Gaussian 09 GINC-KIMIK2080 CBGUSER 000140024 EM64L-G09RevD.01 15-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 224.3207999999999 0 1 AuxInfo=1/0/N:7,8,9,10,11,12,13,14,15,16,5,6,3,4,1,2/E:(1,2,3,4)(5,6,7,8,9,10)(11,12)(13,14)(15,16)/CRV:11.3,12.3/rA:48SiSiCCC3C3CCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s3;s4;s4;s1;s1;s1;s2;s2;s2;s5;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-26875.inp" -scrdir="/scratch/" chk=000140024.chk nprocshared=4 mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000140024 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 28 28 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27.9769284 27.9769284 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 (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 1 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 6 7 7 7 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 3 11 12 13 4 14 15 16 5 7 8 6 9 10 6 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 1.9832 1.8422 1.8422 1.8421 1.9832 1.8421 1.8422 1.8421 1.5307 1.5476 1.5485 1.5305 1.5485 1.5475 1.345 1.0879 1.088 1.0972 1.0959 1.0962 1.0969 1.0961 1.0957 1.0956 1.096 1.097 1.0973 1.0962 1.0959 1.0932 1.0921 1.0948 1.0948 1.0942 1.0939 1.0941 1.0939 1.0949 1.094 1.0948 1.094 1.0941 1.0949 1.0939 1.0949 1.0922 1.0932 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 3 11 11 12 4 4 4 14 14 15 1 1 1 5 5 7 2 2 2 6 6 9 3 3 6 4 4 5 3 3 3 19 19 20 3 3 3 22 22 23 4 4 4 25 25 26 4 4 4 28 28 29 1 1 1 31 31 32 1 1 1 34 34 35 1 1 1 37 37 38 2 2 2 40 40 41 2 2 2 43 43 44 2 2 2 46 46 47 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 11 12 13 12 13 13 14 15 16 15 16 16 5 7 8 7 8 8 6 9 10 9 10 10 6 17 17 5 18 18 19 20 21 20 21 21 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 37 38 39 38 39 39 40 41 42 41 42 42 43 44 45 44 45 45 46 47 48 47 48 48 106.2916 106.3062 106.3183 112.4414 112.4499 112.4377 106.2917 106.3066 106.3202 112.4367 112.4496 112.4405 107.5204 109.775 109.0456 108.0279 114.3728 108.0483 107.5189 109.0386 109.7649 114.3789 108.0362 108.0518 127.1658 114.9784 117.84 127.1719 114.9718 117.8419 110.6079 111.9269 112.4095 107.1179 106.9336 107.562 110.882 111.8131 112.4931 106.4828 107.4429 107.4222 112.5037 111.8104 110.8678 107.4146 107.4511 106.4889 110.6034 112.409 111.934 106.9272 107.1162 107.5675 112.7472 110.6978 110.6923 108.2924 107.2765 106.8941 110.7167 111.8968 111.9044 107.0903 107.1871 107.7969 112.1524 111.9576 110.5826 107.8185 106.9993 107.063 111.9015 110.7075 111.906 107.1836 107.7984 107.0953 112.1453 110.5865 111.9546 107.0132 107.8137 107.061 110.7023 110.7016 112.7492 106.8848 107.2725 108.2888 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 11 11 11 12 12 12 13 13 13 3 3 3 12 12 12 13 13 13 3 3 3 11 11 11 13 13 13 3 3 3 11 11 11 12 12 12 14 14 14 15 15 15 16 16 16 4 4 4 15 15 15 16 16 16 4 4 4 14 14 14 16 16 16 4 4 4 14 14 14 15 15 15 1 1 7 7 8 8 1 1 1 5 5 5 8 8 8 1 1 1 5 5 5 7 7 7 2 2 9 9 10 10 2 2 2 6 6 6 10 10 10 2 2 2 6 6 6 9 9 9 3 3 17 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 3 3 3 3 3 3 3 3 3 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 4 4 4 4 4 4 4 4 4 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 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 6 6 6 6 5 7 8 5 7 8 5 7 8 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 37 38 39 37 38 39 37 38 39 6 9 10 6 9 10 6 9 10 40 41 42 40 41 42 40 41 42 43 44 45 43 44 45 43 44 45 46 47 48 46 47 48 46 47 48 6 17 6 17 6 17 19 20 21 19 20 21 19 20 21 22 23 24 22 23 24 22 23 24 5 18 5 18 5 18 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 4 18 4 18 60.0011 177.2832 -64.5255 179.9927 -62.7252 55.466 -60.0065 57.2756 175.4669 46.9074 -74.5748 167.0798 -69.0174 169.5005 51.1551 162.8512 41.369 -76.9763 177.5299 -63.0877 58.0202 -66.5541 52.8283 173.9362 61.5837 -179.0339 -57.926 61.6331 -59.7239 -179.0215 -54.2946 -175.6517 65.0507 177.572 56.215 -63.0826 -179.9983 55.4728 -62.7126 -60.0119 175.4592 57.2738 59.9935 -64.5354 177.2791 58.0365 177.5337 -63.0778 -57.8864 61.6107 -179.0007 173.9826 -66.5202 52.8683 61.586 -179.0532 -59.7575 177.5 -63.1392 56.1564 -54.3642 64.9965 -175.7078 167.0801 -74.5774 46.9043 51.1512 169.4937 -69.0246 -76.9778 41.3647 162.8464 -121.5868 59.9014 119.9988 -58.513 -0.3418 -178.8536 179.9725 60.6088 -60.5781 -63.063 177.5733 56.3864 61.1649 -58.1988 -179.3857 -179.4717 -60.8003 60.1826 60.1279 178.7993 -60.2177 -60.2013 58.4701 179.453 -121.2406 60.1831 -0.0016 -178.578 120.3533 -58.2231 60.0912 -60.8876 -179.5555 -60.3063 178.715 60.0471 179.3475 58.3688 -60.2991 179.9809 -60.5811 60.6177 -63.0572 56.3808 177.5796 61.1855 -179.3765 -58.1777 -179.4927 -0.9522 -1.0183 177.5222 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 271 288 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 48 48 48 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= 14196 NPrTT= 66860 LenC2= 13024 LenP2D= 39845. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 240 RedAO= T EigKep= 1.71D-03 NBF= 240 NBsUse= 240 1.00D-06 EigRej= -1.00D+00 NBFU= 240 Using GEDIIS/GDIIS optimizer. local minimum Step number 32 out of a maximum of 271 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00066 0.00091 0.00230 0.00231 0.00249 0.00281 0.00286 0.00361 0.00460 0.00902 0.01391 0.01473 0.01533 0.01533 0.01534 0.02171 0.02541 0.03987 0.04771 0.04849 0.04898 0.05080 0.05236 0.05279 0.05286 0.05300 0.05309 0.05383 0.05420 0.05500 0.05512 0.05515 0.05538 0.05632 0.05673 0.05849 0.05892 0.06057 0.06220 0.06241 0.06249 0.06277 0.06318 0.06347 0.06360 0.06370 0.06371 0.06388 0.06634 0.12070 0.13186 0.13843 0.14764 0.14818 0.14908 0.15134 0.15272 0.15357 0.15622 0.15732 0.15838 0.15935 0.15977 0.15999 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16004 0.16017 0.16027 0.16042 0.16055 0.16108 0.16169 0.16186 0.16239 0.16505 0.16770 0.17193 0.21764 0.22655 0.22962 0.23060 0.23061 0.23079 0.23169 0.23462 0.27778 0.27870 0.27878 0.28383 0.29482 0.32377 0.33959 0.33991 0.34021 0.34028 0.34090 0.34105 0.34119 0.34141 0.34147 0.34154 0.34167 0.34206 0.34244 0.34248 0.34256 0.34268 0.34284 0.34306 0.34342 0.34348 0.34357 0.34361 0.34368 0.34374 0.34450 0.34527 0.34581 0.34766 0.34984 0.35059 0.35571 0.35971 0.58434 RFO step: Lambda=-1.76037396D-07. 1 2 0.00143939 0.00000098 0.00000074 0.00000008 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 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 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 3.72829 3.62190 3.62886 3.62476 3.72830 3.62885 3.62478 3.62190 2.87586 2.94676 2.92911 2.87583 2.92911 2.94679 2.57781 2.08175 2.08174 2.09379 2.09066 2.09199 2.09450 2.09059 2.08936 2.08936 2.09059 2.09451 2.09379 2.09199 2.09066 2.08927 2.08943 2.09010 2.09062 2.08978 2.08872 2.08880 2.08959 2.09013 2.08872 2.09062 2.08978 2.08880 2.09013 2.08959 2.09010 2.08943 2.08927 1.90852 1.91709 1.91998 1.90401 1.91058 1.90354 1.91710 1.91993 1.90858 1.90357 1.90398 1.91057 1.88472 1.90675 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-0.00054 -0.00027 -0.00023 -0.00009 -0.00005 -0.00049 -0.00045 -0.00030 -0.00029 -0.00023 -0.00021 -0.00020 -0.00014 0.00002 0.00003 0.00008 0.00107 0.00127 0.00114 0.00104 0.00124 0.00111 0.00077 0.00096 0.00083 -0.00029 -0.00030 -0.00052 -0.00052 -0.00010 -0.00010 0.00035 0.00051 0.00030 0.00033 0.00048 0.00028 0.00001 0.00017 -0.00004 0.00001 0.00007 0.00001 0.00005 0.00011 0.00006 0.00039 0.00045 0.00040 -0.00023 -0.00022 -0.00027 -0.00026 3.72850 3.62184 3.62916 3.62473 3.72849 3.62915 3.62474 3.62184 2.87574 2.94668 2.92906 2.87577 2.92906 2.94668 2.57783 2.08176 2.08176 2.09379 2.09061 2.09201 2.09451 2.09059 2.08938 2.08938 2.09059 2.09451 2.09379 2.09201 2.09061 2.08921 2.08945 2.09007 2.09058 2.08976 2.08874 2.08881 2.08956 2.09014 2.08874 2.09058 2.08975 2.08881 2.09014 2.08956 2.09007 2.08945 2.08921 1.90879 1.91617 1.92024 1.90453 1.91027 1.90372 1.91620 1.92021 1.90881 1.90373 1.90451 1.91027 1.88489 1.90650 1.90351 1.89228 1.97207 1.90374 1.88489 1.90350 1.90651 1.97209 1.89227 1.90372 2.22256 1.99081 2.06968 2.22258 1.99081 2.06966 1.92007 1.94678 1.95163 1.88176 1.87555 1.88521 1.92381 1.93455 1.96388 1.88047 1.87905 1.87907 1.96388 1.93457 1.92380 1.87907 1.87906 1.88046 1.92004 1.95161 1.94682 1.87556 1.88175 1.88521 1.94378 1.93429 1.93181 1.88721 1.88081 1.88377 1.92414 1.94484 1.94548 1.88011 1.88019 1.88655 1.93892 1.94727 1.92718 1.88696 1.88203 1.87905 1.94550 1.92414 1.94483 1.88018 1.88655 1.88011 1.93892 1.92718 1.94727 1.88203 1.88696 1.87905 1.93180 1.93428 1.94380 1.88377 1.88081 1.88721 1.22022 -3.00829 -0.92907 -2.97379 -0.91912 1.16010 -0.87851 1.17616 -3.02780 1.23919 -0.86253 -2.95201 -0.85713 -2.95886 1.23486 -2.93917 1.24229 -0.84718 -3.03112 -0.94442 1.16486 -0.93935 1.14735 -3.02656 1.14676 -3.04973 -0.94045 1.14811 -0.95883 -3.04780 -0.94972 -3.05666 1.13755 -3.03226 1.14398 -0.94499 -2.97412 1.15975 -0.91946 -0.87883 -3.02814 1.17584 1.21989 -0.92942 -3.00863 1.16466 -3.03132 -0.94463 -0.94064 1.14657 -3.04993 -3.02674 -0.93953 1.14716 1.14805 -3.04786 -0.95889 -3.03230 -0.94502 1.14395 -0.94978 1.13750 -3.05672 -2.95192 -0.86245 1.23929 1.23492 -2.95880 -0.85706 -0.84712 1.24234 -2.93910 -1.89128 1.26847 2.32812 -0.79533 0.21572 -2.90773 3.13662 1.04930 -1.06390 -1.09655 3.09932 0.98612 1.05754 -1.02978 3.14021 3.12019 -1.08265 1.02255 1.02383 3.10417 -1.07382 -1.08206 0.99828 3.10348 -1.89155 1.26822 0.21545 -2.90797 2.32783 -0.79559 1.02216 -1.08304 3.11980 -1.07421 3.10377 1.02343 3.10310 0.99790 -1.08244 3.13694 -1.06360 1.04962 -1.09622 0.98642 3.09964 1.05787 3.14052 -1.02945 -3.11895 0.00375 0.00378 3.12647 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000060 0.000014 0.005528 0.001440 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -3.308156e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 1 1 2 2 2 2 3 3 3 4 4 4 5 5 6 7 7 7 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 3 11 12 13 4 14 15 16 5 7 8 6 9 10 6 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 1.9729 1.9166 1.9203 1.9181 1.9729 1.9203 1.9181 1.9166 1.5218 1.5594 1.55 1.5218 1.55 1.5594 1.3641 1.1016 1.1016 1.108 1.1063 1.107 1.1084 1.1063 1.1056 1.1056 1.1063 1.1084 1.108 1.107 1.1063 1.1056 1.1057 1.106 1.1063 1.1059 1.1053 1.1053 1.1058 1.1061 1.1053 1.1063 1.1059 1.1053 1.1061 1.1058 1.106 1.1057 1.1056 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 3 11 11 12 4 4 4 14 14 15 1 1 1 5 5 7 2 2 2 6 6 9 3 3 6 4 4 5 3 3 3 19 19 20 3 3 3 22 22 23 4 4 4 25 25 26 4 4 4 28 28 29 1 1 1 31 31 32 1 1 1 34 34 35 1 1 1 37 37 38 2 2 2 40 40 41 2 2 2 43 43 44 2 2 2 46 46 47 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 11 12 13 12 13 13 14 15 16 15 16 16 5 7 8 7 8 8 6 9 10 9 10 10 6 17 17 5 18 18 19 20 21 20 21 21 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 34 35 36 35 36 36 37 38 39 38 39 39 40 41 42 41 42 42 43 44 45 44 45 45 46 47 48 47 48 48 109.3503 109.8412 110.0067 109.092 109.468 109.0651 109.8416 110.0041 109.3536 109.0663 109.09 109.4675 107.9868 109.2488 109.0785 108.4165 112.9904 109.0607 107.9887 109.0807 109.2495 112.9852 108.4164 109.0612 127.3429 114.0653 118.584 127.3379 114.0666 118.5877 110.0058 111.549 111.8194 107.8167 107.4619 108.0137 110.2182 110.8393 112.5274 107.7395 107.6661 107.6671 112.528 110.8389 110.2182 107.6686 107.6651 107.7387 110.0047 111.8194 111.5501 107.4616 107.8166 108.014 111.3536 110.8441 110.6832 108.134 107.754 107.9363 110.2212 111.4356 111.5018 107.7099 107.7248 108.0899 111.1083 111.5528 110.4278 108.1101 107.8359 107.6554 111.5031 110.2214 111.4345 107.7245 108.0901 107.7096 111.1082 110.4289 111.5523 107.8358 108.1098 107.6554 110.6815 110.8461 111.3541 107.9358 107.7537 108.1339 -DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 11 11 11 12 12 12 13 13 13 3 3 3 12 12 12 13 13 13 3 3 3 11 11 11 13 13 13 3 3 3 11 11 11 12 12 12 14 14 14 15 15 15 16 16 16 4 4 4 15 15 15 16 16 16 4 4 4 14 14 14 16 16 16 4 4 4 14 14 14 15 15 15 1 1 7 7 8 8 1 1 1 5 5 5 8 8 8 1 1 1 5 5 5 7 7 7 2 2 9 9 10 10 2 2 2 6 6 6 10 10 10 2 2 2 6 6 6 9 9 9 3 3 17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 2 2 2 2 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 4 5 5 5 3 3 3 3 3 3 3 3 3 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 4 4 4 4 4 4 4 4 4 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 5 5 5 5 5 5 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 6 6 6 6 6 6 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 6 6 6 5 7 8 5 7 8 5 7 8 31 32 33 31 32 33 31 32 33 34 35 36 34 35 36 34 35 36 37 38 39 37 38 39 37 38 39 6 9 10 6 9 10 6 9 10 40 41 42 40 41 42 40 41 42 43 44 45 43 44 45 43 44 45 46 47 48 46 47 48 46 47 48 6 17 6 17 6 17 19 20 21 19 20 21 19 20 21 22 23 24 22 23 24 22 23 24 5 18 5 18 5 18 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 4 18 4 69.913 -172.3643 -53.2349 -170.3998 -52.6771 66.4523 -50.3377 67.385 -173.4856 71.0479 -49.3792 -169.1132 -49.0995 -169.5266 70.7394 -168.3721 71.2007 -48.5332 -173.6674 -54.1369 66.7406 -53.8227 65.7078 -173.4147 65.6998 -174.7697 -53.8921 65.6778 -55.0343 -174.7096 -54.5017 -175.2138 65.1109 -173.7909 65.497 -54.1783 -170.4492 66.4067 -52.725 -50.387 -173.5311 67.3372 69.8638 -53.2804 -172.4121 66.7271 -173.6803 -54.1507 -53.9035 65.6891 -174.7814 -173.4251 -53.8325 65.6971 65.6763 -174.7106 -55.035 -173.7928 -54.1796 65.4959 -54.5055 65.1076 -175.2168 -169.1079 -49.3744 71.0542 70.7433 -169.5232 -49.0945 -48.5293 71.2042 -168.3671 -108.3468 72.6909 133.3963 -45.566 12.3875 -166.5747 179.7321 60.137 -60.9436 -62.8155 177.5894 56.5087 60.5917 -59.0034 179.9159 178.7122 -62.104 58.5223 58.6011 177.7849 -61.5888 -62.0415 57.1424 177.7687 -108.3608 72.6806 12.3744 -166.5842 133.3804 -45.5782 58.5453 -62.0832 178.7343 -61.5665 177.8051 58.6225 177.7941 57.1657 -62.0169 179.733 -60.9438 60.138 -62.812 56.5112 177.593 60.5892 179.9123 -59.0058 -178.6893 0.2278 0.2316 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 224.3207999999999 AuxInfo=1/0/N:7,8,9,10,11,12,13,14,15,16,5,6,3,4,1,2/E:(1,2,3,4)(5,6,7,8,9,10)(11,12)(13,14)(15,16)/CRV:11.3,12.3/rA:48SiSiCCC3C3CCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s3;s4;s4;s1;s1;s1;s2;s2;s2;s5;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.916711 0.000000 1.983155 5.181794 0.000000 5.183869 1.983195 4.019395 0.000000 2.846712 3.933505 1.530725 2.576677 0.000000 3.936252 2.846583 2.576776 1.530542 1.345013 0.000000 2.899068 6.375266 1.547574 4.879668 2.490856 3.585609 0.000000 2.887043 5.402160 1.548512 4.525525 2.587925 3.001484 2.505553 0.000000 5.404412 2.886949 4.525785 1.548504 3.001554 2.587854 5.161852 5.440893 0.000000 6.378273 2.898846 4.881447 1.547469 3.587910 2.490754 5.459293 5.163203 2.505517 0.000000 1.842162 5.091543 3.062050 5.007618 3.382650 3.971306 4.419647 3.474784 5.396792 6.368314 0.000000 1.842166 7.548800 3.062345 6.822146 4.380325 5.433817 3.468627 3.371727 7.161638 7.871978 3.062358 0.000000 1.842056 6.461641 3.062500 5.535564 3.383302 4.622715 3.407197 4.411719 5.224409 6.779962 3.062421 3.062205 0.000000 7.548871 1.842135 6.820475 3.062064 5.431658 4.379936 7.869365 7.159741 3.371306 3.467895 6.748478 9.259752 7.817816 0.000000 6.461643 1.842193 5.533560 3.062408 4.620456 3.383082 6.776959 5.221970 4.411611 3.406736 5.559207 7.817658 7.429887 3.062275 0.000000 5.090418 1.842052 5.004285 3.062570 3.966975 3.383123 6.364660 5.393376 3.475408 4.419787 3.905275 6.747543 5.558235 3.062389 3.062275 0.000000 3.061338 4.249385 2.221068 2.789828 1.087925 2.087906 2.778212 3.557522 2.604706 3.872930 3.733770 4.710253 2.952894 5.509442 5.283781 4.147104 0.000000 4.253708 3.063705 2.789886 2.220889 2.087992 1.088005 3.869151 2.604591 3.557429 2.775840 4.154623 5.512868 5.287029 4.711432 2.954949 3.737950 3.045588 0.000000 3.892940 6.391115 2.189536 4.747343 2.759524 3.548335 1.097182 2.754803 5.143146 5.013429 5.241561 4.459733 4.412026 7.802386 6.671349 6.688759 3.137784 3.729981 0.000000 3.091784 7.304040 2.205116 5.907781 3.466476 4.539180 1.095874 2.749637 6.238633 6.474873 4.738217 3.026880 3.741234 8.868385 7.574406 7.191786 3.792740 4.675429 1.764244 0.000000 3.098785 6.626102 2.211386 5.035162 2.731719 3.954314 1.096240 3.486849 4.980051 5.683918 4.714794 3.841239 2.961233 7.978232 7.293093 6.530781 2.568513 4.485978 1.762441 1.768519 0.000000 3.885560 5.420566 2.193643 4.392788 2.860427 2.962063 2.751012 1.096932 5.442770 4.699334 4.466146 4.378033 5.242325 7.091040 5.069961 5.771508 3.865789 2.381457 2.544397 3.085936 3.773262 0.000000 3.076327 6.459829 2.204734 5.615136 3.537250 4.087468 2.750494 1.096143 6.474144 6.225405 3.854775 2.909471 4.682268 8.236270 6.202298 6.334402 4.402216 3.683949 3.097871 2.539015 3.772044 1.757013 0.000000 3.080447 4.889109 2.212864 4.420132 2.885062 2.986603 3.486801 1.095728 5.474011 5.177869 3.036627 3.688767 4.742100 6.711052 4.541177 4.767145 3.900913 2.415181 3.774373 3.771850 4.372994 1.767613 1.766743 0.000000 4.891823 3.079571 4.420562 2.212896 2.986139 2.885810 5.177101 5.474238 1.095607 3.486699 4.770917 6.713601 4.544113 3.687131 4.741609 3.036748 2.412797 3.902568 5.385910 6.201576 4.909523 5.691232 6.453784 5.443444 0.000000 6.462058 3.076936 5.615265 2.204609 4.087423 3.537002 6.223899 6.473959 1.096031 2.749587 6.337929 8.238153 6.204804 2.909810 4.682521 3.856396 3.684039 4.401883 6.142466 7.308140 6.008674 6.415448 7.524858 6.453335 1.766469 0.000000 5.422439 3.885442 4.393122 2.193486 2.962839 2.859602 4.697874 5.442812 1.096969 2.751626 5.774416 7.092443 5.072159 4.378090 5.242131 4.466299 2.384295 3.864005 4.591473 5.788375 4.382381 5.376159 6.415687 5.691085 1.767638 1.757024 0.000000 6.395058 3.892834 4.750387 2.189459 3.552300 2.759406 5.014528 5.145603 2.754921 1.097280 6.693173 7.805853 6.675371 4.459147 4.411578 5.241944 3.736650 3.134229 4.430151 6.032344 5.168388 4.593894 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5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 H 1S 2S 18 H 1S 2S 19 H 1S 2S 20 H 1S 2S 21 H 1S 2S 22 H 1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 H 1S 2S 47 H 1S 2S 48 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 1 Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 H 1S|2S|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S|47 H 1S|2S|48 H 1S|2S 0.74953 1.22055 0.89651 1.08402 0.79666 0.25948 1.97581 1.97485 1.97634 0.00984 0.01041 0.00951 0.44596 0.43606 0.45280 0.11120 0.14348 0.08855 0.74953 1.22055 0.89651 1.08402 0.79665 0.25945 1.97581 1.97485 1.97634 0.00984 0.01041 0.00951 0.44597 0.43601 0.45281 0.11099 0.14354 0.08862 1.17434 0.81406 0.69322 0.70614 0.86374 0.88398 0.84257 0.07815 0.12184 -0.02584 1.17434 0.81406 0.69324 0.70584 0.86371 0.88411 0.84258 0.07789 0.12212 -0.02578 1.17443 0.81388 0.74725 0.52460 0.90818 0.76488 0.92193 -0.04482 0.25871 0.13133 1.17443 0.81388 0.74727 0.52448 0.90822 0.76480 0.92196 -0.04479 0.25862 0.13137 1.17426 0.81422 0.72403 0.70295 0.90874 0.87813 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AuxInfo=1/0/N:7,8,9,10,11,12,13,14,15,16,5,6,3,4,1,2/E:(1,2,3,4)(5,6,7,8,9,10)(11,12)(13,14)(15,16)/CRV:11.3,12.3/rA:48SiSiCCC3C3CCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s3;s4;s4;s1;s1;s1;s2;s2;s2;s5;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.590934 0.000000 1.972927 5.113814 0.000000 5.113646 1.972931 4.020025 0.000000 2.839499 3.838263 1.521840 2.587457 0.000000 3.838155 2.839522 2.587529 1.521821 1.364117 0.000000 2.890069 6.336203 1.559358 4.954935 2.499403 3.694092 0.000000 2.879955 5.521514 1.550018 4.495553 2.561484 2.986552 2.532353 0.000000 5.521096 2.879996 4.495298 1.550017 2.986288 2.561392 5.063777 5.352549 0.000000 6.336087 2.890096 4.954936 1.559372 3.693969 2.499398 5.762299 5.064081 2.532372 0.000000 1.916627 4.986601 3.173602 5.137290 3.611229 4.012909 4.523494 3.456281 5.907818 6.321991 0.000000 1.920309 7.465861 3.186198 6.909967 4.482263 5.528449 3.472382 3.619358 7.312841 8.007008 3.125497 0.000000 1.918141 5.755214 3.187661 5.391558 3.408517 4.509602 3.640780 4.524855 5.305505 6.828458 3.131012 3.126208 0.000000 7.465546 1.920304 6.909984 3.186205 5.528300 4.482356 8.006839 7.313476 3.618879 3.472924 6.867426 9.358555 7.434716 0.000000 5.756708 1.918149 5.392801 3.187621 4.510526 3.409002 6.829560 5.306885 4.524907 3.640188 4.654565 7.436959 6.427667 3.126233 0.000000 4.985530 1.916626 5.136647 3.173671 4.012561 3.610754 6.321506 5.907156 3.456906 4.523629 4.383124 6.866381 4.652240 3.125454 3.131009 0.000000 3.172972 4.079615 2.212873 2.824630 1.101613 2.124222 2.680807 3.532422 2.618433 4.066777 4.180553 4.814351 3.093689 5.602316 5.130645 3.952311 0.000000 4.079548 3.172915 2.824802 2.212871 2.124259 1.101611 4.067052 2.618868 3.532375 2.680901 3.952272 5.602833 5.129771 4.814733 3.093999 4.179708 3.096913 0.000000 3.890225 6.482563 2.200321 4.862000 2.765457 3.714654 1.107987 2.776409 4.954988 5.399851 5.357298 4.498546 4.635367 8.025820 7.009027 6.748972 2.983591 4.043503 0.000000 3.076304 7.272745 2.218750 5.978794 3.478206 4.634938 1.106329 2.786169 6.160070 6.750071 4.762431 2.989767 4.013836 9.004493 7.595767 7.191602 3.725802 4.851055 1.789335 0.000000 3.088221 6.458261 2.222694 5.109825 2.741120 4.054290 1.107036 3.514179 4.900134 6.069794 4.861529 3.764867 3.200532 8.047831 7.212624 6.211627 2.460379 4.662315 1.785858 1.790805 0.000000 3.883511 5.658511 2.195105 4.368672 2.813221 2.985342 2.789533 1.108363 5.238761 4.618607 4.474921 4.623522 5.365227 7.304691 5.494557 6.340945 3.769183 2.539109 2.573546 3.150666 3.809267 0.000000 3.072744 6.570310 2.201476 5.595648 3.516790 4.081712 2.757541 1.106295 6.396821 6.150441 3.765144 3.166676 4.843848 8.389388 6.252078 6.833406 4.379255 3.702039 3.098863 2.550873 3.788652 1.788733 0.000000 3.063893 5.033637 2.222198 4.354176 2.870343 2.912824 3.519659 1.105639 5.447552 4.916631 2.967731 3.971364 4.773858 6.847717 4.500388 5.488305 3.931463 2.268102 3.810941 3.806963 4.401170 1.787367 1.785707 0.000000 5.032886 3.064169 4.353561 2.222208 2.912291 2.870076 4.915890 5.447196 1.105643 3.519693 5.488931 6.846563 4.498634 3.970955 4.774355 2.968680 2.267397 3.931227 5.025474 5.982175 4.575258 5.539522 6.427894 5.558016 0.000000 6.569795 3.072588 5.595403 2.201469 4.081448 3.516718 6.150158 6.396904 1.106292 2.757741 6.834031 8.388675 6.250413 3.165890 4.843526 3.765765 3.701560 4.379260 5.989282 7.250674 5.950603 6.229868 7.458644 6.428346 1.785726 0.000000 5.658367 3.883549 4.368609 2.195104 2.985273 2.813277 4.618512 5.238858 1.108364 2.789343 6.341668 7.304213 5.493818 4.623011 5.365267 4.475580 2.538890 3.769260 4.326806 5.722410 4.431843 4.979680 6.229839 5.539950 1.787359 1.788722 0.000000 6.482341 3.890239 4.861870 2.200318 3.714410 2.765408 5.399742 4.955140 2.776393 1.107987 6.749228 8.025782 7.008070 4.498979 4.634873 5.357419 4.043090 2.983689 4.849682 6.377299 5.727683 4.326814 5.989357 5.026052 3.810835 3.099129 2.573295 0.000000 6.458269 3.088253 5.109938 2.222705 4.054244 2.741139 6.069919 4.900563 3.514192 1.107034 6.212027 8.048357 7.211611 3.765768 3.199787 4.861395 4.662138 2.460496 5.727900 6.961598 6.541824 4.432011 5.951069 4.576131 4.401199 3.788815 3.809107 1.785853 0.000000 7.272623 3.076361 5.978782 2.218777 4.634815 3.478208 6.750017 6.160378 2.786228 1.106328 7.192252 9.004602 7.594545 2.990381 4.013019 4.762882 4.850758 3.725890 6.377345 7.769667 6.961400 5.722500 7.250962 5.982950 3.807140 2.551134 3.150416 1.789334 1.790806 0.000000 2.537509 5.510272 3.481169 5.619326 4.132380 4.394034 4.834492 3.265277 6.575102 6.608206 1.105593 3.254697 4.090399 7.387678 4.826543 5.195409 4.885556 4.057632 5.586393 4.926846 5.377099 4.277713 3.395112 2.598716 6.297792 7.508448 6.958218 7.005249 6.326865 7.532125 0.000000 2.530633 3.916104 3.288191 4.274538 3.253341 3.344392 4.767022 3.601978 5.137141 5.475001 1.105679 4.084287 3.439840 5.782352 3.605500 3.407465 3.839805 3.312951 5.465588 5.225751 5.074163 4.461342 4.189624 2.978442 4.777709 5.985882 5.703667 6.026845 5.367254 6.274041 1.790476 0.000000 2.528681 5.558913 4.133551 5.954536 4.529365 4.965045 5.363286 4.523907 6.616871 7.222035 1.106031 3.426579 3.247332 7.356787 5.251140 4.632399 4.935593 4.978897 6.278384 5.533910 5.561496 5.563752 4.731532 4.054811 6.066898 7.487106 7.123959 7.711502 7.143022 8.023509 1.786447 1.788589 0.000000 2.525891 7.952593 4.145614 7.626119 5.314272 6.308801 4.524839 4.574967 8.024892 8.803853 3.274285 1.106308 3.375782 9.835243 7.861314 7.152671 5.590261 6.382480 5.576150 4.067263 4.699478 5.624862 4.133743 4.754826 7.465579 9.067713 8.115602 8.914350 8.827329 9.766724 3.424410 4.328146 3.212217 0.000000 2.542182 7.754366 3.351105 7.150151 4.778768 5.682760 3.688161 3.288909 7.728277 8.086310 3.393605 1.105865 4.095304 9.667625 7.500367 7.383722 5.309033 5.554179 4.563840 3.064826 4.253700 4.255166 2.568741 3.606833 7.399072 8.815045 7.686568 8.069092 7.997529 9.133097 3.156413 4.350116 3.841562 1.786388 0.000000 2.542681 8.062433 3.459015 7.308238 4.764332 5.955413 3.237349 4.073709 7.525539 8.391235 4.093281 1.105303 3.295617 9.914040 8.220520 7.449720 4.926472 6.147569 4.253060 2.576940 3.360732 4.939597 3.580927 4.657162 7.038041 8.609515 7.378839 8.288802 8.535561 9.383117 4.310588 4.967373 4.395659 1.786104 1.789892 0.000000 2.535383 4.901722 3.445688 4.693856 3.166824 4.073409 4.081974 4.808216 4.512605 6.205728 3.301004 4.091776 1.105346 6.479483 5.783569 3.669992 2.710365 4.817707 4.933467 4.684058 3.613162 5.551532 5.341170 4.936406 3.617941 5.374488 4.855335 6.490655 6.661788 6.866719 4.357188 3.249736 3.437325 4.354239 4.973430 4.342364 0.000000 2.541716 6.384353 3.362339 5.737521 3.629411 4.880436 3.319894 4.814174 5.427875 7.112414 4.099658 3.393451 1.105762 7.988516 7.216108 5.382722 3.104566 5.591249 4.278620 3.666400 2.606613 5.534830 5.073835 5.283400 4.627645 6.378135 5.416573 7.138060 7.599159 7.873834 4.974081 4.416767 4.299552 3.775602 4.380910 3.192966 1.790072 0.000000 2.526574 6.462913 4.148893 6.336135 4.461045 5.489154 4.601047 5.357499 6.266793 7.805710 3.379968 3.280208 1.106050 8.111948 7.035276 5.145888 4.179823 6.043114 5.642650 4.806574 4.167324 6.281795 5.551348 5.513587 5.396503 7.156607 6.528515 8.050319 8.148179 8.543517 4.331504 3.838136 3.128774 3.157380 4.325344 3.492765 1.787195 1.785476 0.000000 8.062572 2.542693 7.308599 3.458921 5.955439 4.764624 8.391323 7.526675 4.072874 3.237739 7.451194 9.914666 8.218645 1.105302 3.295757 4.093265 6.147073 4.927255 8.289028 9.383356 8.535199 7.379751 8.610779 7.039825 4.656486 3.579602 4.938661 4.253329 3.361833 2.577048 7.846359 6.369959 8.032890 10.455578 10.121583 10.478686 7.320909 8.748684 8.953642 0.000000 7.952328 2.525889 7.626163 4.145634 6.308719 5.314332 8.803733 8.025471 4.574697 4.525240 7.153785 9.835320 7.859092 1.106309 3.375717 3.274315 6.382132 5.590495 8.914420 9.766642 8.826899 8.115989 9.068407 7.466617 4.754700 4.133210 5.624542 5.576492 4.700130 4.067738 7.681187 6.056686 7.504852 10.207069 10.169577 10.455011 6.877185 8.502563 8.415994 1.786100 0.000000 7.753400 2.542162 7.149725 3.351206 5.682258 4.778723 8.085693 7.728569 3.288385 3.689173 7.384230 9.666759 7.497404 1.105864 4.095324 3.393444 5.553212 5.309343 8.068814 9.132495 7.996477 7.686872 8.815325 7.399888 3.606093 2.568049 4.254645 4.564721 4.254995 3.066250 8.006310 6.339120 7.860326 10.168601 10.059484 10.120021 6.491987 7.931750 8.199873 1.789893 1.786385 0.000000 4.903737 2.535390 4.695346 3.445624 4.074583 3.167245 6.207104 4.513889 4.808475 4.081161 3.672656 6.482256 5.784354 4.091797 1.105348 3.301029 4.819005 2.710227 6.491757 6.868196 6.663224 4.855805 5.376115 3.619416 4.937177 5.341082 5.551816 4.932748 3.611939 4.683135 3.746956 2.689729 4.316462 6.879959 6.495328 7.323396 5.287237 6.625312 6.351726 4.342480 4.354202 4.973433 0.000000 6.464318 2.526595 6.337271 4.148873 5.489975 4.461436 7.806727 6.268076 5.357560 4.600598 5.148224 8.114183 7.035106 3.280268 1.106050 3.379951 6.043921 4.180044 8.051210 8.544658 8.149107 6.529193 7.158230 5.398103 5.514107 5.551029 6.281840 5.642261 4.166779 4.805918 5.317585 4.107481 5.556197 8.418238 8.202904 8.955463 6.350729 7.900066 7.516096 3.492986 3.157338 4.325364 1.787195 0.000000 6.386250 2.541715 5.739168 3.362283 4.881559 3.630189 7.113847 5.429927 4.814004 3.319140 5.385332 7.991364 7.216377 3.393464 1.105763 4.099653 5.592124 3.105524 7.139314 7.875488 7.600378 5.417937 6.380504 4.630274 5.283665 5.073222 5.534612 4.278003 2.605826 3.665166 5.402469 4.406245 6.091864 8.505372 7.935426 8.751182 6.624705 7.934439 7.900524 3.193092 3.775488 4.380970 1.790070 1.785476 0.000000 5.558125 2.528658 5.954087 4.133585 4.964867 4.528971 7.221716 6.616327 4.524458 5.363324 4.632625 7.356088 5.249101 3.426541 3.247267 1.106033 4.979113 4.934774 7.711358 8.023026 7.142812 7.123287 7.486642 6.066338 4.055736 4.732030 5.564352 6.278420 5.561260 5.534234 5.393626 3.666359 4.682050 7.504076 7.860200 8.031758 4.314072 6.089560 5.554090 4.395676 3.212243 3.841399 3.437295 3.128690 4.299484 0.000000 3.914892 2.530660 4.273755 3.288273 3.344090 3.252736 5.474549 5.136064 3.602846 4.767001 3.407017 5.781124 3.603560 4.084264 3.439894 1.105680 3.313406 3.838609 6.026592 6.273351 5.367099 5.702581 5.984844 4.776461 2.979757 4.190458 4.462303 5.465569 5.073750 5.226059 4.310265 2.534807 3.665799 6.055414 6.338245 6.368462 2.687626 4.404224 4.105578 4.967382 4.328183 4.349973 3.249823 3.838165 4.416830 1.788585 0.000000 5.508458 2.537515 5.618220 3.481313 4.393302 4.131813 6.607228 6.574160 3.265975 4.834947 5.194884 7.385658 4.823233 3.254615 4.090394 1.105592 4.057143 4.884765 7.004657 7.530939 6.325867 6.957377 7.507439 6.296964 2.599542 3.396007 4.278454 5.586824 5.377306 4.927738 6.093314 4.310403 5.392813 7.679055 8.004885 7.843795 3.743436 5.398728 5.314158 4.310502 3.424422 3.156191 4.357219 4.331471 4.974076 1.786444 1.790474 0.000000 0.6512314 0.2301334 0.2107682 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= 232 232 232 232 232 MxSgAt= 48 MxSgA2= 48. 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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 48 48 48 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= 14196 NPrTT= 66860 LenC2= 13017 LenP2D= 39639. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 240 RedAO= T EigKep= 1.74D-03 NBF= 240 NBsUse= 240 1.00D-06 EigRej= -1.00D+00 NBFU= 240 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= 232 232 232 232 232 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 0 1 -1129.83064864061 -1130.07608588004 -0.245437239430 -1130.55062662175 -0.474540741713 -1130.55134062214 -0.000714000389 -1130.55552927992 -0.004188657781 -1130.55560603786 -0.000076757936 -1130.55560780341 -0.000001765556 -1130.55550024347 0.000107559942 -1130.55550173803 -0.000001494559 -1130.55550112318 0.000000614848 -1130.55550223507 -0.000001111893 -1130.55550224638 -0.000000011303 -1130.55550224670 -0.000000000322 -1130.55550224672 -0.000000000024 -1130.55550225 14 1.126461465356e+03 -5.612487431852e+03 1.877841078999e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 194326 IEndB= 194326 NGot= 402653184 MDV= 402533339 LenX= 402533339 LenY= 402475298 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Integral accuracy reduced to 1.0D-05 until final iterations. 1.63040715e-04 -3.39163727e-01 4.55176604e-04 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 14 14 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.021322195 0.033372335 -0.013888923 0.021246276 0.033434353 0.013754617 -0.002028655 -0.002644620 0.001809342 0.001983005 -0.002671852 -0.001779627 0.017789571 -0.000385222 -0.003837736 -0.017744335 -0.000428348 0.003768195 0.000609876 -0.000115378 0.001753014 -0.003656085 -0.000239705 0.005147750 0.003692554 -0.000156714 -0.005191504 -0.000586017 -0.000026034 -0.001692424 -0.003664367 -0.019094586 -0.000754098 0.018525638 -0.004767490 -0.005364540 0.005189278 -0.004825747 0.019047612 -0.018573764 -0.004769446 0.005235262 -0.005187029 -0.004840860 -0.018987410 0.003704369 -0.019154243 0.000745255 0.002378894 0.000421092 0.009063891 -0.002373718 0.000445485 -0.009010669 -0.004267848 0.005259920 -0.002573481 0.007054883 -0.000508067 -0.002917437 0.000034000 -0.000051504 0.006737732 -0.004699148 0.006255792 -0.002027921 0.006460477 0.000059550 -0.000279676 -0.003811899 -0.005599521 -0.002327638 0.003864894 -0.005654469 0.002361764 -0.006525991 0.000062452 0.000303838 0.004692652 0.006228547 0.002025659 0.004220449 0.005229630 0.002557986 -0.000046206 -0.000057265 -0.006767188 -0.007017260 -0.000523329 0.002900900 -0.002163167 0.001296700 -0.006630348 -0.006774253 -0.000377080 0.003253680 0.003170141 -0.008304996 -0.000225011 0.006396758 -0.005798703 0.001383801 -0.000606628 -0.000401079 -0.006887328 0.003642190 0.006010706 0.001508312 -0.006372787 0.000268151 0.002389934 0.003451614 0.005884516 0.001820807 0.003963771 -0.005716165 0.005337925 -0.003628450 0.005966997 -0.001504464 -0.006389402 -0.005799155 -0.001369355 0.000617015 -0.000404206 0.007005185 0.006374987 0.000263756 -0.002388158 -0.003936183 -0.005726374 -0.005337945 -0.003475700 0.005890611 -0.001823087 -0.003152796 -0.008251852 0.000231421 0.006766787 -0.000355180 -0.003249269 0.002173804 0.001298596 0.006671352 0.033434353 0.007703736 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1130.57680861933 -1130.57683069355 -0.000022074216 -1130.57683064608 0.000000047475 -1130.57683072674 -0.000000080664 -1130.57683072694 -0.000000000197 -1130.57683072762 -0.000000000679 -1130.57683072766 -0.000000000041 -1130.57683073 7 1.125337941993e+03 -5.586259108460e+03 1.865177492974e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. IVT= 194326 IEndB= 194326 NGot= 402653184 MDV= 402533339 LenX= 402533339 LenY= 402475298 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 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 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 -65.427740 -65.427738 -9.896483 -9.896480 -9.885326 -9.884837 -9.880071 -9.880068 -9.878802 -9.878799 -9.865897 -9.865896 -9.865324 -9.865321 -9.863762 -9.863759 -5.048474 -5.048467 -3.458956 -3.458955 -3.458778 -3.458777 -3.458727 -3.458723 -0.734004 -0.709067 -0.641894 -0.633521 -0.633095 -0.612885 -0.610436 -0.604162 -0.603923 -0.600852 -0.600604 -0.550586 -0.494401 -0.455653 -0.425861 -0.415468 -0.394871 -0.394574 -0.377920 -0.375131 -0.362645 -0.360722 -0.359685 -0.356126 -0.351603 -0.345887 -0.343082 -0.342175 -0.336921 -0.336821 -0.335263 -0.333828 -0.332319 -0.329350 -0.325409 -0.324658 -0.316148 -0.302909 -0.292109 -0.291587 -0.274744 -0.256065 -0.254433 -0.253847 -0.253047 -0.243892 -0.235688 -0.180816 -0.009346 0.042602 0.059062 0.071404 0.071560 0.078357 0.080686 0.081375 0.089260 0.097999 0.099103 0.106941 0.111283 0.117163 0.121889 0.123929 0.128652 0.135704 0.138334 0.142309 0.144399 0.145831 0.151110 0.156328 0.159484 0.163903 0.167979 0.169917 0.172769 0.178496 0.178775 0.184169 0.188649 0.194091 0.194614 0.205396 0.205734 0.213460 0.215996 0.221585 0.221708 0.225778 0.231645 0.240145 0.244735 0.246751 0.252785 0.257550 0.264014 0.272986 0.275823 0.276968 0.285769 0.288561 0.292383 0.299563 0.301298 0.312176 0.329260 0.337638 0.339803 0.342590 0.356677 0.361082 0.367887 0.375098 0.376719 0.388171 0.393480 0.394934 0.403921 0.413410 0.418637 0.430849 0.432213 0.439564 0.443325 0.451139 0.485365 0.490441 0.510192 0.525737 0.527807 0.536890 0.547133 0.554090 0.560002 0.581500 0.594179 0.605552 0.614945 0.621844 0.659907 0.666368 0.694009 0.700938 0.739698 0.750894 0.846178 0.881099 0.905300 0.905448 0.920474 0.921007 0.924694 0.929531 0.952634 0.967640 0.968178 1.003626 1.003664 1.025289 1.034325 1.044713 1.047735 1.066297 1.074919 1.087531 1.090442 1.094651 1.104640 1.113928 1.125434 1.144538 1.144667 1.155412 1.159221 1.183817 1.186071 1.188202 1.201546 1.208079 1.209599 1.226095 1.234050 1.247143 1.252379 1.282989 1.284921 1.307899 1.344450 1.382462 1.411160 1.550858 5.052073 5.064168 5.073403 5.076114 5.085107 5.094788 5.670788 5.709917 22.470692 22.578290 22.589152 22.605142 22.607174 22.618659 22.621817 22.637435 22.642870 22.657511 22.665768 22.690205 22.728888 22.799146 143.027373 143.069588 92.155190 92.155236 15.959689 15.959979 15.953909 15.956301 15.956943 15.957144 15.956579 15.956882 15.956222 15.956222 15.956079 15.956083 15.955882 15.956013 13.056877 13.056901 12.093654 12.093630 12.093368 12.093401 12.093071 12.093435 1.370333 1.337678 1.438935 1.293372 1.325409 1.290758 1.314314 1.311450 1.316505 1.335828 1.344683 1.398619 1.429341 1.236991 1.145433 1.245061 1.032191 1.066314 1.023712 1.009137 0.976623 0.889113 0.919950 0.924672 0.933947 0.983898 1.010182 1.017037 0.995219 0.985872 0.999208 1.011665 0.988785 1.039694 1.032187 1.043767 1.113343 1.192029 1.206372 1.219083 1.267951 1.315577 1.312620 1.324769 1.327342 1.303613 1.343709 1.345991 1.420837 1.043960 1.090807 1.120574 1.118751 1.197932 1.153278 1.233805 1.246501 1.088662 0.895051 1.252973 1.349137 1.327754 1.209540 0.872798 0.996394 1.103010 0.890421 0.876541 1.011700 1.220118 1.037796 0.918905 1.144558 1.208324 1.101404 1.084029 1.286272 1.062739 1.035918 1.055108 1.114812 1.089384 1.097337 1.310288 1.248849 1.049750 1.048029 1.313592 1.212452 1.360501 1.347210 1.435624 1.414629 1.311633 1.381263 1.585107 1.349898 1.533692 1.530785 1.504295 1.605262 1.594193 1.392883 1.667036 1.504576 1.440512 1.540189 1.482003 1.212458 1.482459 1.551756 1.433986 1.198076 1.749691 1.686630 1.536002 1.550033 1.475148 1.664180 1.919742 1.701361 2.106395 2.277786 2.143672 1.707604 2.047235 2.201644 2.163044 2.115095 2.410290 1.834338 2.220491 2.139813 2.179574 2.111730 2.303854 2.418204 1.985333 2.077660 2.071037 1.736567 2.095233 2.101758 2.061581 2.023228 2.641183 2.675044 2.888697 3.011349 3.162226 2.888408 2.864955 3.114586 2.831349 2.938069 3.118104 3.133069 2.813186 2.857806 2.674761 2.648112 2.617196 2.730594 2.841962 2.625310 2.680369 2.618711 2.583604 2.690187 2.660465 2.628154 2.690145 2.610378 2.828708 2.620334 2.643253 2.696192 2.699187 2.650120 2.682821 2.701090 2.657946 2.788466 2.638499 2.658439 2.645059 2.707439 2.774251 2.816796 2.890724 3.126546 3.060481 9.713139 9.697310 9.845722 9.910174 9.725481 9.705767 22.083787 22.007911 57.406472 57.402046 57.394148 57.397447 57.391845 57.393046 57.396721 57.396473 57.391936 57.396894 57.396268 57.397690 57.385623 57.395063 369.906746 369.953272 1.125337941993D+03 PT17060S 2017-07-15T04:21:31.000+02:00 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 Si Si C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H 1.358437 1.358583 -0.152191 -0.152109 -0.200374 -0.200227 -0.738808 -0.790200 -0.790215 -0.738983 -1.080307 -1.080478 -1.083570 -1.080523 -1.083572 -1.080443 0.246644 0.246609 0.226487 0.213356 0.218889 0.220502 0.225550 0.215447 0.215398 0.225579 0.220622 0.226470 0.218903 0.213390 0.239094 0.261662 0.236541 0.238558 0.246990 0.243935 0.247732 0.246201 0.239774 0.243909 0.238543 0.247084 0.247838 0.239742 0.246159 0.236582 0.261731 0.239058 0.00000 -9.88484 -9.88007 -9.88007 -9.87880 -9.87880 -9.86590 -9.86590 -9.86532 -9.86532 -9.86376 -9.86376 -5.04847 -5.04847 -3.45896 -3.45895 -3.45878 -3.45878 -3.45873 -3.45872 -0.73400 -0.70907 -0.64189 -0.63352 -0.63310 -0.61288 -0.61044 -0.60416 -0.60392 -0.60085 -0.60060 -0.55059 -0.49440 -0.45565 -0.42586 -0.41547 -0.39487 -0.39457 -0.37792 -0.37513 -0.36265 -0.36072 -0.35969 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0.07288 0.39739 -0.23816 0.15055 -0.14285 -0.03925 -0.26634 -0.08026 0.05238 -0.06303 -0.00160 0.12960 -0.41605 0.15413 -0.24013 0.30741 0.21096 -0.01340 -0.17165 0.15467 -0.08250 0.07281 -0.12827 -0.52195 -0.24457 -0.67961 -0.53296 -0.61906 -0.44855 -0.45763 -0.83313 0.45540 -0.59695 -0.94572 0.00743 0.48861 -0.04651 -0.53596 0.15283 0.68661 0.45210 -0.05927 0.22772 -0.12763 0.54751 -0.25131 0.29704 -0.43863 -0.35626 0.00576 -1.30776 -0.11816 -0.24537 -0.28364 0.84552 0.12575 -0.65785 0.04341 0.08953 -0.01347 0.15036 -0.31558 -0.06853 0.34637 0.03267 -0.17966 0.02319 0.09439 0.05818 -0.08876 0.17291 -0.10573 -0.08845 0.02202 0.01628 0.01161 -0.06942 -0.02307 -0.03970 -0.09052 0.07811 0.04221 0.00329 -0.02360 -0.01196 0.01407 -0.01064 -0.02362 -0.02142 1 Si 1S 2S 3S 4S 5S 6S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 2 Si 1S 2S 3S 4S 5S 6S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 3 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 4 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 5 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 6 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 7 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 8 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 9 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 10 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 11 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 12 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 13 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 14 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 15 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 16 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 17 H 1S 2S 18 H 1S 2S 19 H 1S 2S 20 H 1S 2S 21 H 1S 2S 22 H 1S 2S 23 H 1S 2S 24 H 1S 2S 25 H 1S 2S 26 H 1S 2S 27 H 1S 2S 28 H 1S 2S 29 H 1S 2S 30 H 1S 2S 31 H 1S 2S 32 H 1S 2S 33 H 1S 2S 34 H 1S 2S 35 H 1S 2S 36 H 1S 2S 37 H 1S 2S 38 H 1S 2S 39 H 1S 2S 40 H 1S 2S 41 H 1S 2S 42 H 1S 2S 43 H 1S 2S 44 H 1S 2S 45 H 1S 2S 46 H 1S 2S 47 H 1S 2S 48 H 1S 2S 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 1 Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|2 Si 1S|2S|3S|4S|5S|6S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|3 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|4 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|5 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|6 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|7 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|8 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|9 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|10 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|11 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|12 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|13 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|14 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|15 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|16 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|17 H 1S|2S|18 H 1S|2S|19 H 1S|2S|20 H 1S|2S|21 H 1S|2S|22 H 1S|2S|23 H 1S|2S|24 H 1S|2S|25 H 1S|2S|26 H 1S|2S|27 H 1S|2S|28 H 1S|2S|29 H 1S|2S|30 H 1S|2S|31 H 1S|2S|32 H 1S|2S|33 H 1S|2S|34 H 1S|2S|35 H 1S|2S|36 H 1S|2S|37 H 1S|2S|38 H 1S|2S|39 H 1S|2S|40 H 1S|2S|41 H 1S|2S|42 H 1S|2S|43 H 1S|2S|44 H 1S|2S|45 H 1S|2S|46 H 1S|2S|47 H 1S|2S|48 H 1S|2S 0.74955 1.22053 0.89696 1.08396 0.79530 0.32303 1.97420 1.97395 1.97457 0.01066 0.01096 0.01039 0.43189 0.42563 0.43799 0.12298 0.14459 0.11682 0.74955 1.22053 0.89696 1.08396 0.79531 0.32304 1.97421 1.97395 1.97457 0.01066 0.01096 0.01039 0.43190 0.42562 0.43799 0.12295 0.14460 0.11682 1.17434 0.81407 0.69342 0.71442 0.85967 0.88808 0.84208 0.07341 0.15764 -0.01343 1.17434 0.81407 0.69342 0.71442 0.85964 0.88812 0.84207 0.07330 0.15775 -0.01349 1.17445 0.81391 0.74716 0.53427 0.90254 0.76090 0.91771 -0.04714 0.26170 0.09742 1.17445 0.81391 0.74716 0.53427 0.90256 0.76090 0.91770 -0.04708 0.26173 0.09751 1.17429 0.81425 0.72285 0.71114 0.90106 0.88328 0.90404 0.21263 0.18686 0.20893 1.17427 0.81424 0.72223 0.71948 0.91754 0.91409 0.86619 0.24288 0.23240 0.15234 1.17427 0.81424 0.72223 0.71949 0.91754 0.91406 0.86622 0.24288 0.23239 0.15237 1.17429 0.81425 0.72285 0.71114 0.90102 0.88333 0.90403 0.21257 0.18696 0.20889 1.17417 0.81440 0.70079 0.84608 0.91592 0.91759 0.91471 0.24823 0.26466 0.24828 1.17418 0.81442 0.70209 0.83698 0.93616 0.90275 0.90628 0.29082 0.23661 0.23914 1.17417 0.81441 0.70186 0.84027 0.90584 0.90437 0.93659 0.23483 0.24388 0.28669 1.17418 0.81442 0.70209 0.83698 0.93615 0.90274 0.90629 0.29078 0.23661 0.23917 1.17417 0.81441 0.70186 0.84026 0.90583 0.90437 0.93659 0.23483 0.24389 0.28669 1.17417 0.81440 0.70079 0.84610 0.91596 0.91756 0.91470 0.24828 0.26461 0.24826 0.51734 0.25748 0.51734 0.25744 0.50924 0.26799 0.51207 0.26674 0.51175 0.27767 0.50870 0.26988 0.51166 0.27500 0.51281 0.26419 0.51281 0.26422 0.51167 0.27498 0.50870 0.26989 0.50924 0.26799 0.51175 0.27766 0.51207 0.26677 0.50363 0.26126 0.50369 0.24813 0.50294 0.26259 0.50273 0.26205 0.50374 0.26240 0.50384 0.25930 0.50391 0.25300 0.50369 0.26407 0.50307 0.26062 0.50384 0.25931 0.50273 0.26205 0.50374 0.26240 0.50391 0.25304 0.50307 0.26062 0.50369 0.26406 0.50294 0.26259 0.50370 0.24811 0.50363 0.26128 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 Si Si C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H 1.296016 1.296034 -0.203709 -0.203649 -0.162921 -0.163101 -0.719336 -0.755659 -0.755679 -0.719332 -1.044816 -1.039411 -1.042906 -1.039405 -1.042900 -1.044815 0.225177 0.225225 0.222773 0.221190 0.210584 0.221416 0.213334 0.222998 0.222965 0.213352 0.221414 0.222775 0.210599 0.221166 0.235104 0.248176 0.234468 0.235217 0.233854 0.236861 0.243086 0.232243 0.236309 0.236852 0.235218 0.233859 0.243053 0.236309 0.232253 0.234467 0.248199 0.235091 0.00000 2.92719868e-05 -5.45706273e-02 4.14738405e-05 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.0001 -0.1387 0.0001 0.1387 -118.7387 -121.2945 -120.0205 0.0010 0.0146 0.0006 1.2792 -1.2766 -0.0026 0.0010 0.0146 0.0006 -0.0119 28.4128 0.0068 -0.0023 10.6631 -0.0051 0.0043 17.7552 0.0069 0.3231 -5768.3084 -1606.7501 -1087.6074 -0.7897 164.7035 -0.6851 0.1207 118.2134 0.1324 -1182.7023 -1111.0102 -468.9578 0.0433 48.5702 -0.2327 0 -1130.5768307 7.049E-9 1.721E-5 0.9510558,-0.9491472,-0.0019086,0.0007439,0.0108913,0.0004573 C01 [X(C14H32Si2)] 0.0000293 -0.0545706 0.0000415 @ -0.000064687 -0.000045074 0.000007025 0.000066323 -0.000044121 -0.000006001 0.000027245 0.000059366 0.000007283 -0.000030980 0.000063168 -0.000003620 0.000023401 0.000001915 -0.000023374 -0.000012233 0.000001274 0.000014343 -0.000002485 -0.000016915 -0.000000604 -0.000001072 -0.000009218 0.000003039 -0.000010390 -0.000009108 -0.000001160 0.000005704 -0.000021223 0.000004077 0.000021932 -0.000004738 -0.000010476 0.000048315 -0.000003216 -0.000054159 0.000018344 0.000009950 0.000011531 -0.000047129 -0.000003665 0.000054255 -0.000016772 0.000011968 -0.000011419 -0.000019598 -0.000005130 0.000011153 0.000003779 0.000006272 -0.000000301 0.000001798 0.000006282 -0.000003977 0.000004934 0.000002070 -0.000000994 -0.000010161 -0.000004904 -0.000006020 0.000003601 -0.000001819 -0.000001475 -0.000007525 -0.000001607 -0.000007614 -0.000003886 -0.000010129 -0.000005252 -0.000009044 -0.000001754 -0.000003968 0.000002108 -0.000004689 0.000002514 0.000004249 -0.000008609 0.000007076 0.000009447 -0.000002504 0.000006533 -0.000005208 0.000001764 0.000001946 -0.000002999 -0.000002564 0.000002837 0.000007817 -0.000004478 0.000006719 -0.000021156 -0.000008145 0.000004533 -0.000000309 0.000002803 0.000005153 -0.000005590 0.000004378 0.000004216 0.000007991 0.000013545 -0.000003106 -0.000012538 0.000010637 -0.000001449 -0.000016821 0.000009957 0.000004992 -0.000000034 -0.000003604 -0.000016904 -0.000000950 -0.000004566 0.000001872 -0.000001038 -0.000004995 -0.000013125 0.000016572 0.000011033 -0.000006266 -0.000007089 0.000013905 0.000002415 0.000012432 0.000010690 0.000001393 0.000000191 -0.000004587 0.000017454 0.000001749 -0.000005206 0.000013174 0.000000714 -0.000005838 -0.000001820 0.000005049 0.000004265 -0.000003102 -0.000004411 0.000005341 -0.000006936 0.000020408 -0.000008176 -0.000002415 224.3207999999999 AuxInfo=1/0/N:7,8,9,10,11,12,13,14,15,16,5,6,3,4,1,2/E:(1,2,3,4)(5,6,7,8,9,10)(11,12)(13,14)(15,16)/CRV:11.3,12.3/rA:48SiSiCCC3C3CCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s3;s4;s4;s1;s1;s1;s2;s2;s2;s5;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2033 CBGUSER 000140024 EM64L-G09RevD.01 15-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 138 C1[X(C14H32Si2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 224.3207999999999 0 1 AuxInfo=1/0/N:7,8,9,10,11,12,13,14,15,16,5,6,3,4,1,2/E:(1,2,3,4)(5,6,7,8,9,10)(11,12)(13,14)(15,16)/CRV:11.3,12.3/rA:48SiSiCCC3C3CCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s3;s4;s4;s1;s1;s1;s2;s2;s2;s5;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-29391.inp" -scrdir="/scratch/" chk=000140024-Freq.chk nprocshared=4 mem=7GB #p freq=noraman PBEPBE/SDD 1/10=4,30=1,38=1/1,3 2/12=2,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=2,74=1009,140=1/1,2,3 4//1 5/5=2,38=5,98=1/2 8/6=4,10=90,11=11/1 11/6=1,8=1,9=11,15=111,16=1/1,2,10 10/6=1/2 6/7=2,8=2,9=2,10=2,18=1,28=1/1 7/8=1,10=1,25=1/1,2,3,16 1/10=4,30=1/3 99//99 000140024 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 28 28 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 27.9769284 27.9769284 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 (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| 0.000299 0.000065 0.058028 0.017300 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.175181e-05 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1465.1668879548 240 536 240 72 72 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 48 48 48 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 0 224.3207999999999 AuxInfo=1/0/N:7,8,9,10,11,12,13,14,15,16,5,6,3,4,1,2/E:(1,2,3,4)(5,6,7,8,9,10)(11,12)(13,14)(15,16)/CRV:11.3,12.3/rA:48SiSiCCC3C3CCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s3;s4;s4;s1;s1;s1;s2;s2;s2;s5;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.590933 0.000000 1.972927 5.113813 0.000000 5.113646 1.972931 4.020025 0.000000 2.839498 3.838262 1.521840 2.587457 0.000000 3.838155 2.839522 2.587529 1.521822 1.364116 0.000000 2.890069 6.336202 1.559358 4.954935 2.499403 3.694091 0.000000 2.879955 5.521513 1.550018 4.495553 2.561484 2.986552 2.532353 0.000000 5.521096 2.879996 4.495298 1.550017 2.986288 2.561392 5.063777 5.352549 0.000000 6.336087 2.890096 4.954936 1.559372 3.693969 2.499398 5.762298 5.064080 2.532371 0.000000 1.916627 4.986600 3.173601 5.137290 3.611228 4.012909 4.523494 3.456280 5.907818 6.321990 0.000000 1.920310 7.465860 3.186198 6.909967 4.482263 5.528449 3.472382 3.619358 7.312840 8.007007 3.125497 0.000000 1.918141 5.755213 3.187661 5.391558 3.408517 4.509602 3.640780 4.524856 5.305505 6.828458 3.131012 3.126208 0.000000 7.465546 1.920304 6.909983 3.186205 5.528299 4.482356 8.006838 7.313475 3.618879 3.472925 6.867426 9.358554 7.434715 0.000000 5.756708 1.918148 5.392800 3.187621 4.510525 3.409002 6.829559 5.306885 4.524906 3.640188 4.654565 7.436959 6.427666 3.126232 0.000000 4.985530 1.916626 5.136647 3.173671 4.012561 3.610754 6.321506 5.907156 3.456906 4.523629 4.383124 6.866381 4.652239 3.125453 3.131008 0.000000 3.172972 4.079614 2.212874 2.824629 1.101613 2.124221 2.680807 3.532423 2.618433 4.066776 4.180553 4.814352 3.093690 5.602316 5.130644 3.952311 0.000000 4.079548 3.172914 2.824802 2.212871 2.124259 1.101611 4.067052 2.618868 3.532375 2.680901 3.952272 5.602833 5.129771 4.814733 3.093999 4.179708 3.096913 0.000000 3.890224 6.482562 2.200321 4.862001 2.765457 3.714654 1.107987 2.776409 4.954988 5.399851 5.357297 4.498545 4.635366 8.025819 7.009027 6.748972 2.983591 4.043504 0.000000 3.076304 7.272745 2.218750 5.978795 3.478207 4.634938 1.106329 2.786169 6.160070 6.750071 4.762430 2.989766 4.013836 9.004493 7.595767 7.191602 3.725803 4.851056 1.789335 0.000000 3.088220 6.458260 2.222694 5.109825 2.741119 4.054289 1.107035 3.514179 4.900134 6.069793 4.861529 3.764867 3.200532 8.047830 7.212624 6.211627 2.460379 4.662315 1.785857 1.790805 0.000000 3.883512 5.658510 2.195104 4.368673 2.813221 2.985341 2.789533 1.108363 5.238760 4.618607 4.474921 4.623522 5.365227 7.304690 5.494557 6.340945 3.769183 2.539109 2.573546 3.150667 3.809266 0.000000 3.072745 6.570310 2.201477 5.595649 3.516791 4.081713 2.757542 1.106295 6.396821 6.150442 3.765144 3.166675 4.843848 8.389389 6.252079 6.833407 4.379256 3.702040 3.098864 2.550874 3.788652 1.788733 0.000000 3.063893 5.033637 2.222197 4.354176 2.870343 2.912824 3.519659 1.105639 5.447552 4.916631 2.967731 3.971364 4.773858 6.847717 4.500388 5.488306 3.931463 2.268102 3.810940 3.806964 4.401170 1.787367 1.785707 0.000000 5.032886 3.064169 4.353561 2.222208 2.912291 2.870076 4.915890 5.447196 1.105643 3.519693 5.488931 6.846563 4.498634 3.970954 4.774354 2.968680 2.267396 3.931227 5.025474 5.982176 4.575258 5.539522 6.427895 5.558016 0.000000 6.569795 3.072588 5.595403 2.201468 4.081448 3.516718 6.150157 6.396904 1.106292 2.757741 6.834031 8.388675 6.250413 3.165890 4.843526 3.765766 3.701560 4.379260 5.989282 7.250674 5.950602 6.229868 7.458645 6.428346 1.785726 0.000000 5.658367 3.883548 4.368609 2.195103 2.985273 2.813277 4.618512 5.238858 1.108364 2.789342 6.341668 7.304212 5.493818 4.623011 5.365266 4.475581 2.538890 3.769260 4.326806 5.722410 4.431843 4.979680 6.229839 5.539950 1.787360 1.788722 0.000000 6.482340 3.890238 4.861870 2.200318 3.714410 2.765408 5.399742 4.955139 2.776393 1.107986 6.749227 8.025782 7.008070 4.498979 4.634872 5.357419 4.043090 2.983688 4.849682 6.377299 5.727683 4.326814 5.989357 5.026052 3.810835 3.099129 2.573295 0.000000 6.458269 3.088253 5.109938 2.222706 4.054243 2.741139 6.069919 4.900563 3.514193 1.107034 6.212026 8.048357 7.211611 3.765768 3.199786 4.861395 4.662138 2.460495 5.727900 6.961598 6.541824 4.432011 5.951070 4.576131 4.401199 3.788816 3.809107 1.785853 0.000000 7.272623 3.076361 5.978782 2.218776 4.634814 3.478208 6.750017 6.160377 2.786228 1.106328 7.192251 9.004602 7.594545 2.990380 4.013018 4.762882 4.850757 3.725890 6.377346 7.769668 6.961399 5.722499 7.250962 5.982950 3.807139 2.551134 3.150415 1.789334 1.790807 0.000000 2.537508 5.510271 3.481169 5.619327 4.132379 4.394034 4.834492 3.265277 6.575102 6.608206 1.105592 3.254697 4.090399 7.387677 4.826543 5.195408 4.885556 4.057632 5.586393 4.926846 5.377099 4.277714 3.395112 2.598717 6.297792 7.508448 6.958218 7.005249 6.326865 7.532125 0.000000 2.530633 3.916104 3.288190 4.274538 3.253340 3.344392 4.767022 3.601978 5.137141 5.475001 1.105680 4.084287 3.439840 5.782351 3.605500 3.407464 3.839805 3.312951 5.465588 5.225751 5.074163 4.461342 4.189624 2.978442 4.777709 5.985882 5.703667 6.026845 5.367253 6.274040 1.790476 0.000000 2.528681 5.558912 4.133551 5.954537 4.529364 4.965045 5.363286 4.523907 6.616872 7.222035 1.106032 3.426579 3.247331 7.356787 5.251141 4.632399 4.935593 4.978897 6.278384 5.533910 5.561496 5.563752 4.731532 4.054811 6.066898 7.487106 7.123959 7.711502 7.143022 8.023508 1.786446 1.788589 0.000000 2.525891 7.952593 4.145614 7.626119 5.314272 6.308801 4.524839 4.574967 8.024891 8.803852 3.274285 1.106309 3.375782 9.835243 7.861314 7.152671 5.590261 6.382480 5.576150 4.067263 4.699478 5.624862 4.133743 4.754826 7.465579 9.067712 8.115602 8.914350 8.827329 9.766724 3.424409 4.328146 3.212217 0.000000 2.542182 7.754366 3.351105 7.150152 4.778768 5.682760 3.688162 3.288909 7.728277 8.086310 3.393605 1.105864 4.095304 9.667624 7.500367 7.383722 5.309033 5.554179 4.563840 3.064826 4.253700 4.255166 2.568741 3.606833 7.399072 8.815045 7.686568 8.069092 7.997529 9.133097 3.156413 4.350115 3.841561 1.786387 0.000000 2.542681 8.062432 3.459015 7.308238 4.764333 5.955412 3.237349 4.073709 7.525539 8.391235 4.093281 1.105303 3.295617 9.914040 8.220519 7.449720 4.926472 6.147569 4.253060 2.576940 3.360733 4.939597 3.580927 4.657162 7.038041 8.609514 7.378839 8.288802 8.535561 9.383116 4.310587 4.967372 4.395659 1.786104 1.789891 0.000000 2.535383 4.901722 3.445688 4.693856 3.166824 4.073408 4.081973 4.808216 4.512605 6.205727 3.301004 4.091776 1.105346 6.479483 5.783569 3.669993 2.710365 4.817707 4.933466 4.684057 3.613161 5.551531 5.341170 4.936406 3.617941 5.374488 4.855335 6.490655 6.661788 6.866719 4.357188 3.249737 3.437325 4.354239 4.973429 4.342363 0.000000 2.541716 6.384353 3.362339 5.737521 3.629411 4.880435 3.319894 4.814174 5.427875 7.112414 4.099658 3.393451 1.105763 7.988516 7.216108 5.382723 3.104567 5.591250 4.278619 3.666399 2.606613 5.534830 5.073835 5.283400 4.627646 6.378135 5.416573 7.138060 7.599159 7.873833 4.974080 4.416767 4.299552 3.775602 4.380910 3.192965 1.790072 0.000000 2.526574 6.462912 4.148893 6.336135 4.461045 5.489154 4.601047 5.357499 6.266793 7.805709 3.379969 3.280208 1.106050 8.111948 7.035276 5.145888 4.179823 6.043114 5.642649 4.806574 4.167323 6.281795 5.551348 5.513587 5.396503 7.156607 6.528515 8.050319 8.148179 8.543517 4.331503 3.838136 3.128774 3.157380 4.325343 3.492765 1.787195 1.785476 0.000000 8.062572 2.542693 7.308599 3.458921 5.955439 4.764624 8.391323 7.526675 4.072874 3.237740 7.451194 9.914666 8.218645 1.105302 3.295757 4.093265 6.147073 4.927255 8.289028 9.383356 8.535199 7.379751 8.610779 7.039825 4.656485 3.579602 4.938660 4.253329 3.361834 2.577047 7.846359 6.369959 8.032891 10.455578 10.121584 10.478686 7.320909 8.748684 8.953642 0.000000 7.952328 2.525890 7.626163 4.145634 6.308718 5.314333 8.803732 8.025471 4.574697 4.525240 7.153785 9.835319 7.859092 1.106309 3.375717 3.274314 6.382132 5.590495 8.914419 9.766642 8.826899 8.115989 9.068407 7.466618 4.754699 4.133210 5.624542 5.576492 4.700131 4.067738 7.681186 6.056686 7.504852 10.207069 10.169577 10.455011 6.877185 8.502563 8.415994 1.786100 0.000000 7.753399 2.542161 7.149724 3.351205 5.682257 4.778723 8.085693 7.728569 3.288385 3.689173 7.384230 9.666758 7.497403 1.105864 4.095323 3.393443 5.553211 5.309342 8.068813 9.132495 7.996477 7.686872 8.815325 7.399888 3.606092 2.568049 4.254645 4.564721 4.254995 3.066249 8.006309 6.339119 7.860325 10.168601 10.059483 10.120021 6.491987 7.931750 8.199873 1.789892 1.786385 0.000000 4.903737 2.535390 4.695345 3.445625 4.074583 3.167245 6.207104 4.513889 4.808476 4.081162 3.672656 6.482256 5.784354 4.091798 1.105348 3.301029 4.819005 2.710227 6.491757 6.868197 6.663224 4.855805 5.376116 3.619416 4.937177 5.341083 5.551816 4.932748 3.611939 4.683136 3.746956 2.689728 4.316462 6.879959 6.495328 7.323395 5.287237 6.625312 6.351726 4.342481 4.354202 4.973433 0.000000 6.464318 2.526596 6.337271 4.148874 5.489975 4.461437 7.806727 6.268077 5.357560 4.600599 5.148224 8.114183 7.035106 3.280268 1.106050 3.379951 6.043921 4.180044 8.051211 8.544659 8.149107 6.529194 7.158230 5.398104 5.514107 5.551030 6.281840 5.642261 4.166778 4.805918 5.317586 4.107481 5.556197 8.418238 8.202905 8.955463 6.350730 7.900067 7.516096 3.492986 3.157338 4.325363 1.787195 0.000000 6.386250 2.541716 5.739167 3.362283 4.881558 3.630189 7.113846 5.429926 4.814004 3.319140 5.385332 7.991364 7.216377 3.393464 1.105763 4.099653 5.592124 3.105524 7.139314 7.875488 7.600377 5.417937 6.380504 4.630274 5.283664 5.073222 5.534612 4.278003 2.605826 3.665165 5.402469 4.406244 6.091864 8.505371 7.935426 8.751182 6.624705 7.934439 7.900524 3.193092 3.775489 4.380969 1.790071 1.785476 0.000000 5.558125 2.528658 5.954086 4.133585 4.964867 4.528971 7.221716 6.616327 4.524457 5.363324 4.632626 7.356089 5.249101 3.426541 3.247267 1.106032 4.979112 4.934773 7.711358 8.023026 7.142811 7.123287 7.486643 6.066339 4.055735 4.732030 5.564352 6.278419 5.561260 5.534233 5.393626 3.666359 4.682051 7.504077 7.860201 8.031758 4.314072 6.089560 5.554091 4.395676 3.212243 3.841398 3.437295 3.128691 4.299484 0.000000 3.914891 2.530660 4.273755 3.288274 3.344089 3.252737 5.474548 5.136065 3.602847 4.767002 3.407018 5.781124 3.603559 4.084264 3.439895 1.105680 3.313406 3.838609 6.026592 6.273351 5.367099 5.702581 5.984845 4.776462 2.979757 4.190458 4.462304 5.465569 5.073750 5.226059 4.310265 2.534807 3.665799 6.055413 6.338245 6.368462 2.687627 4.404224 4.105577 4.967383 4.328183 4.349973 3.249824 3.838165 4.416830 1.788585 0.000000 5.508457 2.537514 5.618219 3.481312 4.393301 4.131813 6.607227 6.574159 3.265975 4.834946 5.194884 7.385657 4.823232 3.254615 4.090393 1.105592 4.057142 4.884764 7.004656 7.530939 6.325866 6.957377 7.507438 6.296963 2.599541 3.396007 4.278454 5.586824 5.377306 4.927737 6.093313 4.310402 5.392813 7.679055 8.004885 7.843794 3.743436 5.398728 5.314157 4.310501 3.424421 3.156191 4.357219 4.331471 4.974076 1.786443 1.790474 0.000000 C14H32Si2 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 0 224.3207999999999 AuxInfo=1/0/N:7,8,9,10,11,12,13,14,15,16,5,6,3,4,1,2/E:(1,2,3,4)(5,6,7,8,9,10)(11,12)(13,14)(15,16)/CRV:11.3,12.3/rA:48SiSiCCC3C3CCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s3;s4;s4;s1;s1;s1;s2;s2;s2;s5;s6;s7;s7;s7;s8;s8;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s15;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.6512314 0.2301334 0.2107682 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= 14196 NPrTT= 66860 LenC2= 13017 LenP2D= 39639. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 240 RedAO= T EigKep= 1.74D-03 NBF= 240 NBsUse= 240 1.00D-06 EigRej= -1.00D+00 NBFU= 240 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= 232 232 232 232 232 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 0 1 -1129.89535702007 -1130.12142528745 -0.226068267384 -1130.57465371484 -0.453228427388 -1130.57405192335 0.000601791492 -1130.57626115135 -0.002209228006 -1130.57634851840 -0.000087367053 -1130.57635000700 -0.000001488601 -1130.57670048255 -0.000350475544 -1130.57670128424 -0.000000801692 -1130.57670127748 0.000000006762 -1130.57670135249 -0.000000075008 -1130.57670135407 -0.000000001587 -1130.57670135433 -0.000000000262 -1130.57670135446 -0.000000000131 -1130.57670135444 0.000000000022 -1130.57670135 15 1.125338336802e+03 -5.586259417955e+03 1.865177491844e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=425391034. IVT= 194734 IEndB= 194734 NGot= 939524096 MDV= 521131703 LenX= 521131703 LenY= 521073662 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 28920 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 48. Will process 49 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 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= 939523372 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=425210078. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 28920 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 1.21D-14 1.00D-09 XBig12= 3.01D+02 1.13D+01. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 1.21D-14 1.00D-09 XBig12= 3.69D+01 1.57D+00. 144 vectors produced by pass 2 Test12= 1.21D-14 1.00D-09 XBig12= 1.00D-01 2.99D-02. 144 vectors produced by pass 3 Test12= 1.21D-14 1.00D-09 XBig12= 1.68D-05 3.34D-04. 48 vectors produced by pass 4 Test12= 1.21D-14 1.00D-09 XBig12= 7.42D-10 1.83D-06. 3 vectors produced by pass 5 Test12= 1.21D-14 1.00D-09 XBig12= 2.44D-14 1.31D-08. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 627 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 206.95 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 251.674 -0.001 187.996 3.652 0.000 181.189 380.288 -0.002 304.682 17.656 -0.001 312.864 (Enter /mnt/data/applications/G09/g09/l716.exe) PT4411.300S 2017-07-15T04:39:59.000+02:00 -65.42775 -65.42775 -9.89647 -9.89647 -9.88531 -9.88482 -9.88007 -9.88007 -9.87880 -9.87880 -9.86589 -9.86589 -9.86532 -9.86532 -9.86377 -9.86376 -5.04848 -5.04847 -3.45896 -3.45896 -3.45879 -3.45879 -3.45874 -3.45873 -0.73400 -0.70906 -0.64189 -0.63352 -0.63310 -0.61288 -0.61043 -0.60416 -0.60392 -0.60086 -0.60061 -0.55058 -0.49439 -0.45565 -0.42586 -0.41546 -0.39487 -0.39457 -0.37792 -0.37513 -0.36264 -0.36073 -0.35969 -0.35613 -0.35161 -0.34589 -0.34308 -0.34218 -0.33692 -0.33682 -0.33527 -0.33383 -0.33232 -0.32935 -0.32541 -0.32466 -0.31615 -0.30291 -0.29210 -0.29158 -0.27474 -0.25606 -0.25444 -0.25385 -0.25305 -0.24388 -0.23568 -0.18081 -0.00932 0.04261 0.05908 0.07140 0.07157 0.07837 0.08070 0.08139 0.08926 0.09802 0.09912 0.10694 0.11128 0.11717 0.12189 0.12394 0.12865 0.13570 0.13833 0.14231 0.14440 0.14584 0.15111 0.15633 0.15949 0.16390 0.16798 0.16992 0.17277 0.17850 0.17877 0.18417 0.18865 0.19409 0.19461 0.20539 0.20573 0.21346 0.21599 0.22158 0.22170 0.22578 0.23164 0.24015 0.24473 0.24675 0.25278 0.25755 0.26402 0.27299 0.27581 0.27698 0.28577 0.28856 0.29238 0.29957 0.30130 0.31219 0.32927 0.33764 0.33980 0.34259 0.35668 0.36107 0.36789 0.37509 0.37671 0.38817 0.39347 0.39493 0.40392 0.41341 0.41864 0.43085 0.43222 0.43957 0.44332 0.45116 0.48540 0.49047 0.51023 0.52576 0.52784 0.53685 0.54718 0.55410 0.56003 0.58144 0.59416 0.60554 0.61499 0.62186 0.65990 0.66638 0.69403 0.70095 0.73971 0.75090 0.84617 0.88111 0.90531 0.90545 0.92048 0.92101 0.92469 0.92953 0.95263 0.96764 0.96818 1.00363 1.00367 1.02529 1.03432 1.04471 1.04773 1.06631 1.07492 1.08753 1.09044 1.09465 1.10464 1.11393 1.12543 1.14454 1.14467 1.15541 1.15922 1.18382 1.18607 1.18820 1.20154 1.20808 1.20960 1.22610 1.23406 1.24714 1.25237 1.28299 1.28492 1.30790 1.34445 1.38247 1.41117 1.55087 5.05206 5.06416 5.07339 5.07611 5.08510 5.09478 5.67078 5.70991 22.47070 22.57829 22.58916 22.60514 22.60718 22.61866 22.62182 22.63744 22.64287 22.65751 22.66577 22.69022 22.72890 22.79916 143.02737 143.06958 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 Si Si C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H H 1.296610 1.296632 -0.203812 -0.203754 -0.162870 -0.163052 -0.719395 -0.755683 -0.755703 -0.719391 -1.044882 -1.039519 -1.043090 -1.039514 -1.043083 -1.044881 0.225062 0.225111 0.222791 0.221206 0.210578 0.221433 0.213348 0.222996 0.222963 0.213365 0.221431 0.222794 0.210592 0.221182 0.235112 0.248164 0.234473 0.235211 0.233855 0.236858 0.243062 0.232235 0.236306 0.236849 0.235212 0.233860 0.243030 0.236305 0.232245 0.234473 0.248186 0.235099 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 Si Si C C C C C C C C C C C C C C 1.296610 1.296632 -0.203812 -0.203754 0.062191 0.062058 -0.064820 -0.097906 -0.097944 -0.064823 -0.327133 -0.333594 -0.331487 -0.333593 -0.331503 -0.327123 0.00000 -6.01096828e-06 -5.48904065e-02 -2.89970774e-05 2.51673843e+02 -5.21824186e-04 1.87995667e+02 3.65193349e+00 -4.60782286e-04 1.81189327e+02 -10.9581 -6.3143 -3.5046 0.0017 0.0020 0.0021 26.6078 33.5201 44.3893 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 26.5913 33.4116 44.3236 47.4143 50.8467 100.2522 101.7026 114.4120 115.1389 125.6264 134.4745 137.6337 155.3416 162.2887 164.1039 168.5997 182.9137 195.5065 197.2007 203.0851 204.6799 208.0155 228.4053 251.8965 258.3833 259.6189 275.6056 286.5943 290.1265 293.9396 309.3006 330.5033 337.0779 391.7946 400.3308 471.1096 497.3992 538.8609 593.4224 621.0098 677.7262 685.5944 686.2282 691.0837 691.1117 737.2477 738.2177 793.3502 795.9909 800.2678 800.9500 806.9764 834.0336 860.8235 892.9745 896.5441 898.2039 899.8394 903.4566 916.6409 939.9102 940.1677 962.2624 973.9451 976.1273 1002.0613 1004.2129 1106.4874 1134.6621 1137.7868 1149.5026 1220.5798 1227.5998 1283.2272 1284.9827 1287.0935 1287.7329 1290.3823 1297.8459 1300.6136 1310.5695 1373.6275 1374.0755 1390.7838 1392.2163 1440.7667 1440.9168 1443.8046 1445.0491 1445.1966 1449.1023 1450.7234 1452.0174 1452.4957 1456.3396 1460.7048 1463.5521 1470.2754 1470.5651 1472.6314 1473.8013 1484.2061 1484.2211 1490.5850 1491.3953 1643.5287 2958.1187 2958.1294 2960.9571 2961.4095 2975.9623 2976.0327 2977.8463 2977.9662 2979.2649 2979.6436 3047.1768 3047.1941 3050.1467 3050.8500 3060.6142 3061.6236 3064.9916 3065.5028 3068.7689 3076.1579 3076.5067 3076.5391 3079.0522 3080.2020 3081.1440 3081.5086 3082.4543 3082.5780 3083.3863 3083.7737 3083.8021 3084.8532 3.3632 2.8664 3.2391 2.9300 2.9821 1.1960 1.1013 1.0457 1.0354 2.0867 1.1320 1.2776 2.1746 2.6316 2.1469 2.2972 2.5953 2.3735 2.3537 2.3033 2.3131 2.3744 2.6475 2.3613 1.0606 1.0589 1.9481 2.3624 1.3018 1.2651 2.2949 2.6527 3.2780 3.4869 2.4475 3.1436 3.4546 3.0673 3.6831 3.7672 2.6789 3.1841 3.1785 3.1188 3.1219 1.1691 1.1680 1.3512 1.3597 1.3453 1.4526 2.4250 2.9072 2.0582 1.4951 1.5012 1.4926 1.4927 1.5227 1.5377 1.5845 1.4757 1.8020 1.8306 1.0971 1.2698 1.3081 2.5767 2.2397 2.0180 2.5970 3.6907 3.4205 1.2043 1.2024 1.2545 1.2040 1.2997 1.1934 1.1916 1.2325 1.1831 1.1797 1.1904 1.1886 1.0551 1.0548 1.0536 1.0538 1.0542 1.0526 1.0515 1.0499 1.0518 1.0500 1.0483 1.0492 1.0476 1.0476 1.0503 1.0496 1.0492 1.0497 1.0499 1.0527 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