Gaussian 09 GINC-KIMIK2069 CBGUSER 000219124 EM64L-G09RevD.01 28-Nov-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInputnosymm 344.27699999999976 0 1 AuxInfo=1/0/N:27,28,23,25,24,26,19,20,21,22,15,17,16,18,11,12,13,14,7,8,9,10,3,4,5,6,1,2/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.3,22.3,23.3,24.3,25.3,26.3/rA:50OOC3C3C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1s3;s2s4;s1;s2s7;s3;s4;s3;s4;s5;s6;s9;s10;s9;s10;s11;s12;s13s19;s14s20;s15;s16;s17;s18;s23s25;s24s26;s7;s7;s8;s8;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-27297.inp" -scrdir="/scratch/" chk=000219124.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 000219124 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 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 2 3 3 3 4 4 4 5 6 7 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 22 23 23 24 24 25 25 26 26 27 28 5 7 6 8 5 9 11 6 10 12 13 14 8 29 30 31 32 15 17 16 18 19 33 20 34 21 35 22 36 23 37 24 38 25 39 26 40 21 41 22 42 43 44 27 45 28 46 27 47 28 48 49 50 1.3777 1.459 1.3777 1.4591 1.4197 1.4763 1.399 1.4197 1.4763 1.399 1.3995 1.3994 1.5268 1.1091 1.1018 1.1091 1.1018 1.4053 1.4049 1.4053 1.4049 1.4006 1.0915 1.4006 1.0915 1.3991 1.0847 1.3992 1.0847 1.3962 1.0903 1.3962 1.0903 1.3972 1.0882 1.3972 1.0882 1.3951 1.0873 1.3951 1.0873 1.09 1.09 1.399 1.0886 1.399 1.0886 1.3983 1.0885 1.3983 1.0885 1.0876 1.0876 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 5 6 5 5 9 6 6 10 1 1 3 2 2 4 1 1 1 8 8 29 2 2 2 7 7 31 3 3 15 4 4 16 3 3 19 4 4 20 5 5 21 6 6 22 9 9 23 10 10 24 9 9 25 10 10 26 11 11 21 12 12 22 13 13 19 14 14 20 15 15 27 16 16 28 17 17 27 18 18 28 23 23 25 24 24 26 1 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 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 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 7 8 9 11 11 10 12 12 3 13 13 4 14 14 8 29 30 29 30 30 7 31 32 31 32 32 15 17 17 16 18 18 19 33 33 20 34 34 21 35 35 22 36 36 23 37 37 24 38 38 25 39 39 26 40 40 21 41 41 22 42 42 19 43 43 20 44 44 27 45 45 28 46 46 27 47 47 28 48 48 25 49 49 26 50 50 118.3651 118.3631 121.8452 117.6295 120.5249 121.8443 117.6292 120.5261 113.6682 124.477 121.8544 113.6676 124.4766 121.8554 102.384 109.5416 108.9348 111.3313 113.2975 110.9591 102.383 109.5374 108.9375 111.3326 113.2961 110.9614 120.3966 120.0463 119.554 120.3965 120.046 119.5543 121.1387 119.2839 119.5765 121.1381 119.2847 119.5763 118.7781 121.5754 119.6451 118.7771 121.578 119.6435 120.0939 119.506 120.3971 120.0935 119.5064 120.3971 120.033 119.9924 119.972 120.0328 119.9927 119.9719 120.0362 119.752 120.2118 120.0367 119.7511 120.2121 120.5601 119.3868 120.0531 120.5604 119.3854 120.0541 120.2217 119.8237 119.9546 120.2218 119.8234 119.9547 120.2591 119.7897 119.9512 120.2591 119.7897 119.9512 119.8351 120.0724 120.0924 119.8353 120.0724 120.0923 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 7 7 5 5 5 8 8 6 6 6 9 9 11 11 5 5 11 11 5 5 9 9 10 10 12 12 6 6 12 12 6 6 10 10 1 1 3 3 2 2 4 4 1 1 1 29 29 29 30 30 30 3 3 17 17 3 3 15 15 4 4 18 18 4 4 16 16 3 3 33 33 4 4 34 34 5 5 35 35 6 6 36 36 9 9 37 37 10 10 38 38 9 9 39 39 10 10 40 40 11 11 41 41 12 12 42 42 15 15 45 45 16 16 46 46 17 17 47 47 18 18 48 48 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 5 5 7 7 7 6 6 8 8 8 5 5 5 5 9 9 9 9 11 11 11 11 6 6 6 6 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 8 8 8 8 8 8 8 8 8 15 15 15 15 17 17 17 17 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 21 21 21 21 22 22 22 22 27 27 27 27 28 28 28 28 27 27 27 27 28 28 28 28 3 13 8 29 30 4 14 7 31 32 1 13 1 13 15 17 15 17 19 33 19 33 2 14 2 14 16 18 16 18 20 34 20 34 21 35 21 35 22 36 22 36 2 31 32 2 31 32 2 31 32 23 37 23 37 25 39 25 39 24 38 24 38 26 40 26 40 21 41 21 41 22 42 22 42 19 43 19 43 20 44 20 44 27 45 27 45 28 46 28 46 27 47 27 47 28 48 28 48 13 43 13 43 14 44 14 44 25 49 25 49 26 50 26 50 23 49 23 49 24 50 24 50 -175.6188 4.608 -179.7891 -61.5519 59.9846 -175.5942 4.6346 -179.832 -61.5957 59.9426 0.6625 -179.5576 -179.0974 0.6825 -50.0882 130.5559 129.6649 -49.6911 -0.434 179.2227 179.8028 -0.5404 0.6633 -179.5589 -179.0971 0.6808 -50.0803 130.5637 129.6732 -49.6828 -0.4331 179.2236 179.8032 -0.5401 179.2567 -0.3033 -0.4987 179.9413 179.2553 -0.3043 -0.4979 179.9426 122.7754 5.8188 -120.0763 5.8139 -111.1427 122.9622 -120.0782 122.9652 -2.9299 -178.7209 1.9081 0.6382 -178.7328 178.8754 -1.7146 -0.486 178.9241 -178.723 1.9055 0.6362 -178.7353 178.8778 -1.7115 -0.4837 178.927 0.0156 179.9198 -179.6402 0.2641 0.0165 179.9212 -179.6392 0.2655 0.0558 -179.8269 179.6245 -0.2582 0.0568 -179.8249 179.625 -0.2566 -0.2938 179.6712 179.0716 -0.9635 -0.2938 179.6704 179.0721 -0.9637 -0.011 179.9341 -179.4212 0.5239 -0.0117 179.9342 -179.4226 0.5234 0.1827 -179.9355 -179.7211 0.1607 0.1808 -179.9383 -179.7235 0.1574 -0.2061 179.9043 179.829 -0.0606 -0.2044 179.9066 179.8314 -0.0577 0.3588 -179.7516 -179.5863 0.3033 0.3575 -179.7535 -179.5884 0.3006 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 272 300 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= 22578 NPrTT= 116094 LenC2= 18338 LenP2D= 55508. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 324 RedAO= T EigKep= 6.30D-04 NBF= 324 NBsUse= 324 1.00D-06 EigRej= -1.00D+00 NBFU= 324 Using GEDIIS/GDIIS optimizer. local minimum Step number 18 out of a maximum of 272 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00300 0.00597 0.00874 0.00944 0.01110 0.01683 0.01701 0.01759 0.01866 0.01910 0.01966 0.01980 0.02023 0.02031 0.02056 0.02059 0.02072 0.02083 0.02084 0.02087 0.02092 0.02095 0.02096 0.02099 0.02102 0.02104 0.02106 0.02109 0.02112 0.02114 0.02115 0.02117 0.02118 0.02119 0.02120 0.02123 0.02123 0.02124 0.02131 0.02133 0.02162 0.02534 0.02597 0.05419 0.05884 0.05921 0.06191 0.10875 0.10894 0.13477 0.13640 0.14957 0.15870 0.15993 0.15994 0.15995 0.15996 0.15999 0.15999 0.16000 0.16000 0.16000 0.16000 0.16002 0.16004 0.16009 0.16023 0.16086 0.16158 0.20544 0.21990 0.22000 0.22001 0.22004 0.22028 0.22054 0.22300 0.22478 0.22690 0.23345 0.23517 0.24154 0.24496 0.24980 0.25003 0.25081 0.25285 0.26252 0.27531 0.29237 0.32087 0.32695 0.33223 0.33467 0.33484 0.33797 0.34643 0.34644 0.34800 0.34803 0.34812 0.34835 0.34974 0.34979 0.34986 0.35005 0.35021 0.35082 0.35092 0.35093 0.35122 0.35143 0.35241 0.35448 0.35783 0.37036 0.37102 0.37980 0.40906 0.41493 0.41536 0.41610 0.41646 0.41883 0.42012 0.43874 0.44587 0.45004 0.45080 0.45233 0.45384 0.45453 0.45657 0.45745 0.45799 0.45914 0.45946 0.46069 0.46126 0.46177 0.47416 0.49359 0.50118 0.53593 RFO step: Lambda=-2.70903423D-08. 1 2 0.00094865 0.00000024 0.00000008 0.00000000 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 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 2.65900 2.77401 2.65889 2.77329 2.70632 2.82356 2.68324 2.70649 2.82354 2.68331 2.67629 2.67645 2.87214 2.09344 2.09760 2.09348 2.09766 2.68855 2.69027 2.68857 2.69028 2.66783 2.07036 2.66788 2.07040 2.66851 2.06632 2.66847 2.06671 2.66659 2.06538 2.66661 2.06536 2.66724 2.07162 2.66725 2.07161 2.66558 2.06886 2.66533 2.06885 2.07020 2.07023 2.67273 2.07109 2.67276 2.07110 2.67198 2.07116 2.67201 2.07115 2.07078 2.07076 2.06445 2.06310 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0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00002 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00035 -0.00054 0.00021 0.00019 0.00017 -0.00036 -0.00031 0.00018 0.00016 0.00014 -0.00010 0.00009 -0.00021 -0.00002 -0.00040 -0.00022 -0.00029 -0.00011 0.00007 0.00004 -0.00003 -0.00007 0.00007 0.00002 0.00011 0.00006 0.00021 0.00008 0.00017 0.00004 -0.00005 -0.00003 -0.00001 0.00001 0.00015 0.00005 -0.00005 -0.00015 -0.00009 -0.00011 -0.00004 -0.00006 -0.00017 -0.00017 -0.00015 -0.00016 -0.00017 -0.00014 -0.00015 -0.00016 -0.00013 0.00008 0.00005 -0.00010 -0.00013 -0.00004 -0.00010 0.00013 0.00007 -0.00007 -0.00006 0.00006 0.00007 0.00008 0.00004 -0.00005 -0.00008 -0.00006 -0.00003 -0.00002 0.00000 0.00003 0.00002 0.00000 0.00000 0.00006 -0.00003 0.00016 0.00007 0.00001 -0.00001 0.00003 0.00001 0.00000 -0.00001 0.00004 0.00002 -0.00002 -0.00002 -0.00003 -0.00003 -0.00006 -0.00004 -0.00001 0.00001 0.00000 0.00000 0.00003 0.00003 -0.00001 0.00008 -0.00004 0.00005 0.00000 0.00001 0.00000 0.00002 0.00006 0.00001 0.00008 0.00003 -0.00003 0.00002 -0.00003 0.00002 -0.00003 0.00002 -0.00005 0.00000 0.00004 0.00000 0.00004 0.00000 2.65896 2.77396 2.65887 2.77325 2.70634 2.82359 2.68322 2.70646 2.82353 2.68329 2.67629 2.67646 2.87217 2.09344 2.09760 2.09348 2.09767 2.68857 2.69026 2.68856 2.69027 2.66782 2.07036 2.66788 2.07040 2.66850 2.06632 2.66845 2.06671 2.66658 2.06537 2.66659 2.06537 2.66724 2.07162 2.66725 2.07161 2.66557 2.06886 2.66534 2.06885 2.07020 2.07023 2.67273 2.07109 2.67277 2.07109 2.67197 2.07116 2.67200 2.07115 2.07078 2.07076 2.06444 2.06312 2.15250 2.04258 2.08807 2.15185 2.04293 2.08836 2.03046 2.13962 2.11285 2.03077 2.13989 2.11228 1.87007 1.93266 1.91673 1.91732 1.91665 1.91011 1.87179 1.93252 1.91600 1.91559 1.91800 1.90968 2.13463 2.08849 2.05939 2.13491 2.08828 2.05937 2.13591 2.06278 2.08406 2.13599 2.06285 2.08393 2.09760 2.10453 2.08105 2.09776 2.10669 2.07874 2.10965 2.08258 2.09095 2.10959 2.08257 2.09102 2.11459 2.08377 2.08441 2.11469 2.08350 2.08458 2.08418 2.09573 2.10321 2.08379 2.09591 2.10343 2.09324 2.08659 2.10335 2.09362 2.08629 2.10326 2.10318 2.08496 2.09505 2.10327 2.08490 2.09501 2.09775 2.08915 2.09626 2.09768 2.08913 2.09635 2.08178 2.10053 2.10087 2.08174 2.10055 2.10088 -3.08101 0.03684 3.13496 -1.05748 1.05401 -3.08783 0.03044 -3.13459 -1.04497 1.06542 -0.01511 -3.13335 3.11833 0.00008 -0.70526 2.47678 2.44469 -0.65645 -0.00030 3.10946 3.13345 -0.03998 -0.01169 -3.13036 3.12028 0.00161 -0.70555 2.47506 2.44590 -0.65667 -0.00117 3.10937 3.13117 -0.04147 -3.11768 0.02280 -0.00092 3.13956 -3.11910 0.02178 -0.00190 3.13899 1.34724 -0.75318 -2.85405 -0.75330 -2.85371 1.32860 -2.85494 1.32783 -0.77304 -3.09230 0.05178 0.00949 -3.12962 3.09754 -0.07497 -0.00534 3.10534 -3.09432 0.05010 0.00887 -3.12989 3.09943 -0.07333 -0.00482 3.10561 0.00135 3.13044 -3.10804 0.02105 0.00100 3.13060 -3.10919 0.02041 0.00197 -3.13476 -3.13853 0.00793 0.00167 -3.13456 -3.13922 0.00773 -0.00635 3.13408 3.13275 -0.01000 -0.00593 3.13467 3.13282 -0.00976 -0.00202 3.13114 -3.11268 0.02047 -0.00223 3.13067 -3.11264 0.02026 -0.00216 3.13451 -3.13120 0.00548 -0.00121 3.13496 -3.13076 0.00542 -0.00120 -3.13750 3.14156 0.00525 -0.00130 -3.13733 3.14129 0.00526 0.00533 -3.14155 -3.12779 0.00851 0.00533 3.14136 -3.12753 0.00850 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000039 0.000007 0.003288 0.000949 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -3.418997e-08 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 2 3 3 3 4 4 4 5 6 7 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 22 23 23 24 24 25 25 26 26 27 28 5 7 6 8 5 9 11 6 10 12 13 14 8 29 30 31 32 15 17 16 18 19 33 20 34 21 35 22 36 23 37 24 38 25 39 26 40 21 41 22 42 43 44 27 45 28 46 27 47 28 48 49 50 1.4071 1.4679 1.407 1.4676 1.4321 1.4942 1.4199 1.4322 1.4942 1.4199 1.4162 1.4163 1.5199 1.1078 1.11 1.1078 1.11 1.4227 1.4236 1.4227 1.4236 1.4118 1.0956 1.4118 1.0956 1.4121 1.0934 1.4121 1.0937 1.4111 1.093 1.4111 1.0929 1.4114 1.0963 1.4114 1.0962 1.4106 1.0948 1.4104 1.0948 1.0955 1.0955 1.4143 1.096 1.4144 1.096 1.414 1.096 1.414 1.096 1.0958 1.0958 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 5 6 5 5 9 6 6 10 1 1 3 2 2 4 1 1 1 8 8 29 2 2 2 7 7 31 3 3 15 4 4 16 3 3 19 4 4 20 5 5 21 6 6 22 9 9 23 10 10 24 9 9 25 10 10 26 11 11 21 12 12 22 13 13 19 14 14 20 15 15 27 16 16 28 17 17 27 18 18 28 23 23 25 24 24 26 1 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 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 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 28 28 28 7 8 9 11 11 10 12 12 3 13 13 4 14 14 8 29 30 29 30 30 7 31 32 31 32 32 15 17 17 16 18 18 19 33 33 20 34 34 21 35 35 22 36 36 23 37 37 24 38 38 25 39 39 26 40 40 21 41 41 22 42 42 19 43 43 20 44 44 27 45 45 28 46 46 27 47 47 28 48 48 25 49 49 26 50 50 118.2843 118.2067 123.3264 117.0315 119.6405 123.2969 117.0498 119.6509 116.3344 122.593 121.0586 116.3581 122.6023 121.0259 107.148 110.7324 109.8205 109.8553 109.8137 109.4424 107.2462 110.7243 109.7787 109.7564 109.8914 109.4181 122.3019 119.6647 117.9947 122.3234 119.6479 117.9921 122.3781 118.1891 119.408 122.3839 118.1926 119.3999 120.1829 120.5821 119.235 120.1923 120.7046 119.103 120.8743 119.3222 119.8034 120.8713 119.3224 119.8061 121.1566 119.392 119.428 121.1632 119.3757 119.4373 119.4152 120.0764 120.5045 119.3926 120.087 120.5168 119.9336 119.5532 120.5126 119.9553 119.5361 120.5078 120.5028 119.4595 120.0377 120.5084 119.4564 120.0352 120.1925 119.699 120.1068 120.1886 119.6981 120.1115 119.2768 120.3515 120.371 119.2743 120.3531 120.3719 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 7 7 5 5 5 8 8 6 6 6 9 9 11 11 5 5 11 11 5 5 9 9 10 10 12 12 6 6 12 12 6 6 10 10 1 1 3 3 2 2 4 4 1 1 1 29 29 29 30 30 30 3 3 17 17 3 3 15 15 4 4 18 18 4 4 16 16 3 3 33 33 4 4 34 34 5 5 35 35 6 6 36 36 9 9 37 37 10 10 38 38 9 9 39 39 10 10 40 40 11 11 41 41 12 12 42 42 15 15 45 45 16 16 46 46 17 17 47 47 18 18 48 1 1 1 1 1 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 5 5 7 7 7 6 6 8 8 8 5 5 5 5 9 9 9 9 11 11 11 11 6 6 6 6 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 8 8 8 8 8 8 8 8 8 15 15 15 15 17 17 17 17 16 16 16 16 18 18 18 18 19 19 19 19 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 21 21 21 21 22 22 22 22 27 27 27 27 28 28 28 28 27 27 27 27 28 28 28 3 13 8 29 30 4 14 7 31 32 1 13 1 13 15 17 15 17 19 33 19 33 2 14 2 14 16 18 16 18 20 34 20 34 21 35 21 35 22 36 22 36 2 31 32 2 31 32 2 31 32 23 37 23 37 25 39 25 39 24 38 24 38 26 40 26 40 21 41 21 41 22 42 22 42 19 43 19 43 20 44 20 44 27 45 27 45 28 46 28 46 27 47 27 47 28 48 28 48 13 43 13 43 14 44 14 44 25 49 25 49 26 50 26 50 23 49 23 49 24 50 24 -176.5086 2.142 179.6082 -60.5999 60.3804 -176.8987 1.762 -179.6088 -59.8813 61.036 -0.86 -179.5329 178.6788 0.0058 -40.3855 141.9217 140.0871 -37.6056 -0.0214 178.1568 179.5352 -2.2866 -0.6741 -179.3575 178.7723 0.0888 -40.4371 141.8061 140.1302 -37.6266 -0.0641 178.1556 179.4034 -2.3768 -178.6385 1.3034 -0.0502 179.8917 -178.7061 1.2542 -0.1064 179.8539 77.2007 -43.144 -163.5164 -43.1513 -163.4961 76.1315 -163.5671 76.0881 -44.2843 -177.1802 2.9638 0.5493 -179.3067 177.4783 -4.2899 -0.3131 177.9186 -177.2871 2.8741 0.5051 -179.3337 177.5798 -4.2038 -0.2735 177.9429 0.0806 179.3627 -178.0761 1.206 0.0556 179.3688 -178.1434 1.1698 0.1093 -179.6067 -179.8334 0.4506 0.0951 -179.5965 -179.8658 0.4425 -0.3643 179.5703 179.491 -0.5744 -0.3388 179.6045 179.4991 -0.5575 -0.1118 179.4038 -178.3429 1.1727 -0.1279 179.3742 -178.3432 1.1589 -0.1234 179.5899 -179.4024 0.3109 -0.0693 179.6193 -179.3794 0.3091 -0.0721 -179.7662 179.9937 0.2995 -0.0728 -179.7567 179.9842 0.3002 0.3073 -179.9986 -179.2064 0.4877 0.3033 179.9872 -179.1967 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 344.27699999999976 AuxInfo=1/0/N:27,28,23,25,24,26,19,20,21,22,15,17,16,18,11,12,13,14,7,8,9,10,3,4,5,6,1,2/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.3,22.3,23.3,24.3,25.3,26.3/rA:50OOC3C3C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1s3;s2s4;s1;s2s7;s3;s4;s3;s4;s5;s6;s9;s10;s9;s10;s11;s12;s13s19;s14s20;s15;s16;s17;s18;s23s25;s24s26;s7;s7;s8;s8;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.300651 0.000000 2.341785 5.564443 0.000000 5.564723 2.341798 7.722385 0.000000 1.377680 4.488855 1.419716 6.709496 0.000000 4.489099 1.377689 6.709564 1.419732 5.750342 0.000000 1.459045 2.327084 3.693495 4.642914 2.436547 3.642454 0.000000 2.327093 1.459053 4.642936 3.693489 3.642462 2.436537 1.526781 0.000000 2.751737 5.703841 1.476267 7.748619 2.531133 6.635366 4.205200 4.703963 0.000000 5.703969 2.751728 7.748278 1.476273 6.635041 2.531142 4.703897 4.205174 8.019473 0.000000 3.623364 6.806586 1.399038 8.940939 2.411460 8.003133 4.844881 5.949963 2.496940 8.826219 0.000000 6.806971 3.623366 8.941148 1.399028 8.003197 2.411462 5.949936 4.844862 8.826837 2.496952 10.194483 0.000000 2.457491 4.979985 2.463983 7.127213 1.399455 6.336439 2.867682 4.341152 3.820223 6.793126 2.807599 8.494033 0.000000 4.980302 2.457475 7.127567 2.463991 6.336635 1.399434 4.341138 2.867651 6.793754 3.820223 8.494312 2.807614 7.119851 0.000000 2.816574 5.075515 2.500690 6.873007 3.109687 5.813325 4.141077 4.278454 1.405252 7.249603 3.630988 7.842358 4.456947 5.910794 0.000000 5.075702 2.816440 6.872561 2.500698 5.813004 3.109639 4.278542 4.141045 7.249436 1.405256 7.841609 3.631044 5.910238 4.456892 6.517733 0.000000 3.912722 6.854035 2.496037 8.912360 3.663143 7.713691 5.312640 5.714300 1.404943 9.292374 3.064151 9.929599 4.853697 7.689040 2.428213 8.594915 0.000000 6.853996 3.912792 8.911829 2.496042 7.713164 3.663196 5.714093 5.312607 9.292234 1.404946 9.928747 3.064117 7.688144 4.853740 8.594995 2.428223 10.567028 0.000000 4.156196 7.146179 2.438328 9.265530 2.782331 8.441037 5.079648 6.407409 3.789174 8.951997 1.400576 10.591687 2.426727 9.100852 4.830084 7.918302 4.410356 9.916491 0.000000 7.146623 4.156188 9.265968 2.438322 8.441257 2.782315 6.407386 5.079618 8.952852 3.789189 10.591974 1.400588 9.100741 2.426732 7.919232 4.830126 9.917636 4.410349 11.132543 0.000000 3.703779 6.350388 2.822393 8.445226 2.408596 7.702240 4.265095 5.725575 4.298632 8.020218 2.421613 9.815197 1.399141 8.491131 5.158641 7.033918 5.143309 8.870752 1.395150 10.453477 0.000000 6.350819 3.703774 8.445755 2.822389 7.702539 2.408580 5.725572 4.265077 8.021109 4.298634 9.815636 2.421614 8.491162 1.399158 7.034790 5.158629 8.871956 5.143326 10.453678 1.395133 9.857043 0.000000 4.000465 5.785633 3.780496 7.342230 4.456600 6.255297 5.209080 5.005655 2.427310 7.928409 4.810980 8.118544 5.827762 6.069548 1.396234 7.327852 2.798398 9.312965 6.099225 7.979653 6.521434 7.015325 0.000000 5.785649 4.000343 7.341461 3.780506 6.254724 4.456561 5.005667 5.209020 7.927935 2.427312 8.117391 4.811040 6.068712 5.827711 7.327615 1.396238 9.312537 2.798403 7.978285 6.099276 7.014067 6.521428 8.265614 0.000000 4.832034 7.389459 3.777875 9.272277 4.857667 8.045437 6.177509 6.272057 2.427174 9.824839 4.401510 10.141961 6.135723 7.804861 2.797443 9.218564 1.397247 11.152603 5.774790 9.958550 6.510076 8.849282 2.420495 10.061987 0.000000 7.389298 4.832062 9.271480 3.777882 8.044709 4.857698 6.271811 6.177444 9.824440 2.427177 10.140774 4.401508 7.803742 6.135746 9.218442 2.797452 11.152298 1.397250 9.957045 5.774805 8.847763 6.510093 10.062202 2.420498 11.853448 0.000000 4.872556 6.922719 4.281167 8.561497 5.182449 7.390507 6.138229 5.966960 2.805045 9.212574 5.125337 9.306252 6.549462 7.060349 2.423432 8.658649 2.424158 10.583816 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10.639186 7.729748 7.642808 7.654097 9.536155 8.308510 8.631950 4.675281 4.684150 6.872134 6.920657 4.339053 11.204668 2.486496 8.941457 6.135610 7.104002 5.962391 10.400204 2.522511 12.327360 0.000000 6.986519 4.644142 9.112239 3.960147 8.393429 3.440912 6.434079 4.915012 8.649540 5.453614 10.522763 3.434910 9.240591 2.172417 7.641119 6.352769 9.507751 6.255831 11.218957 2.181353 10.633444 1.095519 7.608059 7.730559 9.479795 7.652817 8.581479 8.308352 6.878688 6.917249 4.663493 4.688940 11.177145 4.338823 8.943219 2.484098 7.094513 6.137623 10.347416 5.959256 12.312671 2.522509 11.346094 0.000000 4.613857 4.954336 4.723601 5.327450 5.222167 5.141172 5.688395 5.412126 3.451902 5.374837 5.844051 6.032315 6.598004 5.703126 2.171072 4.575983 3.911416 6.608012 7.102914 6.523880 7.423536 6.370031 1.095973 5.256727 3.436220 7.100105 2.180226 6.513769 6.181219 6.524090 4.910323 6.450198 5.891606 6.472150 7.182034 5.948424 2.493359 3.721118 5.007343 7.377086 7.974305 7.278172 8.481916 7.034319 0.000000 4.957908 4.612458 5.359577 4.723859 5.159491 5.222043 5.408294 5.686043 5.403710 3.451872 6.075106 5.844935 5.719950 6.598828 4.593325 2.171049 6.640298 3.911310 6.564411 7.104395 6.398525 7.424755 5.268161 1.095978 7.127412 3.436213 6.531771 2.180220 4.901090 6.446247 6.183754 6.518867 6.521301 5.892615 5.952698 7.185041 3.730392 2.493356 7.414120 5.007234 7.323825 7.976080 7.060438 8.483435 5.058332 0.000000 6.089001 8.050003 4.696002 9.263280 5.905916 8.658660 7.479812 7.787086 3.457122 9.325521 5.041993 10.118169 7.101531 8.995470 3.918046 8.304196 2.173999 10.619409 6.397847 10.415406 7.311516 9.881546 3.436750 8.753202 1.096011 10.976599 2.180643 10.120985 8.196972 7.809041 7.085367 8.783693 4.477437 10.705023 8.032003 8.773880 5.010936 7.300396 2.493155 11.462165 6.889509 11.207411 8.358187 10.310773 4.346935 8.166765 0.000000 8.058994 6.088085 9.296671 4.695805 8.688132 5.904712 7.795579 7.480188 9.342454 3.457174 10.168200 5.042274 9.037429 7.099607 8.306073 3.918134 10.633613 2.173990 10.476436 6.397423 9.939047 7.309727 8.738345 3.436782 10.977023 1.096007 10.107529 2.180703 7.099060 8.793227 8.195085 7.808453 10.756705 4.478828 8.810047 8.031032 7.302861 5.011013 11.484671 2.493292 11.277561 6.889502 10.375328 8.356170 8.137509 4.346977 12.036734 0.000000 6.095146 7.145226 5.447935 7.754407 6.380157 7.399900 7.362443 7.252317 3.954895 7.887376 6.238971 8.374189 7.758685 7.716518 3.446345 7.045051 3.443783 9.122351 7.641921 8.661319 8.308545 8.346013 2.183454 7.606309 2.183305 9.565891 1.095810 8.879969 8.026788 7.962136 6.531299 8.268944 5.910207 8.838203 8.536510 7.732911 4.345252 6.143892 4.343695 9.884046 8.330551 9.327459 9.403380 8.802907 2.516681 7.221100 2.517777 10.590936 0.000000 7.154278 6.093694 7.794528 5.448033 7.429193 6.379346 7.255617 7.361401 7.916473 3.954955 8.431302 6.239814 7.752134 7.758036 7.057760 3.446413 9.153834 3.443757 8.724019 7.642733 8.398496 8.308364 7.607266 2.183477 9.587296 2.183317 8.887233 1.095797 6.533964 8.272726 8.027691 7.958254 8.900811 5.911767 7.757352 8.537430 6.151019 4.345309 9.924042 4.343783 9.399507 8.331838 8.857921 9.403255 7.206961 2.516680 10.614456 2.517875 9.462977 0.000000 0.2358188 0.1013159 0.0953466 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 307 307 307 307 307 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 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= 22578 NPrTT= 116094 LenC2= 18792 LenP2D= 56981. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 324 RedAO= T EigKep= 6.59D-04 NBF= 324 NBsUse= 324 1.00D-06 EigRej= -1.00D+00 NBFU= 324 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= 312 312 312 312 312 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 0 1 -1152.45481504563 -1152.59537590184 -0.140560856206 -1152.79666917509 -0.201293273249 -1152.49446234893 0.302206826159 -1152.80928491890 -0.314822569968 -1152.84238220399 -0.033097285093 -1152.84261418471 -0.000231980717 -1152.84263838527 -0.000024200561 -1152.84261533941 0.000023045859 -1152.84262720720 -0.000011867786 -1152.84262192983 0.000005277365 -1152.84263021562 -0.000008285786 -1152.84263038020 -0.000000164583 -1152.84263038166 -0.000000001462 -1152.84263038169 -0.000000000032 -1152.84263038176 -0.000000000065 -1152.84263038 16 1.148163148554e+03 -7.330427962596e+03 2.705335811125e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 337466 IEndB= 337466 NGot= 402653184 MDV= 402437659 LenX= 402437659 LenY= 402332242 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. -9.56797842e-03 2.27022989e-02 5.67161164e-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 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.005663266 -0.003244322 0.002880976 -0.005798896 0.003505886 0.002420444 -0.001852314 0.001294852 -0.000986413 0.001894627 -0.001388880 -0.000875437 -0.004723047 -0.005625228 -0.005074655 0.004919600 0.005224516 -0.005416833 -0.006213171 -0.010257491 -0.001385262 0.006291606 0.010089129 -0.002036116 0.000345973 0.008548248 0.003081838 -0.000468424 -0.008323244 0.003766371 -0.007957481 -0.002945989 -0.000816082 0.008048888 0.002752040 -0.000718882 0.003176391 0.002396509 0.001665479 -0.003290689 -0.002171225 0.001700186 0.006106662 0.002555739 -0.002986039 -0.005972317 -0.002751298 -0.002968006 -0.005390487 0.000747430 0.000576319 0.005316936 -0.000695353 0.000773833 -0.010199471 0.003252627 -0.002251316 0.010278406 -0.003371977 -0.001620484 -0.002419580 0.011236669 0.002359345 0.002333187 -0.011031998 0.003372352 0.008303716 -0.001390344 -0.005355465 -0.008074999 0.000916519 -0.005688198 -0.007002373 -0.007482308 0.002767839 0.006902701 0.007651859 0.002399084 0.001367875 -0.010186486 -0.001875994 -0.001295933 0.010054753 -0.002727984 0.003728987 -0.001622790 0.004118307 0.000879632 0.003261888 0.003386782 -0.003853670 0.001922556 0.003863446 -0.000995412 -0.002962637 0.003594570 -0.001270496 -0.002215429 -0.001632521 0.001324472 0.002106712 -0.001757772 0.004642463 0.002992596 0.002798797 -0.004760112 -0.002782362 0.002890539 0.000924262 0.001199623 -0.001439235 -0.000903795 -0.001314407 -0.001369813 -0.003773588 0.002136761 0.002980886 0.003664796 -0.001833226 0.003270870 -0.004624423 0.002350609 -0.001176831 0.004662371 -0.002430152 -0.000840080 -0.000734153 0.003832869 0.000655102 0.000707580 -0.003759145 0.000989270 0.004038974 -0.001375141 -0.002862813 -0.003945435 0.001124622 -0.003094525 -0.003196241 -0.003734698 0.001693078 0.003147707 0.003855318 0.001496418 0.000982042 -0.005587669 -0.001034397 -0.000936616 0.005473471 -0.001510982 0.011236669 0.004297750 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1152.85879757807 -1152.85881193481 -0.000014356744 -1152.85881180633 0.000000128477 -1152.85881198593 -0.000000179600 -1152.85881199381 -0.000000007873 -1152.85881199507 -0.000000001263 -1152.85881199510 -0.000000000031 -1152.85881199509 0.000000000013 -1152.85881200 8 1.146864335929e+03 -7.377277969816e+03 2.729616227041e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 337466 IEndB= 337466 NGot= 402653184 MDV= 402437659 LenX= 402437659 LenY= 402332242 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V V -18.795413 -18.795402 -9.968379 -9.968235 -9.968100 -9.968081 -9.917016 -9.917000 -9.912615 -9.912600 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0.091637 0.091863 0.105624 0.110678 0.113785 0.117683 0.118336 0.128500 0.131148 0.131230 0.137726 0.139157 0.140637 0.144668 0.145416 0.148606 0.148949 0.155959 0.162442 0.171748 0.175101 0.176940 0.179598 0.192704 0.193332 0.205279 0.210993 0.212601 0.213109 0.219843 0.220945 0.226570 0.227125 0.238041 0.245528 0.249259 0.250034 0.255794 0.256575 0.266461 0.272004 0.274710 0.282581 0.283384 0.288090 0.290474 0.297220 0.298172 0.306172 0.309829 0.312474 0.320905 0.323299 0.331592 0.335000 0.337441 0.338190 0.342894 0.350396 0.355381 0.357920 0.364249 0.365833 0.367220 0.369894 0.373269 0.376031 0.381807 0.384854 0.387170 0.387462 0.391052 0.393918 0.395383 0.397261 0.406623 0.407325 0.413847 0.414425 0.416291 0.418248 0.422002 0.425382 0.427079 0.432501 0.436784 0.443041 0.447805 0.449513 0.460192 0.460282 0.466386 0.466677 0.475092 0.477668 0.478326 0.479866 0.494642 0.510480 0.511490 0.517659 0.519664 0.528260 0.534732 0.555528 0.558720 0.571955 0.594180 0.606627 0.609249 0.612301 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1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|20 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|21 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|22 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|23 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|24 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|25 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|26 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|27 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|28 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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 1.13232 0.85935 0.94284 0.91248 1.04462 1.22548 1.16288 0.24528 0.41665 0.33596 1.13232 0.85935 0.94285 0.91243 1.03673 1.23329 1.16306 0.23714 0.42269 0.33770 1.17432 0.81383 0.74856 0.48157 0.89801 0.86616 0.84776 -0.06722 0.01855 0.02827 1.17432 0.81383 0.74855 0.48156 0.89866 0.86039 0.85284 -0.07316 0.04113 0.01149 1.17444 0.81382 0.77029 0.35328 0.76632 0.87823 0.88640 0.00814 0.07421 0.04805 1.17444 0.81382 0.77025 0.35342 0.76752 0.86489 0.89849 0.00249 0.09076 0.03687 1.17438 0.81408 0.74355 0.64200 0.85111 0.92691 0.82022 0.07749 0.15743 0.09995 1.17438 0.81408 0.74356 0.64190 0.84262 0.93863 0.81717 0.07331 0.16176 0.09949 1.17437 0.81387 0.75353 0.45102 0.91714 0.87185 0.80743 -0.19554 -0.07315 0.13505 1.17437 0.81387 0.75355 0.45096 0.91622 0.86325 0.81695 -0.19175 -0.04932 0.10751 1.17439 0.81398 0.75264 0.55765 0.88818 0.86120 0.85979 0.11470 0.13906 0.21193 1.17439 0.81399 0.75262 0.55766 0.89030 0.84922 0.86964 0.11778 0.14334 0.20493 1.17430 0.81411 0.74586 0.53423 0.90953 0.86228 0.87041 0.07486 0.15048 0.22424 1.17430 0.81411 0.74582 0.53428 0.91163 0.85539 0.87512 0.07615 0.15787 0.21542 1.17439 0.81392 0.75463 0.56420 0.91185 0.89184 0.80345 0.11940 0.17425 0.14638 1.17439 0.81392 0.75462 0.56427 0.91147 0.87797 0.81774 0.12459 0.18513 0.13034 1.17439 0.81401 0.75117 0.56051 0.92007 0.87761 0.81298 0.21135 0.08263 0.20665 1.17439 0.81401 0.75119 0.56054 0.91784 0.86679 0.82601 0.21037 0.09664 0.19354 1.17438 0.81416 0.75096 0.52995 0.91108 0.86022 0.84538 0.16427 0.10015 0.11003 1.17438 0.81416 0.75095 0.52990 0.91232 0.85205 0.85236 0.16152 0.12167 0.09141 1.17441 0.81411 0.75340 0.54274 0.88774 0.86915 0.84658 0.04835 0.17753 0.13139 1.17441 0.81411 0.75340 0.54268 0.88888 0.85679 0.85784 0.04255 0.18550 0.12927 1.17441 0.81413 0.75472 0.52463 0.92529 0.87281 0.80727 0.14903 0.03200 0.18329 1.17441 0.81413 0.75470 0.52459 0.92317 0.86134 0.82090 0.14692 0.05241 0.16499 1.17441 0.81414 0.75406 0.52613 0.91218 0.88752 0.80588 0.04588 0.14251 0.17570 1.17441 0.81414 0.75407 0.52611 0.91124 0.87547 0.81887 0.05288 0.15395 0.15728 1.17442 0.81416 0.75509 0.53473 0.90214 0.88846 0.81087 0.00825 0.14572 0.21515 1.17442 0.81416 0.75508 0.53475 0.90035 0.87559 0.82553 0.00835 0.15364 0.20716 0.50887 0.26110 0.51123 0.28431 0.50885 0.26128 0.51123 0.28421 0.51630 0.23581 0.51629 0.23584 0.51787 0.23550 0.51774 0.23574 0.51530 0.23553 0.51530 0.23540 0.51690 0.24173 0.51690 0.24172 0.51589 0.25621 0.51589 0.25615 0.51605 0.25718 0.51606 0.25721 0.51591 0.25495 0.51593 0.25509 0.51651 0.26043 0.51651 0.26041 0.51616 0.25642 0.51617 0.25643 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 C C C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.277864 -0.277557 0.190206 0.190399 0.226828 0.227033 -0.307116 -0.306904 0.344440 0.344402 -0.373531 -0.373849 -0.360291 -0.360088 -0.354308 -0.354449 -0.411370 -0.411305 -0.260573 -0.260704 -0.245400 -0.245424 -0.237583 -0.237563 -0.238417 -0.238428 -0.248997 -0.249038 0.230025 0.204459 0.229877 0.204553 0.247886 0.247866 0.246631 0.246512 0.249166 0.249292 0.241370 0.241381 0.227901 0.227958 0.226766 0.226722 0.229139 0.228985 0.223064 0.223083 0.227414 0.227404 0.00000 -2.02824783e-02 3.94175289e-02 9.96065396e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.0516 0.1002 2.5317 2.5343 -149.2551 -154.8539 -151.8275 -4.2951 0.1788 0.1870 2.7237 -2.8750 0.1513 -4.2951 0.1788 0.1870 -12.9571 -21.8947 45.9959 -8.2201 -6.1212 -23.6212 -2.6077 -3.8729 -22.8614 -43.6948 -10087.3775 -3527.1178 -2618.9132 -574.2688 -26.4174 -405.1873 24.3106 -43.3007 -7.1597 -2203.0470 -2379.5703 -884.8267 -13.0832 -25.4224 -207.2186 0 -1152.858812 5.412E-9 7.347E-6 2.0250314,-2.1375166,0.1124852,-3.193299,0.1329635,0.1389928 C01 [X(C26H22O2)] -0.0202825 0.0394175 0.9960654 @ -0.000009192 0.000018047 0.000029436 0.000003164 -0.000006365 -0.000005186 -0.000021307 0.000009522 -0.000008333 0.000004917 -0.000007847 0.000007242 0.000032569 -0.000000556 0.000002605 -0.000016533 0.000018597 0.000000065 -0.000025303 -0.000002895 -0.000018535 0.000021712 0.000005569 -0.000018177 0.000000614 -0.000006741 0.000010154 0.000000073 -0.000002806 -0.000002598 0.000007130 -0.000004664 0.000007774 -0.000005322 -0.000004436 -0.000001607 -0.000010944 0.000003099 -0.000003016 0.000021302 -0.000012365 -0.000004320 0.000011021 -0.000004634 -0.000012605 0.000001505 0.000003547 0.000004760 -0.000000787 0.000007805 -0.000005556 -0.000001172 -0.000001829 -0.000002074 -0.000000705 0.000001803 0.000000853 0.000002018 -0.000001547 0.000000367 0.000011037 0.000000806 0.000000642 -0.000011454 -0.000002488 0.000001083 -0.000004669 0.000004230 0.000002603 0.000000136 -0.000002527 0.000003824 0.000000621 -0.000000705 -0.000000454 -0.000001668 0.000001455 -0.000000842 -0.000005994 0.000002781 0.000004852 0.000006137 -0.000004851 0.000000795 0.000003326 -0.000000042 0.000003295 -0.000004749 0.000004256 -0.000001200 -0.000003999 0.000000287 0.000003877 0.000004908 -0.000004937 -0.000001573 -0.000000445 0.000002166 -0.000000025 -0.000000648 -0.000002027 -0.000001478 0.000004713 -0.000002983 0.000004815 -0.000001728 0.000002578 0.000000091 0.000000553 -0.000001545 -0.000004745 -0.000008295 -0.000006625 0.000003300 -0.000001122 0.000002826 0.000001248 -0.000000002 -0.000001838 0.000000551 0.000001707 0.000002013 0.000000044 -0.000000994 -0.000001167 -0.000002668 0.000001625 0.000000726 0.000001963 -0.000000903 -0.000001635 -0.000000947 -0.000002935 0.000000108 -0.000001139 0.000001831 -0.000001133 0.000000638 -0.000001577 0.000002168 0.000000607 0.000001282 -0.000002578 -0.000000200 -0.000002536 -0.000000411 -0.000000296 0.000001084 -0.000000211 0.000000089 344.27699999999976 AuxInfo=1/0/N:27,28,23,25,24,26,19,20,21,22,15,17,16,18,11,12,13,14,7,8,9,10,3,4,5,6,1,2/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.3,22.3,23.3,24.3,25.3,26.3/rA:50OOC3C3C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1s3;s2s4;s1;s2s7;s3;s4;s3;s4;s5;s6;s9;s10;s9;s10;s11;s12;s13s19;s14s20;s15;s16;s17;s18;s23s25;s24s26;s7;s7;s8;s8;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2069 CBGUSER 000219124 EM64L-G09RevD.01 28-Nov-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 144 C1[X(C26H22O2)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 344.27699999999976 0 1 AuxInfo=1/0/N:27,28,23,25,24,26,19,20,21,22,15,17,16,18,11,12,13,14,7,8,9,10,3,4,5,6,1,2/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.3,22.3,23.3,24.3,25.3,26.3/rA:50OOC3C3C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1s3;s2s4;s1;s2s7;s3;s4;s3;s4;s5;s6;s9;s10;s9;s10;s11;s12;s13s19;s14s20;s15;s16;s17;s18;s23s25;s24s26;s7;s7;s8;s8;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-28385.inp" -scrdir="/scratch/" chk=000219124-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 000219124 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 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000263 0.000058 0.063100 0.024480 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -2.008469e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 2347.9386058964 324 760 324 97 97 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 0 344.27699999999976 AuxInfo=1/0/N:27,28,23,25,24,26,19,20,21,22,15,17,16,18,11,12,13,14,7,8,9,10,3,4,5,6,1,2/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.3,22.3,23.3,24.3,25.3,26.3/rA:50OOC3C3C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1s3;s2s4;s1;s2s7;s3;s4;s3;s4;s5;s6;s9;s10;s9;s10;s11;s12;s13s19;s14s20;s15;s16;s17;s18;s23s25;s24s26;s7;s7;s8;s8;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 2.960134 0.000000 2.412197 5.177881 0.000000 5.172881 2.412540 7.090009 0.000000 1.407080 4.236985 1.432122 6.377793 0.000000 4.230752 1.407026 6.373388 1.432216 5.556133 0.000000 1.467942 2.405481 3.758587 4.807560 2.468240 3.730539 0.000000 2.404268 1.467562 4.805234 3.758022 3.730202 2.466865 1.519873 0.000000 2.877312 5.208404 1.494165 6.824992 2.575807 6.170794 4.343726 4.982290 0.000000 5.208710 2.877224 6.837770 1.494150 6.184213 2.575518 4.985984 4.343504 6.686908 0.000000 3.698367 6.484111 1.419912 8.387369 2.432177 7.724835 4.899117 6.098235 2.519358 8.004604 0.000000 6.475905 3.698790 8.380581 1.419945 7.725019 2.432523 6.100109 4.898329 7.982717 2.519507 9.704399 0.000000 2.476376 4.944452 2.479809 7.150500 1.416230 6.339591 2.867641 4.361387 3.868076 6.860667 2.808573 8.539483 0.000000 4.934673 2.476514 7.136465 2.479564 6.332360 1.416316 4.360058 2.865797 6.838369 3.867706 8.527696 2.808424 7.143346 0.000000 2.881607 4.399397 2.555116 5.663463 3.152001 5.160272 4.229009 4.499453 1.422721 5.548515 3.740007 6.743963 4.531235 5.882641 0.000000 4.399229 2.881115 5.679606 2.555373 5.172704 3.152164 4.498708 4.227670 5.556204 1.422728 6.768169 3.740519 5.899379 4.531990 4.473931 0.000000 4.145479 6.479588 2.522853 8.020575 3.769117 7.342960 5.582600 6.156165 1.423629 7.960606 3.008333 9.085826 4.939978 7.864189 2.439730 6.851077 0.000000 6.484071 4.145198 8.041456 2.522630 7.363833 3.768282 6.163419 5.583148 7.965982 1.423634 9.118917 3.008329 7.896618 4.938531 6.845707 2.439707 9.253386 0.000000 4.234077 6.977693 2.481148 8.998055 2.828012 8.315959 5.124975 6.514939 3.834185 8.546891 1.411752 10.373036 2.443695 9.155586 4.962354 7.346811 4.386817 9.563177 0.000000 6.966744 4.234667 8.983384 2.481271 8.310437 2.828629 6.515631 5.123920 8.517746 3.834350 10.363173 1.411781 9.161502 2.443828 7.319328 4.963332 9.520362 4.386310 11.065942 0.000000 3.755933 6.309097 2.865050 8.441076 2.451676 7.701651 4.279069 5.768971 4.358506 8.028084 2.436965 9.841551 1.412117 8.536493 5.279376 6.956686 5.188994 8.997007 1.410564 10.516602 0.000000 6.297213 3.756083 8.422792 2.864672 7.692443 2.451844 5.767955 4.277337 7.998500 4.358103 9.825943 2.436596 8.536673 1.412092 6.932440 5.280184 8.954189 5.187487 10.508977 1.410433 9.923819 0.000000 4.134632 5.137907 3.846047 5.951451 4.535587 5.576175 5.384539 5.353932 2.464908 5.960484 4.906236 6.803210 5.928798 6.139283 1.411102 5.019734 2.815473 7.239682 6.218928 7.278838 6.647749 6.972640 0.000000 5.142090 4.133484 5.980205 3.846226 5.596199 4.535305 5.353598 5.382980 5.981367 2.464883 6.843101 4.906956 6.162366 5.929123 5.029138 1.411108 7.261022 2.815361 7.320892 6.220009 7.006998 6.648379 5.625563 0.000000 5.097555 7.002412 3.827475 8.227159 4.985832 7.641045 6.502018 6.805349 2.469434 8.254617 4.377445 9.130300 6.248158 8.057190 2.822114 7.221612 1.411444 9.550305 5.772737 9.488948 6.578080 8.984452 2.440404 7.689202 0.000000 7.009843 5.096762 8.257323 3.827405 7.667442 4.984909 6.812253 6.502158 8.269819 2.469523 9.175201 4.377847 8.094342 6.246821 7.223142 2.822208 9.562735 1.411448 9.543095 5.772695 9.035215 6.576908 7.675269 2.440401 9.911087 0.000000 5.101475 6.427084 4.352214 7.298221 5.304361 6.857325 6.425875 6.463893 2.859086 7.365395 5.173135 8.077368 6.673344 7.272612 2.453086 6.427767 2.449233 8.638923 6.569167 8.439653 7.213491 8.060593 1.414347 6.972709 1.413951 9.054762 0.000000 6.434544 5.100311 7.332439 4.352317 6.883652 5.303675 6.467514 6.425096 7.387960 2.859161 8.126271 5.173862 7.305911 6.672790 6.436001 2.453178 8.661607 2.449202 8.494464 6.569857 8.108183 7.213288 6.968453 1.414366 9.067244 1.413966 8.307338 0.000000 2.129184 2.520693 4.132622 4.734571 2.780883 3.889639 1.107800 2.163555 4.881981 4.650425 5.126570 6.090967 2.825922 4.751875 4.724787 4.146884 6.214201 5.662781 5.164958 6.684809 4.178279 6.111354 5.941842 4.819057 7.183864 6.171293 7.075287 5.808421 0.000000 2.119420 3.361143 4.082891 5.762956 2.766258 4.583476 1.110000 2.164674 4.816964 6.035377 5.071844 6.994075 2.840668 4.980728 4.955485 5.601777 5.912081 7.178647 5.126343 7.272655 4.169853 6.382802 6.115668 6.428051 6.913164 7.839779 7.009707 7.513597 1.810503 0.000000 2.517158 2.128770 4.724932 4.126178 3.883085 2.774061 2.162308 1.107824 4.641381 4.878800 6.080145 5.117645 4.746195 2.816090 4.147063 4.724415 5.648917 6.211055 6.674599 5.154298 6.103772 4.167125 4.821125 5.942870 6.159946 7.182314 5.804060 7.075512 3.067818 2.609524 0.000000 3.360889 2.118588 5.760803 4.086035 4.583810 2.768628 2.165695 1.110036 6.031646 4.817898 6.992237 5.076601 4.983211 2.844391 5.602584 4.953668 7.170847 5.913311 7.272339 5.132077 6.384723 4.174865 6.428346 6.112056 7.832190 6.912411 7.509589 7.006840 2.612282 2.406149 1.810282 0.000000 4.572649 7.288636 2.164756 9.053708 3.423684 8.454612 5.869215 6.969535 2.697405 8.646275 1.095586 10.323765 3.903841 9.244429 3.959943 7.359032 2.720115 9.759156 2.170781 10.987684 3.427464 10.490304 4.899042 7.366405 3.968815 9.765617 4.912078 8.653347 6.136220 6.079222 6.851738 7.911839 0.000000 7.281041 4.573082 9.049259 2.164842 8.456854 3.424011 6.972008 5.868606 8.625128 2.697747 10.327477 1.095607 9.259317 3.903727 7.333546 3.960378 9.726579 2.720878 11.002344 2.170735 10.510425 3.427141 7.322816 4.899982 9.719281 3.970087 8.600879 4.913418 6.863334 7.914541 6.127690 6.083939 10.902758 0.000000 2.741491 4.686821 3.471687 6.932639 2.185652 6.083179 2.530210 4.037613 4.757898 6.696759 3.901979 8.312232 1.093447 6.855430 5.237303 5.907218 5.890771 7.659268 3.429288 8.902771 2.167471 8.252502 6.621096 6.236318 7.150109 7.914712 7.471669 7.267613 2.275101 2.345896 4.611654 4.451933 4.997223 9.057906 0.000000 4.679350 2.743917 6.917984 3.472578 6.075062 2.187206 4.037082 2.530467 6.677162 4.759039 8.297701 3.902017 6.852259 1.093655 5.896662 5.240075 7.629817 5.890456 8.892269 3.428610 8.247524 2.166187 6.223065 6.623381 7.883505 7.149985 7.243548 7.472699 4.616880 4.449273 2.268088 2.350381 9.040590 4.997292 6.544651 0.000000 2.394167 3.478419 2.774374 4.743672 2.908574 4.306169 3.564098 3.792587 2.177539 4.535397 4.040479 5.916441 4.205581 5.200964 1.092951 3.441543 3.432306 5.826257 5.061205 6.604078 5.124273 6.290399 2.172289 4.061019 3.915024 6.214577 3.440431 5.470927 3.906680 4.452094 3.658499 4.900015 4.472533 6.497897 4.750564 5.324215 0.000000 3.472580 2.394142 4.750420 2.774773 4.308947 2.909505 3.786753 3.561949 4.538008 2.177537 5.928134 4.040961 5.205148 4.207530 3.440552 1.092939 5.827393 3.432284 6.616428 5.062550 6.299592 5.126028 4.055284 2.172315 6.212361 3.915107 5.465715 3.440511 3.650978 4.894218 3.907316 4.449854 6.511210 4.472603 5.322718 4.754945 2.396927 0.000000 4.634952 7.231203 2.724138 8.935578 4.005288 8.185779 6.020368 6.758167 2.181829 8.863674 2.754902 10.044767 4.955836 8.681171 3.435514 7.732771 1.096253 10.146880 4.011709 10.461105 4.959281 9.825767 3.911400 8.087715 2.171270 10.421395 3.437998 9.479424 6.647799 6.180211 6.278670 7.713198 2.311471 10.715887 5.955411 8.358841 4.342175 6.718189 0.000000 7.235656 4.634786 8.954344 2.723443 8.206614 4.004024 6.767400 6.021440 8.865063 2.181652 10.076082 2.754042 8.715793 4.953340 7.723860 3.435392 10.141129 1.096249 10.504119 4.009926 9.870719 4.956394 8.061142 3.911286 10.401702 2.171370 9.449497 3.438042 6.296587 7.723323 6.643174 6.183004 10.745642 2.311632 8.392469 5.953668 6.715503 4.342020 11.043349 0.000000 5.328608 8.053901 3.465573 10.039453 3.922724 9.393629 6.196677 7.602958 4.696574 9.525246 2.177330 11.417842 3.439428 10.248711 5.875667 8.289243 5.041834 10.490903 1.094795 12.139128 2.180834 11.599714 7.061511 8.148407 6.387288 10.379694 7.289783 9.268651 6.191152 6.151990 7.763372 8.340884 2.498465 12.017246 4.336838 9.985334 6.039480 7.599114 4.511879 11.453290 0.000000 8.041807 5.329195 10.022055 3.465746 9.386629 3.923336 7.603562 6.195568 9.492085 4.696857 11.405213 2.177467 10.254110 3.439573 8.258206 5.876727 10.442161 5.041586 12.137429 1.094791 11.606720 2.180843 8.101055 7.062855 10.317901 6.387608 9.206259 7.290856 7.774149 8.341178 6.179860 6.158143 11.998979 2.498537 9.996217 4.335774 7.584576 6.040761 11.404070 4.510334 13.208339 0.000000 4.644171 7.000033 3.960510 9.135667 3.440873 8.406506 4.917158 6.436219 5.453998 8.683481 3.435203 10.545059 2.172611 9.244711 6.351809 7.666872 6.257447 9.556704 2.181509 11.233469 1.095503 10.639186 7.729748 7.642808 7.654098 9.536155 8.308510 8.631949 4.675281 4.684150 6.872134 6.920657 4.339053 11.204669 2.486497 8.941458 6.135610 7.104002 5.962392 10.400204 2.522511 12.327360 0.000000 6.986519 4.644142 9.112240 3.960147 8.393429 3.440912 6.434078 4.915012 8.649540 5.453614 10.522763 3.434910 9.240592 2.172417 7.641120 6.352770 9.507752 6.255830 11.218957 2.181352 10.633444 1.095519 7.608059 7.730559 9.479795 7.652817 8.581479 8.308353 6.878688 6.917249 4.663493 4.688940 11.177146 4.338823 8.943219 2.484098 7.094513 6.137623 10.347417 5.959256 12.312672 2.522509 11.346095 0.000000 4.613857 4.954337 4.723601 5.327452 5.222167 5.141172 5.688395 5.412127 3.451902 5.374837 5.844051 6.032316 6.598004 5.703127 2.171072 4.575982 3.911415 6.608013 7.102914 6.523879 7.423536 6.370032 1.095972 5.256727 3.436220 7.100106 2.180225 6.513770 6.181219 6.524090 4.910324 6.450199 5.891606 6.472151 7.182034 5.948425 2.493359 3.721119 5.007343 7.377087 7.974305 7.278172 8.481916 7.034319 0.000000 4.957908 4.612458 5.359576 4.723859 5.159491 5.222042 5.408293 5.686043 5.403710 3.451872 6.075106 5.844935 5.719951 6.598828 4.593325 2.171048 6.640298 3.911309 6.564411 7.104395 6.398524 7.424755 5.268161 1.095978 7.127412 3.436213 6.531771 2.180220 4.901090 6.446246 6.183753 6.518867 6.521302 5.892615 5.952698 7.185041 3.730393 2.493355 7.414121 5.007233 7.323826 7.976080 7.060438 8.483435 5.058333 0.000000 6.089001 8.050003 4.696002 9.263281 5.905916 8.658659 7.479812 7.787087 3.457122 9.325521 5.041993 10.118169 7.101531 8.995470 3.918046 8.304195 2.173999 10.619409 6.397847 10.415405 7.311516 9.881546 3.436750 8.753202 1.096011 10.976600 2.180643 10.120985 8.196972 7.809041 7.085367 8.783693 4.477437 10.705024 8.032003 8.773879 5.010935 7.300396 2.493155 11.462166 6.889509 11.207411 8.358188 10.310773 4.346935 8.166765 0.000000 8.058994 6.088085 9.296670 4.695805 8.688132 5.904712 7.795579 7.480188 9.342453 3.457174 10.168200 5.042274 9.037430 7.099607 8.306072 3.918134 10.633613 2.173990 10.476435 6.397423 9.939046 7.309727 8.738344 3.436782 10.977023 1.096007 10.107528 2.180703 7.099061 8.793226 8.195085 7.808452 10.756705 4.478828 8.810046 8.031033 7.302861 5.011013 11.484671 2.493292 11.277561 6.889502 10.375328 8.356170 8.137510 4.346976 12.036734 0.000000 6.095146 7.145227 5.447935 7.754408 6.380157 7.399899 7.362442 7.252317 3.954894 7.887377 6.238971 8.374189 7.758684 7.716518 3.446345 7.045050 3.443782 9.122351 7.641920 8.661318 8.308544 8.346013 2.183454 7.606308 2.183304 9.565891 1.095809 8.879970 8.026787 7.962136 6.531299 8.268944 5.910206 8.838203 8.536510 7.732911 4.345251 6.143892 4.343695 9.884046 8.330550 9.327459 9.403380 8.802907 2.516680 7.221100 2.517776 10.590936 0.000000 7.154279 6.093694 7.794528 5.448034 7.429193 6.379346 7.255617 7.361402 7.916473 3.954956 8.431302 6.239815 7.752135 7.758037 7.057761 3.446414 9.153834 3.443758 8.724019 7.642733 8.398496 8.308364 7.607266 2.183477 9.587296 2.183317 8.887233 1.095796 6.533965 8.272726 8.027691 7.958254 8.900811 5.911767 7.757352 8.537431 6.151020 4.345309 9.924043 4.343783 9.399508 8.331839 8.857921 9.403255 7.206961 2.516681 10.614456 2.517874 9.462977 0.000000 C26H22O2 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 0 344.27699999999976 AuxInfo=1/0/N:27,28,23,25,24,26,19,20,21,22,15,17,16,18,11,12,13,14,7,8,9,10,3,4,5,6,1,2/E:(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)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.3,18.3,21.3,22.3,23.3,24.3,25.3,26.3/rA:50OOC3C3C3C3CCC3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHH/rB:;;;s1s3;s2s4;s1;s2s7;s3;s4;s3;s4;s5;s6;s9;s10;s9;s10;s11;s12;s13s19;s14s20;s15;s16;s17;s18;s23s25;s24s26;s7;s7;s8;s8;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2358188 0.1013159 0.0953466 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= 22578 NPrTT= 116094 LenC2= 18792 LenP2D= 56981. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 324 RedAO= T EigKep= 6.59D-04 NBF= 324 NBsUse= 324 1.00D-06 EigRej= -1.00D+00 NBFU= 324 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= 312 312 312 312 312 MxSgAt= 50 MxSgA2= 50. 1 Closed 1 0 1 -1152.49766846258 -1152.62186191654 -0.124193453961 -1152.80521114822 -0.183349231680 -1152.42026030794 0.384950840283 -1152.81582421504 -0.395563907104 -1152.85884900308 -0.043024788039 -1152.85911811082 -0.000269107737 -1152.85914237825 -0.000024267431 -1152.85889313147 0.000249246779 -1152.85890852408 -0.000015392611 -1152.85890136547 0.000007158610 -1152.85891175067 -0.000010385203 -1152.85891199062 -0.000000239950 -1152.85891199368 -0.000000003058 -1152.85891199386 -0.000000000181 -1152.85891199393 -0.000000000066 -1152.85891199391 0.000000000020 -1152.85891199 17 1.146863609446e+03 -7.377276984731e+03 2.729615857395e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. IVT= 338002 IEndB= 338002 NGot= 402653184 MDV= 402437123 LenX= 402437123 LenY= 402331706 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= 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= 402652356 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= 700000000 NMat= 153 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= 153 NMatS0= 153 NMatT0= 0 NMatD0= 153 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 153 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 150 vectors produced by pass 0 Test12= 2.20D-14 1.00D-09 XBig12= 6.36D+02 1.15D+01. AX will form 150 AO Fock derivatives at one time. 150 vectors produced by pass 1 Test12= 2.20D-14 1.00D-09 XBig12= 1.43D+02 1.70D+00. 150 vectors produced by pass 2 Test12= 2.20D-14 1.00D-09 XBig12= 7.02D-01 6.95D-02. 150 vectors produced by pass 3 Test12= 2.20D-14 1.00D-09 XBig12= 2.10D-04 1.11D-03. 102 vectors produced by pass 4 Test12= 2.20D-14 1.00D-09 XBig12= 6.05D-08 1.55D-05. 10 vectors produced by pass 5 Test12= 2.20D-14 1.00D-09 XBig12= 8.50D-12 1.70D-07. 3 vectors produced by pass 6 Test12= 2.20D-14 1.00D-09 XBig12= 3.30D-15 3.82D-09. InvSVY: IOpt=1 It= 1 EMax= 1.07D-14 Solved reduced A of dimension 715 with 153 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 292.28 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 331.863 38.029 303.994 0.512 -0.137 240.992 616.393 81.044 576.358 1.206 -0.210 437.662 (Enter /mnt/data/applications/G09/g09/l716.exe) PT11319.600S 2017-11-28T11:23:30.000+01:00 -18.79542 -18.79540 -9.96838 -9.96823 -9.96810 -9.96809 -9.91702 -9.91700 -9.91262 -9.91260 -9.90941 -9.90933 -9.90827 -9.90824 -9.90548 -9.90546 -9.90189 -9.90185 -9.90049 -9.90048 -9.89993 -9.89991 -9.89930 -9.89929 -9.89830 -9.89827 -9.89545 -9.89544 -0.97945 -0.96803 -0.78700 -0.78349 -0.76478 -0.76372 -0.72432 -0.70363 -0.70059 -0.67425 -0.66724 -0.66585 -0.66280 -0.65116 -0.64456 -0.59832 -0.56470 -0.56211 -0.55296 -0.54099 -0.53051 -0.52388 -0.52193 -0.51980 -0.49155 -0.48941 -0.46060 -0.45876 -0.43547 -0.43480 -0.43143 -0.42144 -0.41341 -0.41103 -0.40139 -0.39898 -0.39287 -0.38937 -0.38885 -0.38329 -0.37489 -0.37174 -0.36771 -0.36310 -0.36286 -0.34224 -0.34134 -0.33367 -0.32939 -0.31991 -0.31725 -0.31433 -0.31183 -0.30724 -0.30548 -0.29302 -0.29185 -0.28122 -0.28103 -0.27566 -0.27501 -0.24316 -0.24309 -0.21852 -0.21837 -0.21198 -0.21052 -0.19059 -0.18717 -0.05722 -0.05710 -0.03133 -0.03049 -0.02881 -0.02817 -0.00818 -0.00738 0.03890 0.05153 0.06970 0.08421 0.08443 0.09164 0.09186 0.10560 0.11066 0.11377 0.11768 0.11833 0.12850 0.13114 0.13122 0.13772 0.13915 0.14063 0.14466 0.14542 0.14861 0.14894 0.15596 0.16245 0.17174 0.17510 0.17693 0.17960 0.19270 0.19333 0.20528 0.21101 0.21261 0.21312 0.21984 0.22094 0.22657 0.22711 0.23804 0.24550 0.24925 0.25003 0.25579 0.25658 0.26643 0.27199 0.27469 0.28259 0.28337 0.28806 0.29044 0.29722 0.29816 0.30613 0.30981 0.31250 0.32091 0.32327 0.33161 0.33496 0.33746 0.33821 0.34290 0.35038 0.35538 0.35792 0.36427 0.36582 0.36721 0.36989 0.37326 0.37602 0.38178 0.38486 0.38714 0.38746 0.39103 0.39389 0.39535 0.39723 0.40662 0.40734 0.41384 0.41439 0.41613 0.41815 0.42201 0.42534 0.42706 0.43251 0.43679 0.44302 0.44779 0.44951 0.46018 0.46027 0.46639 0.46670 0.47507 0.47765 0.47834 0.47987 0.49466 0.51048 0.51150 0.51766 0.51968 0.52826 0.53473 0.55550 0.55872 0.57196 0.59423 0.60663 0.60927 0.61230 0.62529 0.62625 0.62793 0.62924 0.62965 0.63679 0.64172 0.64522 0.65383 0.66317 0.68204 0.68311 0.69524 0.69562 0.73791 0.74037 0.75870 0.75902 0.79161 0.80943 0.83295 0.83382 0.85888 0.87310 0.90707 0.90956 0.91870 0.91957 0.92906 0.92941 0.93896 0.94406 0.95350 0.95683 0.96699 0.97667 0.98646 0.98923 0.99097 1.00249 1.00798 1.02007 1.02390 1.04529 1.07144 1.10016 1.11047 1.11103 1.12407 1.12751 1.13227 1.14345 1.15822 1.16121 1.19009 1.19964 1.22019 1.23404 1.23869 1.24679 1.25203 1.27052 1.30266 1.30755 1.32093 1.33411 1.37695 1.37793 1.44982 1.47027 1.49558 1.50697 1.58459 1.81482 1.81546 22.26461 22.27407 22.44065 22.44335 22.48842 22.53640 22.53846 22.56334 22.57052 22.58021 22.58052 22.60883 22.61107 22.62323 22.66139 22.66431 22.67008 22.67413 22.68633 22.70354 22.72104 22.72173 22.78015 22.78752 22.79159 22.79943 41.56471 41.56989 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 C C C C C C C C C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H -0.277879 -0.277553 0.190519 0.190524 0.226818 0.226908 -0.307265 -0.306847 0.344688 0.344412 -0.373758 -0.373900 -0.360535 -0.359974 -0.354489 -0.354513 -0.411453 -0.411367 -0.260579 -0.260677 -0.245398 -0.245482 -0.237476 -0.237532 -0.238466 -0.238433 -0.249008 -0.249034 0.230059 0.204486 0.229864 0.204531 0.247903 0.247867 0.246704 0.246483 0.249222 0.249293 0.241364 0.241397 0.227932 0.227965 0.226802 0.226766 0.229101 0.228984 0.223084 0.223104 0.227422 0.227418 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 O O C C C C C C C C C C C C C C C C C C C C C C C C C C -0.277879 -0.277553 0.190519 0.190524 0.226818 0.226908 0.127280 0.127548 0.344688 0.344412 -0.125856 -0.126033 -0.113831 -0.113491 -0.105267 -0.105219 -0.170090 -0.169970 -0.032647 -0.032712 -0.018596 -0.018715 -0.008375 -0.008548 -0.015382 -0.015329 -0.021587 -0.021616 0.00000 -4.99053266e-03 -3.55555865e-03 -9.96836426e-01 3.31862608e+02 3.80288534e+01 3.03993565e+02 5.11807936e-01 -1.36855089e-01 2.40991864e+02 -0.0006 -0.0005 -0.0004 5.1104 5.9748 8.6560 12.7080 18.7906 20.1034 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 12.5992 18.6325 19.1475 43.2188 45.0957 65.2687 78.6700 83.1781 94.1992 117.0715 123.7710 153.2214 168.6956 211.7827 215.3489 245.6713 277.0576 282.0240 293.9387 310.5015 335.1452 335.3197 404.5848 405.5921 431.0215 432.7180 436.6887 491.6801 493.6460 530.9976 534.2891 564.1039 564.8931 576.8220 608.6015 608.7692 612.2228 619.7720 622.8298 699.6392 701.5711 716.4641 723.1059 729.8593 730.3333 754.6984 754.8351 775.0361 775.9597 780.9240 781.0640 846.5713 848.5487 849.9942 850.4550 907.4749 914.5921 917.8964 921.3284 935.9964 936.6353 972.1695 972.8432 973.4612 974.0433 987.0880 988.4572 992.3732 993.0508 994.1867 995.0847 1032.7149 1036.5203 1036.5968 1043.0514 1056.0746 1056.7838 1082.8908 1083.3753 1108.4417 1122.8725 1124.2584 1172.6611 1172.7863 1176.6003 1177.2724 1195.6062 1195.6792 1203.0615 1208.9631 1217.8481 1258.6167 1262.6699 1269.4359 1289.0717 1289.9139 1320.5871 1320.9938 1357.7586 1364.6747 1373.2219 1373.3896 1378.0450 1397.3367 1423.1002 1423.7759 1443.3475 1443.5819 1456.3376 1458.0479 1473.7581 1474.5985 1501.1345 1502.1752 1577.0360 1577.5471 1590.1172 1590.5897 1603.0258 1604.5159 1611.7569 1612.3247 2958.0375 2970.1343 3027.7195 3038.4973 3120.1320 3120.2868 3129.0123 3129.0783 3130.7197 3130.8489 3140.0976 3140.2935 3142.9477 3142.9980 3158.1980 3158.3545 3158.8053 3159.4198 3171.2829 3172.3046 3177.3066 3178.5308 5.5794 5.5534 4.9675 4.2894 4.2780 5.2570 5.4078 4.4814 4.0528 3.7865 5.7768 4.9698 3.3290 5.3082 5.0005 2.9136 4.2784 4.0839 5.8957 4.7818 3.9464 4.0554 2.8379 2.8516 3.9708 3.6588 3.7427 3.4998 3.4603 3.9618 3.9984 3.4234 3.4625 7.2476 6.8077 6.8164 5.3337 6.4253 5.2444 1.7231 1.7735 4.9199 4.4461 2.7345 2.7430 1.4540 1.4294 2.2094 2.0507 3.4415 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