776.679512890532 -776.679565687367 -0.000052796835 -776.679565540923 0.000000146444 -776.679565882741 -0.000000341818 -776.679565887303 -0.000000004562 -776.679565888627 -0.000000001323 -776.679565888690 -0.000000000063 -776.679565888688 0.000000000002 -776.679565889 8 7.723933695760e+02 -5.004706162534e+03 1.854196988011e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 212178 IEndB= 212178 NGot= 402653184 MDV= 402521403 LenX= 402521403 LenY= 402457458 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (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 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 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 -9.890696 -9.890692 -9.888210 -9.888191 -9.888007 -9.887915 -9.887476 -9.887456 -9.885798 -9.885796 -9.885783 -9.885779 -9.883813 -9.883811 -9.883811 -9.883808 -9.880840 -9.880839 -9.880832 -9.880830 -0.781584 -0.752297 -0.730706 -0.712390 -0.708537 -0.664676 -0.658229 -0.652007 -0.645305 -0.605105 -0.574209 -0.561207 -0.540766 -0.531017 -0.523917 -0.498417 -0.495654 -0.463330 -0.462959 -0.432219 -0.418485 -0.411778 -0.395992 -0.395713 -0.381992 -0.381280 -0.372144 -0.369351 -0.365476 -0.351146 -0.347902 -0.347221 -0.342859 -0.330704 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0.000037329 0.000034995 -0.000015488 -0.000037341 -0.000034990 0.000015501 -0.000019004 -0.000042569 0.000012949 0.000037334 -0.000035003 -0.000015471 0.000019024 -0.000042591 -0.000012940 240.21399999999988 AuxInfo=1/0/N:17,19,18,20,9,11,10,12,13,14,15,16,1,2,5,6,7,8,3,4/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16,17,18)(19,20)/CRV:15.3,16.3,17.3,18.3,19.3,20.3/rA:46CCC3C3C3C3C3C3CCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s4s7;s1;s2;s1;s2;s5;s6;s7;s8;s9s13;s10s14;s11s15;s12s16;s1;s2;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2075 CBGUSER 000270342 EM64L-G09RevD.01 17-Mar-2018 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 132 C1[X(C20H26)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 240.21399999999988 0 1 AuxInfo=1/0/N:17,19,18,20,9,11,10,12,13,14,15,16,1,2,5,6,7,8,3,4/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16,17,18)(19,20)/CRV:15.3,16.3,17.3,18.3,19.3,20.3/rA:46CCC3C3C3C3C3C3CCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s4s7;s1;s2;s1;s2;s5;s6;s7;s8;s9s13;s10s14;s11s15;s12s16;s1;s2;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-18003.inp" -scrdir="/scratch/" chk=000270342-Freq.chk nprocshared=4 mem=3GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000270342 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 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 (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| 0.000123 0.000037 0.010612 0.003582 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.081867e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1601.4362438275 252 584 252 73 73 IExCor= 1009 DFT=T Ex=PBE Corr=PBE ExCW=0 ScaHFX= 0.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 46 46 46 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 240.21399999999988 AuxInfo=1/0/N:17,19,18,20,9,11,10,12,13,14,15,16,1,2,5,6,7,8,3,4/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16,17,18)(19,20)/CRV:15.3,16.3,17.3,18.3,19.3,20.3/rA:46CCC3C3C3C3C3C3CCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s4s7;s1;s2;s1;s2;s5;s6;s7;s8;s9s13;s10s14;s11s15;s12s16;s1;s2;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.937520 0.000000 1.538676 4.398861 0.000000 4.398862 1.538675 2.860221 0.000000 2.569396 3.882369 1.424298 2.471703 0.000000 3.882370 2.569394 2.471703 1.424298 1.426704 0.000000 2.569393 3.882370 1.424297 2.471703 2.461610 2.845174 0.000000 3.882369 2.569394 2.471703 1.424298 2.845174 2.461611 1.426705 0.000000 1.542880 6.667732 2.551193 5.176282 2.898908 4.303761 3.838904 4.985567 0.000000 6.667728 1.542880 5.176278 2.551192 4.303758 2.898906 4.985565 3.838903 7.197510 0.000000 1.542880 6.667727 2.551192 5.176278 3.838902 4.985563 2.898906 4.303759 2.572914 7.643559 0.000000 6.667725 1.542881 5.176276 2.551191 4.985563 3.838902 4.303758 2.898905 7.643561 2.572915 7.197507 0.000000 2.998807 5.107150 2.579267 3.858310 1.531842 2.540417 3.878469 4.376038 2.535280 5.192595 4.438208 6.342955 0.000000 5.107151 2.998806 3.858310 2.579267 2.540417 1.531841 4.376038 3.878470 5.192597 2.535281 6.342955 4.438209 2.880398 0.000000 2.998805 5.107149 2.579268 3.858309 3.878470 4.376038 1.531842 2.540416 4.438211 6.342957 2.535282 5.192594 5.157596 5.907409 0.000000 5.107147 2.998807 3.858309 2.579267 4.376037 3.878470 2.540416 1.531841 6.342959 4.438211 5.192594 2.535281 5.907409 5.157596 2.880395 0.000000 2.510510 6.449868 2.946690 5.067921 2.597748 3.902362 4.369833 5.251246 1.539076 6.649373 3.908223 7.557749 1.544100 4.412592 5.315464 6.733562 0.000000 6.449871 2.510509 5.067923 2.946692 3.902364 2.597750 5.251248 4.369836 6.649380 1.539076 7.557753 3.908223 4.412594 1.544101 6.733565 5.315465 5.949258 0.000000 2.510508 6.449871 2.946694 5.067924 4.369838 5.251250 2.597751 3.902365 3.908221 7.557757 1.539075 6.649377 5.315467 6.733567 1.544101 4.412593 5.015888 7.781570 0.000000 6.449869 2.510510 5.067923 2.946692 5.251248 4.369836 3.902365 2.597750 7.557759 3.908223 6.649377 1.539075 6.733566 5.315465 4.412592 1.544101 7.781567 5.015888 5.949259 0.000000 1.115234 6.357583 2.154201 4.846173 3.056427 4.329130 3.056417 4.329123 2.141075 6.975913 2.141076 6.975906 3.370901 5.488300 3.370886 5.488287 2.702290 6.856360 2.702282 6.856350 0.000000 6.357586 1.115233 4.846175 2.154201 4.329129 3.056424 4.329128 3.056422 6.975921 2.141075 6.975912 2.141075 5.488297 3.370893 5.488293 3.370891 6.856358 2.702285 6.856355 2.702284 6.933333 0.000000 2.178801 7.742990 3.504037 6.235875 3.975203 5.392092 4.695405 5.943001 1.107750 8.278400 2.784613 8.663650 3.503847 6.257956 5.035942 7.228123 2.191482 7.734568 4.186507 8.517501 2.465263 8.064248 0.000000 2.187476 6.612728 2.843830 5.185479 3.080865 4.344052 4.007846 5.043997 1.109263 7.211066 2.845809 7.672528 2.767352 5.187364 4.628833 6.377822 2.185720 6.557105 4.262261 7.509010 3.075086 6.742819 1.785453 0.000000 7.742987 2.178800 6.235872 3.504036 5.392089 3.975201 5.942998 4.695404 8.278401 1.107749 8.663650 2.784612 6.257954 3.503847 7.228121 5.035942 7.734561 2.191481 8.517500 4.186509 8.064239 2.465266 9.365501 8.246241 0.000000 6.612714 2.187475 5.185467 2.843825 4.344043 3.080859 5.043986 4.007839 7.211054 1.109262 7.672517 2.845813 5.187357 2.767354 6.377812 4.628829 6.557088 2.185721 7.509000 4.262263 6.742801 3.075085 8.246227 7.392310 1.785452 0.000000 2.178801 7.742986 3.504036 6.235872 4.695404 5.942997 3.975200 5.392089 2.784608 8.663650 1.107749 8.278397 5.035939 7.228120 3.503848 6.257953 4.186510 8.517496 2.191480 7.734565 2.465269 8.064239 2.536792 3.155875 9.702983 8.647085 0.000000 2.187475 6.612711 2.843821 5.185464 4.007832 5.043979 3.080858 4.344042 2.845815 7.672512 1.109262 7.211054 4.628819 6.377803 2.767357 5.187357 4.262262 7.508988 2.185720 6.557096 3.075085 6.742799 3.155892 2.669418 8.647080 7.859509 1.785453 0.000000 7.742986 2.178802 6.235872 3.504037 5.942998 4.695404 5.392090 3.975201 8.663653 2.784611 8.278399 1.107750 7.228122 5.035941 6.257954 3.503849 8.517493 4.186510 7.734566 2.191482 8.064234 2.465268 9.702985 8.647099 2.536793 3.155883 9.365499 8.246230 0.000000 6.612709 2.187475 5.185462 2.843821 5.043980 4.007835 4.344041 3.080857 7.672512 2.845813 7.211053 1.109263 6.377806 4.628824 5.187356 2.767355 7.508984 4.262262 6.557096 2.185721 6.742791 3.075085 8.647078 7.859519 3.155886 2.669419 8.246227 7.392300 1.785454 0.000000 3.866552 5.200511 3.365271 4.139304 2.174513 2.761476 4.559628 4.866977 3.474215 4.972153 5.371977 6.442844 1.108151 2.633728 5.905988 6.370965 2.177698 4.144204 6.121314 7.064168 3.996306 5.695054 4.332605 3.828484 6.009878 4.814506 5.943379 5.663468 7.257471 6.371581 0.000000 3.675821 5.280455 3.233389 4.171738 2.155198 2.848021 4.438923 4.813564 2.957495 5.337878 4.948414 6.650791 1.111862 2.903121 5.726114 6.322995 2.172232 4.317450 5.950109 7.023221 4.255965 5.448871 3.905248 2.776379 6.330221 5.533082 5.547070 4.902921 7.455925 6.851673 1.762762 0.000000 5.200516 3.866545 4.139305 3.365268 2.761479 2.174512 4.866974 4.559625 4.972162 3.474215 6.442844 5.371973 2.633736 1.108152 6.370963 5.905982 4.144213 2.177698 7.064169 6.121305 5.695065 3.996289 6.009888 4.814515 4.332604 3.828487 7.257472 6.371576 5.943375 5.663471 2.482531 2.261031 0.000000 5.280450 3.675828 4.171734 3.233396 2.848016 2.155198 4.813565 4.438930 5.337866 2.957502 6.650786 4.948428 2.903109 1.111861 6.322998 5.726123 4.317433 2.172231 7.023223 5.950119 5.448869 4.255964 6.330209 5.533075 3.905253 2.776390 7.455918 6.851665 5.547084 4.902941 2.261013 3.179669 1.762762 0.000000 3.675830 5.280443 3.233395 4.171730 4.438927 4.813561 2.155197 2.848012 4.948435 6.650782 2.957507 5.337863 5.726121 6.322992 1.111861 2.903104 5.950120 7.023213 2.172232 4.317434 4.255960 5.448856 5.547094 4.902955 7.455913 6.851669 3.905258 2.776398 6.330207 5.533068 6.559271 6.117615 6.710352 6.894601 0.000000 3.866541 5.200516 3.365267 4.139307 4.559626 4.866977 2.174513 2.761481 5.371971 6.442850 3.474214 4.972159 5.905982 6.370966 1.108152 2.633736 6.121300 7.064171 2.177698 4.144212 3.996277 5.695059 5.943370 5.663477 7.257477 6.371590 4.332602 3.828490 6.009885 4.814510 6.524873 6.559264 6.981182 6.710361 1.762762 0.000000 5.280443 3.675831 4.171731 3.233396 4.813563 4.438929 2.848014 2.155197 6.650784 4.948433 5.337865 2.957505 6.322995 5.726124 2.903106 1.111861 7.023211 5.950121 4.317436 2.172232 5.448851 4.255963 7.455913 6.851678 5.547089 4.902949 6.330207 5.533071 3.905257 2.776395 6.710360 6.894601 6.559270 6.117628 3.179650 2.261017 0.000000 5.200515 3.866543 4.139307 3.365266 4.866975 4.559625 2.761481 2.174512 6.442853 5.371972 4.972160 3.474214 6.370964 5.905981 2.633736 1.108151 7.064169 6.121302 4.144212 2.177697 5.695053 3.996284 7.257480 6.371600 5.943372 5.663473 6.009885 4.814512 4.332604 3.828488 6.981182 6.710353 6.524864 6.559270 2.261015 2.482544 1.762762 0.000000 2.707780 6.759196 3.243118 5.381854 3.027263 4.285468 4.590642 5.502265 2.163900 6.890066 4.138927 7.740877 2.185552 4.807341 5.452519 6.932807 1.108780 6.338061 5.049473 8.027372 2.423206 7.318158 2.529702 3.090185 7.987038 6.619158 4.321216 4.739662 8.721592 7.531817 2.414633 3.068082 4.728783 4.488683 6.245900 6.115456 7.053107 7.343690 0.000000 3.488532 7.271535 3.993359 5.963347 3.514275 4.704693 5.415843 6.254229 2.198857 7.351595 4.752266 8.473192 2.179490 4.953511 6.350548 7.753486 1.106683 6.470545 5.985521 8.744694 3.693401 7.603451 2.518880 2.571538 8.405194 7.299059 4.883096 5.002759 9.388672 8.467053 2.599675 2.383575 4.474019 4.827248 6.919787 7.195109 8.093471 8.064003 1.779409 0.000000 6.759210 2.707778 5.381865 3.243124 4.285478 3.027270 5.502275 4.590650 6.890086 2.163900 7.740891 4.138924 4.807351 2.185553 6.932818 5.452524 6.338072 1.108779 8.027384 5.049472 7.318169 2.423201 7.987059 6.619188 2.529699 3.090184 8.721606 7.531832 4.321210 4.739660 4.728778 4.488705 2.414630 3.068079 7.053116 7.343699 6.245903 6.115462 6.883001 6.802047 0.000000 7.271535 3.488531 5.963346 3.993360 4.704692 3.514274 6.254228 5.415843 7.351597 2.198857 8.473192 4.752266 4.953510 2.179490 7.753486 6.350549 6.470540 1.106682 8.744694 5.985522 7.603447 3.693398 8.405197 7.299073 2.518879 2.571538 9.388671 8.467055 4.883096 5.002759 4.474005 4.827266 2.599680 2.383570 8.093470 8.064002 6.919786 7.195110 6.802030 6.873697 1.779408 0.000000 3.488531 7.271532 3.993360 5.963344 5.415843 6.254227 3.514273 4.704691 4.752264 8.473194 2.198856 7.351594 6.350548 7.753485 2.179489 4.953507 5.985523 8.744690 1.106683 6.470540 3.693397 7.603438 4.883096 5.002756 9.388672 8.467066 2.518880 2.571537 8.405194 7.299065 7.195120 6.919769 8.063996 8.093478 2.383569 2.599680 4.827250 4.474010 6.045012 6.898425 8.924320 9.738375 0.000000 2.707781 6.759216 3.243132 5.381873 4.590661 5.502286 3.027275 4.285484 4.138922 7.740905 2.163900 6.890085 5.452535 6.932832 2.185554 4.807351 5.049476 8.027396 1.108779 6.338073 2.423199 7.318171 4.321202 4.739659 8.721619 7.531854 2.529696 3.090184 7.987058 6.619181 6.115487 6.245902 7.343708 7.053139 3.068079 2.414627 4.488694 4.728787 4.838186 6.045010 8.413318 8.924337 1.779408 0.000000 7.271531 3.488532 5.963344 3.993359 6.254226 5.415843 4.704691 3.514273 8.473196 4.752266 7.351595 2.198856 7.753485 6.350548 4.953508 2.179490 8.744688 5.985522 6.470541 1.106683 7.603433 3.693398 9.388674 8.467076 4.883096 5.002758 8.405193 7.299067 2.518880 2.571538 8.063998 8.093477 7.195112 6.919782 4.827248 4.474012 2.383570 2.599680 8.924309 9.738375 6.045009 6.898425 6.873693 6.802039 0.000000 6.759212 2.707779 5.381868 3.243126 5.502279 4.590654 4.285481 3.027271 7.740904 4.138924 6.890083 2.163899 6.932824 5.452526 4.807350 2.185553 8.027389 5.049473 6.338071 1.108779 7.318164 2.423200 8.721620 7.531862 4.321207 4.739660 7.987054 6.619180 2.529699 3.090184 7.343698 7.053130 6.115468 6.245903 4.488691 4.728787 3.068079 2.414628 8.413303 8.924334 4.838182 6.045009 6.802037 6.883010 1.779408 0.000000 C20H26 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 0 240.21399999999988 AuxInfo=1/0/N:17,19,18,20,9,11,10,12,13,14,15,16,1,2,5,6,7,8,3,4/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16,17,18)(19,20)/CRV:15.3,16.3,17.3,18.3,19.3,20.3/rA:46CCC3C3C3C3C3C3CCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s4s7;s1;s2;s1;s2;s5;s6;s7;s8;s9s13;s10s14;s11s15;s12s16;s1;s2;s9;s9;s10;s10;s11;s11;s12;s12;s13;s13;s14;s14;s15;s15;s16;s16;s17;s17;s18;s18;s19;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5163210 0.2954689 0.1936425 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= 14878 NPrTT= 74418 LenC2= 13657 LenP2D= 44057. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 252 RedAO= T EigKep= 9.88D-05 NBF= 252 NBsUse= 252 1.00D-06 EigRej= -1.00D+00 NBFU= 252 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 245 245 245 245 245 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 0 1 -776.281869556883 -776.408533235303 -0.126663678419 -776.676774976275 -0.268241740973 -776.677366068055 -0.000591091779 -776.679661983162 -0.002295915107 -776.679738592550 -0.000076609389 -776.679743044186 -0.000004451636 -776.679558100731 0.000184943455 -776.679564549290 -0.000006448559 -776.679564537163 0.000000012127 -776.679564565740 -0.000000028577 -776.679564566235 -0.000000000495 -776.679564566349 -0.000000000114 -776.679564566373 -0.000000000024 -776.679564566489 -0.000000000116 -776.679564566 15 7.723933708981e+02 -5.004706174605e+03 1.854196995313e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 212602 IEndB= 212602 NGot= 402653184 MDV= 402520979 LenX= 402520979 LenY= 402457034 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 46. Will process 47 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 402652468 using IRadAn= 2. Generate precomputed XC quadrature information. Solving linear equations simultaneously, MaxMat= 0. FoFJK: IHMeth= 1 ICntrl= 500 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 840000000 NMat= 141 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 2. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 141 NMatS0= 141 NMatT0= 0 NMatD0= 141 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 1.31D-14 1.00D-09 XBig12= 3.22D+02 9.42D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 1.31D-14 1.00D-09 XBig12= 8.40D+01 2.60D+00. 138 vectors produced by pass 2 Test12= 1.31D-14 1.00D-09 XBig12= 1.46D-01 4.23D-02. 138 vectors produced by pass 3 Test12= 1.31D-14 1.00D-09 XBig12= 3.17D-05 8.36D-04. 68 vectors produced by pass 4 Test12= 1.31D-14 1.00D-09 XBig12= 3.12D-09 6.19D-06. 3 vectors produced by pass 5 Test12= 1.31D-14 1.00D-09 XBig12= 1.70D-13 5.38D-08. 2 vectors produced by pass 6 Test12= 1.31D-14 1.00D-09 XBig12= 4.87D-16 3.39D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 625 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 205.29 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 250.291 0.000 229.614 1.786 0.000 135.971 390.711 0.000 395.355 9.796 0.000 256.437 (Enter /mnt/data/applications/G09/g09/l716.exe) PT7584S 2018-03-17T05:04:09.000+01:00 -9.89070 -9.89069 -9.88821 -9.88819 -9.88801 -9.88791 -9.88748 -9.88746 -9.88580 -9.88580 -9.88578 -9.88578 -9.88381 -9.88381 -9.88381 -9.88381 -9.88084 -9.88084 -9.88083 -9.88083 -0.78158 -0.75230 -0.73071 -0.71239 -0.70854 -0.66468 -0.65823 -0.65201 -0.64530 -0.60511 -0.57421 -0.56121 -0.54077 -0.53102 -0.52392 -0.49842 -0.49565 -0.46333 -0.46296 -0.43222 -0.41849 -0.41178 -0.39599 -0.39571 -0.38199 -0.38128 -0.37214 -0.36935 -0.36548 -0.35115 -0.34790 -0.34722 -0.34286 -0.33070 -0.32127 -0.31700 -0.31333 -0.30797 -0.30256 -0.30106 -0.28697 -0.28592 -0.27621 -0.27570 -0.27540 -0.27135 -0.26949 -0.25655 -0.25318 -0.23732 -0.23252 -0.18265 -0.18079 -0.01392 -0.01028 0.08667 0.08876 0.08909 0.09395 0.09625 0.10990 0.11019 0.11346 0.12705 0.12779 0.12943 0.13340 0.13576 0.14520 0.14538 0.14942 0.15384 0.15848 0.16598 0.16707 0.17338 0.18205 0.18215 0.18438 0.18709 0.19157 0.19597 0.19678 0.19719 0.20114 0.20390 0.20837 0.21410 0.22151 0.22420 0.23265 0.23832 0.23910 0.24119 0.24896 0.25722 0.26045 0.26630 0.27140 0.27508 0.27511 0.28018 0.28763 0.28885 0.29377 0.31824 0.31862 0.31887 0.33456 0.33630 0.33768 0.34212 0.34339 0.34533 0.36112 0.36458 0.37355 0.37828 0.38504 0.38753 0.39805 0.40601 0.41301 0.41344 0.41822 0.42010 0.42460 0.43823 0.45546 0.45957 0.46635 0.47086 0.47693 0.49022 0.50474 0.50529 0.51050 0.51915 0.51962 0.52681 0.53114 0.54192 0.54354 0.54484 0.55065 0.55797 0.56590 0.58571 0.58733 0.61614 0.63311 0.64901 0.65985 0.66488 0.66805 0.68262 0.69706 0.70445 0.73065 0.75247 0.75890 0.78787 0.85046 0.87422 0.88998 0.89605 0.90044 0.91808 0.92745 0.94155 0.96479 0.97108 0.97747 0.98509 1.00722 1.00825 1.02563 1.05279 1.06661 1.06741 1.07097 1.07193 1.08231 1.10982 1.11913 1.13212 1.13265 1.16134 1.16308 1.17539 1.18515 1.18746 1.20260 1.21719 1.21827 1.24993 1.27101 1.27571 1.28037 1.29104 1.33675 1.34007 1.34325 1.35687 1.37272 1.39474 1.45772 1.47328 1.50971 1.52638 1.54706 1.55883 22.36541 22.54988 22.56440 22.56851 22.59736 22.62476 22.65652 22.65664 22.67544 22.68144 22.69334 22.69589 22.70924 22.71220 22.71426 22.71891 22.75023 22.81094 22.85084 22.92729 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 C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H -0.108549 -0.108550 -0.067382 -0.067382 0.148944 0.148945 0.148946 0.148945 -0.445457 -0.445458 -0.445457 -0.445457 -0.517470 -0.517471 -0.517469 -0.517469 -0.449225 -0.449227 -0.449227 -0.449227 0.203301 0.203302 0.202102 0.200871 0.202103 0.200872 0.202103 0.200872 0.202102 0.200871 0.221105 0.215424 0.221104 0.215424 0.215425 0.221104 0.215424 0.221104 0.201201 0.208820 0.201201 0.208820 0.208821 0.201202 0.208820 0.201201 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 C C C C C C C C C C C C C C C C C C C C 0.094752 0.094752 -0.067382 -0.067382 0.148944 0.148945 0.148946 0.148945 -0.042484 -0.042484 -0.042483 -0.042484 -0.080941 -0.080942 -0.080941 -0.080941 -0.039204 -0.039205 -0.039205 -0.039205 0.00000 -9.05381714e-08 2.30777911e-06 -1.28648883e-06 2.50290849e+02 4.49328197e-06 2.29613955e+02 1.78563534e+00 7.53695897e-05 1.35970758e+02 -21.7012 -13.3586 -9.9697 -0.0007 -0.0007 0.0002 40.4624 68.4355 86.8149 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 40.4624 68.4355 86.8013 127.2404 131.1494 157.2221 205.7728 219.1855 244.7613 276.6822 280.8372 292.8170 328.9619 331.7554 356.2479 375.1053 381.9746 394.8330 435.1407 454.1955 473.3392 484.0176 492.5074 511.5338 549.5364 562.8724 586.7317 596.2011 646.3374 684.7751 736.4339 740.4585 803.2492 833.0566 839.4854 841.1446 859.2770 884.3864 890.2012 891.1390 892.5808 916.1963 925.7923 934.4386 938.7191 978.1569 987.2918 1019.7767 1034.1433 1035.5927 1062.4200 1083.1044 1084.4948 1085.9241 1101.4263 1117.0333 1119.0028 1126.8291 1131.8116 1141.1607 1141.2397 1148.3166 1152.1304 1178.7923 1187.7667 1197.1466 1222.1262 1250.1650 1251.3494 1251.4874 1265.3627 1269.8677 1287.1707 1290.8506 1297.8236 1307.8089 1317.7773 1319.4923 1328.8077 1329.3449 1332.2763 1333.5860 1337.8712 1345.1736 1346.2150 1346.4190 1351.7711 1354.7815 1360.2584 1367.2283 1411.2160 1415.0068 1443.9344 1456.0564 1458.9567 1460.4890 1462.2597 1466.9895 1468.2278 1469.4339 1471.6418 1471.8837 1473.0079 1474.3605 1562.6397 1577.1960 2904.5942 2904.7178 2939.8973 2940.2059 2940.2892 2940.4528 2966.4036 2966.4286 2970.6381 2970.8935 2970.9442 2971.6668 2972.1938 2973.2097 2995.1637 2995.7013 3001.9246 3002.5410 3024.6267 3024.6297 3029.9239 3030.7306 3037.0798 3037.2704 3040.0329 3040.1824 3.1808 2.7574 2.3022 2.3549 2.2038 3.0856 2.3381 3.8956 1.8418 2.1801 2.8811 1.7820 3.1292 2.8734 2.9218 3.5219 4.3497 2.7131 3.7745 3.7800 3.8021 3.1637 3.1608 1.9638 2.4756 3.5088 2.3541 2.4007 5.4992 2.5107 3.5825 4.0468 2.2790 1.6625 1.8509 1.4795 1.5070 1.5969 1.8310 3.0061 2.8497 2.8509 2.3844 2.5964 2.4196 1.8163 1.6090 1.9180 2.5386 2.0508 2.6045 1.7677 1.9453 2.3054 2.1174 1.9103 1.3301 1.4385 2.1299 1.6224 1.5448 1.4557 1.2647 1.4388 1.4293 1.6580 1.6727 1.8114 1.2192 1.2475 1.2374 1.4000 1.6591 2.3130 1.2180 1.4088 1.5686 1.5228 1.3987 1.4251 1.5842 1.6918 1.5173 1.6016 1.4819 1.5976 1.4927 1.5213 1.8951 2.2838 4.3316 3.4153 1.1104 1.2532 1.1090 1.0875 1.0935 1.1288 1.0858 1.0954 1.0897 1.0932 1.0958 1.0935 8.4430 8.1640 1.0809 1.0809 1.0647 1.0659 1.0646 1.0659 1.0597 1.0597 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