Gaussian 09 GINC-KIMIK2020 CBGUSER 000136815 EM64L-G09RevD.01 10-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 248.34219999999988 0 1 AuxInfo=1/0/N:9,10,11,12,13,14,17,18,15,16,7,8,5,6,3,4,1,2/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:42SiSiC3C3C3C3C3C3CCCCCCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s4s7;s1;s1;s1;s2;s2;s2;s5;s6;s15;s16s17;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-30929.inp" -scrdir="/scratch/" chk=000136815.chk nprocshared=4 mem=7GB #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 000136815 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 28 28 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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 1 1 1 1 2 2 2 2 3 3 4 4 5 5 6 7 7 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 17 17 18 3 9 10 11 4 12 13 14 5 7 6 8 6 15 16 8 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 17 39 18 40 18 41 42 1.8961 1.8806 1.881 1.878 1.8965 1.8806 1.8809 1.8777 1.4044 1.3951 1.4045 1.395 1.4152 1.4044 1.4043 1.3918 1.0846 1.0846 1.0948 1.0941 1.0941 1.0924 1.0942 1.0944 1.0941 1.0925 1.0945 1.0942 1.094 1.0947 1.0944 1.0925 1.0942 1.0925 1.0943 1.0942 1.3953 1.0821 1.3951 1.0821 1.3916 1.0863 1.0863 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 3 9 9 10 4 4 4 12 12 13 1 1 5 2 2 6 3 3 6 4 4 5 3 3 8 4 4 7 1 1 1 21 21 22 1 1 1 24 24 25 1 1 1 27 27 28 2 2 2 30 30 31 2 2 2 33 33 34 2 2 2 36 36 37 5 5 17 6 6 18 15 15 18 16 16 17 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 9 10 11 10 11 11 12 13 14 13 14 14 5 7 7 6 8 8 6 15 15 5 16 16 8 19 19 7 20 20 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29 30 31 32 31 32 32 33 34 35 34 35 35 36 37 38 37 38 38 17 39 39 18 40 40 18 41 41 17 42 42 108.9824 109.0375 111.4622 109.4016 109.0069 108.9256 108.9723 109.0233 111.4605 109.4088 109.0171 108.9345 125.0744 114.2413 120.6843 125.0711 114.2354 120.6934 119.2718 121.46 119.2682 119.2698 121.4453 119.2849 120.048 123.6958 116.2562 120.0327 123.7029 116.2644 109.7093 111.4279 111.3905 107.5222 107.5472 109.0913 112.3806 110.4359 109.9781 108.2669 107.6631 107.9731 110.4338 112.29 110.1232 108.1826 107.9652 107.7033 111.431 111.3938 109.7115 109.0889 107.5158 107.5469 109.9756 112.3811 110.4434 107.669 107.971 108.2573 112.2897 110.1283 110.432 107.7023 108.1753 107.9706 120.6772 123.6672 115.6553 120.6804 123.668 115.6515 120.0463 119.9984 119.9553 120.043 120.0038 119.9532 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 9 9 10 10 11 11 3 3 3 10 10 10 11 11 11 3 3 3 9 9 9 11 11 11 3 3 3 9 9 9 10 10 10 12 12 13 13 14 14 4 4 4 13 13 13 14 14 14 4 4 4 12 12 12 14 14 14 4 4 4 12 12 12 13 13 13 1 1 7 7 1 1 5 5 2 2 8 8 2 2 6 6 3 3 15 15 3 3 6 6 4 4 5 5 3 3 19 19 5 5 39 39 6 6 40 40 15 15 41 41 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 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 15 15 15 15 16 16 16 16 17 17 17 17 3 3 3 3 3 3 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 4 4 4 4 4 4 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 5 5 5 5 7 7 7 7 6 6 6 6 8 8 8 8 6 6 6 6 15 15 15 15 16 16 16 16 8 8 8 8 17 17 17 17 18 18 18 18 18 18 18 18 5 7 5 7 5 7 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29 6 8 6 8 6 8 30 31 32 30 31 32 30 31 32 33 34 35 33 34 35 33 34 35 36 37 38 36 37 38 36 37 38 6 15 6 15 8 19 8 19 5 16 5 16 7 20 7 20 4 16 4 16 17 39 17 39 18 40 18 40 4 20 4 20 18 41 18 41 17 42 17 42 16 42 16 42 -179.9872 0.0086 60.6517 -119.3525 -59.6353 120.3605 -179.6635 -60.7066 61.3721 -60.529 58.4279 -179.4935 58.4842 177.4411 -60.4802 -68.4945 52.5146 171.582 172.4051 -66.5857 52.4816 53.3415 174.3507 -66.5819 -54.3875 66.4508 -173.5352 65.95 -173.2117 -53.1976 -174.7403 -53.902 66.1121 179.9298 0.0014 60.5743 -119.3541 -59.7133 120.3582 -60.7001 61.38 -179.6524 58.4154 -179.5046 -60.5369 177.4497 -60.4702 58.4974 171.5221 -68.5483 52.4543 52.4383 172.3678 -66.6296 -66.6472 53.2824 174.285 66.4215 -173.5625 -54.4061 -173.248 -53.232 65.9244 -53.9183 66.0976 -174.746 -179.9921 -0.004 0.0124 -179.9996 -179.9861 -0.0195 0.01 179.9766 -179.9449 0.0719 -0.0207 179.996 179.9752 -0.0684 0.0433 179.9997 -0.007 179.9766 -179.9953 -0.0117 179.9945 0.1709 -0.0174 -179.841 -179.9865 0.1609 0.0303 -179.8224 -0.0377 -179.9973 179.9932 0.0337 0.0284 -179.9577 179.8655 -0.1206 -0.0196 -179.9874 179.8443 -0.1235 -0.0098 179.9579 179.9763 -0.0559 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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-06 241 252 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 42 42 42 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= 13530 NPrTT= 65428 LenC2= 12134 LenP2D= 37512. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 244 RedAO= T EigKep= 2.45D-04 NBF= 244 NBsUse= 244 1.00D-06 EigRej= -1.00D+00 NBFU= 244 Using GEDIIS/GDIIS optimizer. local minimum Step number 11 out of a maximum of 241 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00052 0.00914 0.01019 0.01024 0.01035 0.01055 0.01061 0.01103 0.01532 0.01555 0.01958 0.02037 0.02076 0.02091 0.02093 0.02121 0.02157 0.02165 0.02166 0.02169 0.02181 0.02377 0.03280 0.03935 0.05270 0.05331 0.05779 0.05791 0.05801 0.05830 0.05834 0.05838 0.05864 0.05933 0.06035 0.06056 0.06094 0.06104 0.06106 0.06129 0.06155 0.10571 0.13580 0.15208 0.15438 0.15689 0.15865 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 0.16000 0.16002 0.16011 0.16034 0.16139 0.16268 0.16657 0.17316 0.19791 0.19897 0.20637 0.20672 0.20712 0.20905 0.20994 0.21651 0.22000 0.22470 0.22489 0.23619 0.24483 0.25000 0.25003 0.25036 0.34256 0.34267 0.34292 0.34306 0.34313 0.34321 0.34330 0.34333 0.34334 0.34338 0.34340 0.34346 0.34350 0.34457 0.34526 0.34568 0.34590 0.35061 0.35243 0.35321 0.35439 0.35665 0.35744 0.36876 0.38999 0.41369 0.42171 0.42191 0.43865 0.45770 0.45788 0.45826 0.46243 0.46665 0.51108 RFO step: Lambda=-2.29708761D-07. 1 2 0.00142822 0.00000091 0.00000059 0.00000016 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 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 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 3.64903 3.61919 3.62652 3.62643 3.64903 3.61919 3.62652 3.62643 2.74087 2.65221 2.74087 2.65221 2.75631 2.71553 2.71552 2.70059 2.07180 2.07180 2.09011 2.08906 2.08904 2.08674 2.08909 2.09083 2.08909 2.08680 2.09075 2.08906 2.08904 2.09011 2.09083 2.08674 2.08909 2.08680 2.09075 2.08909 2.63751 2.06766 2.63751 2.06766 2.69726 2.07053 2.07053 1.89446 1.93872 1.93637 1.88163 1.88301 1.92762 1.89446 1.93872 1.93637 1.88163 1.88303 1.92760 2.16514 2.06831 2.04973 2.16513 2.06832 2.04973 2.10069 2.12005 2.06244 2.10070 2.12003 2.06245 2.13276 2.09540 2.05503 2.13276 2.09540 2.05503 1.91018 1.95197 1.95219 1.87763 1.87778 1.89113 1.96538 1.92481 1.92192 1.87925 1.88551 1.88451 1.92470 1.96424 1.92305 1.87909 1.88466 1.88567 1.95196 1.95221 1.91018 1.89113 1.87763 1.87778 1.92192 1.96538 1.92482 1.88550 1.88451 1.87926 1.96424 1.92305 1.92471 1.88567 1.87909 1.88466 2.12953 2.07705 2.07660 2.12952 2.07705 2.07661 2.09121 2.09807 2.09390 2.09121 2.09807 2.09390 3.14075 -0.00207 1.07493 -2.06789 -1.07631 2.06406 -3.13728 -1.05832 1.06662 -1.03567 1.04329 -3.11496 1.04631 3.12527 -1.03297 -1.05822 1.04139 3.11941 -3.13177 -1.03217 1.04586 1.09802 -3.08555 -1.00753 -1.04026 1.05829 -3.11911 1.03278 3.13133 -1.04606 3.08532 -1.09932 1.00647 3.14072 -0.00210 1.07490 -2.06792 -1.07632 2.06405 -1.05840 1.06654 -3.13735 1.04321 -3.11503 -1.03574 3.12517 -1.03307 1.04622 3.11929 -1.05835 1.04127 1.04574 -3.13190 -1.03229 -1.00766 1.09789 -3.08568 1.05855 -3.11885 -1.04001 3.13161 -1.04580 1.03305 -1.09905 1.00673 3.08558 3.14004 -0.00145 -0.00034 3.14136 -3.14045 0.00110 -0.00001 3.14155 3.14005 -0.00145 -0.00033 3.14135 -3.14046 0.00112 -0.00002 3.14156 0.00051 -3.14117 -3.14118 0.00033 3.14133 -0.00053 -0.00016 3.14117 3.14131 -0.00052 -0.00020 3.14116 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-0.00016 -0.00015 3.64892 3.61920 3.62652 3.62645 3.64892 3.61920 3.62652 3.62645 2.74097 2.65216 2.74097 2.65216 2.75604 2.71564 2.71564 2.70040 2.07177 2.07177 2.09006 2.08902 2.08901 2.08672 2.08903 2.09073 2.08901 2.08677 2.09072 2.08902 2.08901 2.09006 2.09073 2.08673 2.08903 2.08677 2.09072 2.08901 2.63735 2.06760 2.63735 2.06759 2.69735 2.07050 2.07050 1.89410 1.93843 1.93726 1.88211 1.88281 1.92709 1.89409 1.93843 1.93727 1.88210 1.88282 1.92709 2.16511 2.06842 2.04966 2.16512 2.06841 2.04966 2.10072 2.12001 2.06246 2.10072 2.12001 2.06245 2.13280 2.09538 2.05500 2.13281 2.09538 2.05500 1.91039 1.95190 1.95193 1.87767 1.87781 1.89120 1.96493 1.92497 1.92199 1.87922 1.88557 1.88474 1.92498 1.96435 1.92245 1.87918 1.88481 1.88566 1.95189 1.95194 1.91039 1.89120 1.87767 1.87781 1.92199 1.96492 1.92497 1.88557 1.88474 1.87922 1.96435 1.92244 1.92499 1.88565 1.87918 1.88481 2.12953 2.07698 2.07667 2.12953 2.07698 2.07667 2.09120 2.09825 2.09374 2.09120 2.09825 2.09374 3.14133 -0.00101 1.07532 -2.06703 -1.07567 2.06517 -3.13804 -1.05894 1.06585 -1.03670 1.04240 -3.11599 1.04481 3.12391 -1.03449 -1.05900 1.04037 3.11882 -3.13224 -1.03287 1.04557 1.09782 -3.08600 -1.00756 -1.03996 1.05897 -3.11879 1.03304 3.13197 -1.04580 3.08573 -1.09852 1.00690 3.14119 -0.00113 1.07519 -2.06713 -1.07580 2.06507 -1.05900 1.06579 -3.13809 1.04233 -3.11606 -1.03676 3.12383 -1.03456 1.04474 3.11870 -1.05912 1.04025 1.04547 -3.13235 -1.03298 -1.00766 1.09771 -3.08611 1.05923 -3.11854 -1.03971 3.13223 -1.04554 1.03329 -1.09826 1.00715 3.08598 3.14066 -0.00079 -0.00019 3.14155 -3.14093 0.00064 -0.00004 3.14153 3.14064 -0.00084 -0.00023 3.14148 -3.14091 0.00063 0.00000 3.14155 0.00033 -3.14137 -3.14141 0.00008 3.14143 -0.00030 -0.00002 3.14144 3.14144 -0.00031 -0.00004 3.14139 0.00014 -3.14141 -3.14143 0.00021 -0.00008 3.14153 -3.14154 0.00008 -0.00006 3.14154 -3.14149 0.00010 0.00012 -3.14148 -3.14149 0.00010 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000124 0.000020 0.005172 0.001428 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -3.980489e-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 1 1 1 1 2 2 2 2 3 3 4 4 5 5 6 7 7 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 17 17 18 3 9 10 11 4 12 13 14 5 7 6 8 6 15 16 8 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 17 39 18 40 18 41 42 1.931 1.9152 1.9191 1.919 1.931 1.9152 1.9191 1.919 1.4504 1.4035 1.4504 1.4035 1.4586 1.437 1.437 1.4291 1.0963 1.0963 1.106 1.1055 1.1055 1.1043 1.1055 1.1064 1.1055 1.1043 1.1064 1.1055 1.1055 1.106 1.1064 1.1043 1.1055 1.1043 1.1064 1.1055 1.3957 1.0942 1.3957 1.0942 1.4273 1.0957 1.0957 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-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 3 3 3 9 9 10 4 4 4 12 12 13 1 1 5 2 2 6 3 3 6 4 4 5 3 3 8 4 4 7 1 1 1 21 21 22 1 1 1 24 24 25 1 1 1 27 27 28 2 2 2 30 30 31 2 2 2 33 33 34 2 2 2 36 36 37 5 5 17 6 6 18 15 15 18 16 16 17 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 9 10 11 10 11 11 12 13 14 13 14 14 5 7 7 6 8 8 6 15 15 5 16 16 8 19 19 7 20 20 21 22 23 22 23 23 24 25 26 25 26 26 27 28 29 28 29 29 30 31 32 31 32 32 33 34 35 34 35 35 36 37 38 37 38 38 17 39 39 18 40 40 18 41 41 17 42 42 108.5446 111.0802 110.9458 107.8097 107.8888 110.4444 108.5447 111.0804 110.946 107.8092 107.8896 110.4435 124.0534 118.5057 117.441 124.0529 118.5061 117.441 120.3609 121.4697 118.1694 120.3612 121.469 118.1699 122.198 120.0574 117.7446 122.1979 120.0575 117.7445 109.4454 111.8396 111.8523 107.5803 107.5891 108.3539 112.608 110.2837 110.1181 107.6734 108.0316 107.9743 110.2771 112.5427 110.1829 107.6638 107.983 108.041 111.8388 111.8532 109.4453 108.3539 107.5804 107.5889 110.1179 112.6081 110.2841 108.0312 107.9743 107.6736 112.5425 110.1824 110.2778 108.0411 107.6638 107.9829 122.0129 119.0065 118.9807 122.0127 119.0062 118.981 119.8176 120.2106 119.9717 119.8175 120.2107 119.9718 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 9 9 10 10 11 11 3 3 3 10 10 10 11 11 11 3 3 3 9 9 9 11 11 11 3 3 3 9 9 9 10 10 10 12 12 13 13 14 14 4 4 4 13 13 13 14 14 14 4 4 4 12 12 12 14 14 14 4 4 4 12 12 12 13 13 13 1 1 7 7 1 1 5 5 2 2 8 8 2 2 6 6 3 3 15 15 3 3 6 6 4 4 5 5 3 3 19 19 5 5 39 39 6 6 40 40 15 15 41 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 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 6 6 6 6 7 7 7 7 15 15 15 15 16 16 16 16 17 17 17 3 3 3 3 3 3 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 4 4 4 4 4 4 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 5 5 5 5 7 7 7 7 6 6 6 6 8 8 8 8 6 6 6 6 15 15 15 15 16 16 16 16 8 8 8 8 17 17 17 17 18 18 18 18 18 18 18 5 7 5 7 5 7 21 22 23 21 22 23 21 22 23 24 25 26 24 25 26 24 25 26 27 28 29 27 28 29 27 28 29 6 8 6 8 6 8 30 31 32 30 31 32 30 31 32 33 34 35 33 34 35 33 34 35 36 37 38 36 37 38 36 37 38 6 15 6 15 8 19 8 19 5 16 5 16 7 20 7 20 4 16 4 16 17 39 17 39 18 40 18 40 4 20 4 20 18 41 18 41 17 42 17 42 16 42 16 179.9517 -0.1187 61.5888 -118.4816 -61.6678 118.2618 -179.7528 -60.6373 61.1128 -59.3394 59.7761 -178.4738 59.9493 179.0648 -59.1851 -60.6316 59.6671 178.7289 -179.4375 -59.1387 59.9231 62.9121 -176.7891 -57.7273 -59.6028 60.6353 -178.7118 59.1739 179.412 -59.9351 176.7757 -62.9862 57.6667 179.9498 -0.1205 61.5872 -118.483 -61.6685 118.2612 -60.6421 61.1082 -179.7571 59.7714 -178.4783 -59.3436 179.0592 -59.1905 59.9443 178.722 -60.6391 59.6602 59.9162 -179.4449 -59.1456 -57.7344 62.9044 -176.7962 60.6503 -178.6972 -59.5881 179.4278 -59.9197 59.1893 -62.971 57.6815 176.7905 179.9111 -0.0829 -0.0192 179.9868 -179.9347 0.0631 -0.0004 179.9974 179.9118 -0.0833 -0.0187 179.9862 -179.9354 0.0639 -0.0009 179.9984 0.0292 -179.9755 -179.9765 0.0187 179.9847 -0.0302 -0.0094 179.9757 179.984 -0.0297 -0.0112 179.9751 0.0108 -179.9885 -179.987 0.0137 -0.0081 179.9932 -179.9932 0.0081 -0.0063 179.9947 -179.9927 0.0083 0.0162 -179.9849 -179.9852 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0 248.34219999999988 AuxInfo=1/0/N:9,10,11,12,13,14,17,18,15,16,7,8,5,6,3,4,1,2/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:42SiSiC3C3C3C3C3C3CCCCCCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s4s7;s1;s1;s1;s2;s2;s2;s5;s6;s15;s16s17;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.561803 0.000000 1.896117 4.679334 0.000000 4.678928 1.896514 2.788602 0.000000 2.937375 4.232889 1.404431 2.432921 0.000000 4.232479 2.937773 2.432870 1.404519 1.415201 0.000000 2.777404 4.104607 1.395150 2.413881 2.432829 2.808567 0.000000 4.104463 2.777589 2.414154 1.395050 2.808754 2.432928 1.391801 0.000000 1.880637 7.226416 3.074391 5.490002 4.422699 5.482668 3.121985 4.480254 0.000000 1.881007 7.467674 3.075746 5.626075 3.671524 4.974170 4.061950 5.251439 3.070051 0.000000 1.877975 7.531570 3.118942 5.686512 3.720057 5.031177 4.108683 5.307042 3.060076 3.058829 0.000000 7.226176 1.880569 5.490167 3.074465 5.482806 4.422839 4.480190 3.121886 7.419102 8.275177 8.337065 0.000000 7.466389 1.880872 5.625526 3.075689 4.973347 3.670794 5.250907 4.061764 8.274116 8.540187 8.031973 3.070021 0.000000 7.532093 1.877714 5.687073 3.119023 5.032068 3.720844 5.307127 4.108577 8.337865 8.034073 8.650781 3.060003 3.058677 0.000000 3.246309 5.370160 2.450200 3.712104 1.404383 2.432784 3.723976 4.213064 5.036700 3.529669 3.564352 6.786561 5.885312 5.943510 0.000000 5.369876 3.246204 3.712065 2.450000 2.432893 1.404268 4.212766 3.723798 6.786449 5.886446 5.942630 5.036430 3.528495 3.564885 2.788702 0.000000 4.637154 5.534687 3.724069 4.212816 2.432831 2.808368 4.865600 5.060735 6.430798 4.738722 4.774298 7.188569 5.788640 5.838401 1.395300 2.413909 0.000000 5.534766 4.636848 4.212952 3.723821 2.808594 2.432627 5.060611 4.865500 7.188762 5.790435 5.837558 6.430381 4.736799 4.774986 2.414091 1.395136 1.391601 0.000000 2.895852 4.880329 2.191331 3.370255 3.437521 3.891562 1.084643 2.109316 2.538698 4.250667 4.287782 4.887839 6.064550 6.119719 4.635752 5.295811 5.858023 6.130858 0.000000 4.880229 2.895997 3.370536 2.191311 3.891746 3.437647 2.109409 1.084643 4.887947 6.064993 6.119749 2.538597 4.250831 4.287376 5.296112 4.635557 6.130961 5.857874 2.351601 0.000000 2.474705 8.311613 4.023758 6.553254 5.300747 6.455688 4.207652 5.572962 1.094813 3.267217 3.238799 8.507710 9.330537 9.394025 5.719915 7.711770 7.108102 7.992213 3.621652 5.973192 0.000000 2.497416 7.053491 3.295193 5.417412 4.653802 5.571499 3.063982 4.314789 1.094050 3.276114 4.020730 7.099090 8.306975 8.035862 5.407340 6.908523 6.774252 7.424013 2.342345 4.591304 1.765448 0.000000 2.496952 7.062186 3.300267 5.425614 4.657964 5.577524 3.072937 4.324192 1.094101 4.029465 3.281407 7.108753 7.975771 8.371603 5.408943 6.913894 6.775917 7.427469 2.353146 4.601871 1.765771 1.782420 0.000000 2.509266 7.559549 3.377199 5.745666 3.552049 4.856150 4.574309 5.631203 4.031797 1.092432 3.237069 8.587844 8.507418 8.002839 3.012572 5.539168 4.037265 5.203981 4.970818 6.552209 4.243130 4.312367 4.904083 0.000000 2.484499 7.194070 3.214111 5.449532 3.820147 4.941834 3.966952 5.040364 3.330410 1.094199 4.010189 7.914083 8.461464 7.594921 3.899528 5.879746 5.041924 5.923169 4.128786 5.777559 3.651972 3.167356 4.327178 1.772010 0.000000 2.478404 8.506491 4.021735 6.656732 4.713903 6.041552 4.914080 6.180104 3.205382 1.094375 3.311178 9.227445 9.574585 9.103937 4.505344 6.959531 5.686785 6.810280 4.924138 6.926519 3.024352 3.467976 4.223888 1.765378 1.770292 0.000000 2.481666 7.304479 3.283691 5.553568 3.899838 5.038767 4.045721 5.135974 3.313298 4.010945 1.094137 8.020806 7.634541 8.610812 3.955409 5.975523 5.101470 6.003042 4.190594 5.871753 3.607404 4.319809 3.163274 4.234102 4.867046 4.320040 0.000000 2.505340 7.613501 3.409884 5.796095 3.594229 4.905801 4.609144 5.675184 4.023835 3.239224 1.092500 8.638725 7.991626 8.609215 3.046359 5.590147 4.072443 5.248647 4.997187 6.595259 4.223460 4.897054 4.313545 3.037816 4.233108 3.583662 1.771072 0.000000 2.477690 8.567096 4.057865 6.711884 4.752895 6.090648 4.958072 6.232796 3.201277 3.308641 1.094476 9.289017 9.105709 9.676637 4.530590 7.007935 5.713712 6.849168 4.962676 6.980877 2.998167 4.211971 3.490744 3.574049 4.319353 3.190035 1.770235 1.765967 0.000000 7.052644 2.497468 5.417192 3.295187 5.571146 4.653563 4.314467 3.063806 7.098388 8.307312 8.034436 1.094153 3.276114 4.020723 6.908132 5.406753 7.423257 6.773346 4.590980 2.342487 8.170197 6.864765 6.640109 8.685412 8.047595 9.207114 7.597682 8.418400 8.955182 0.000000 7.062507 2.496887 5.426102 3.300327 5.578079 4.658417 4.324351 3.072850 7.109383 7.977371 8.371477 1.094037 4.029369 3.281357 6.914515 5.408981 7.427911 6.776058 4.601924 2.352724 8.179938 6.641409 6.886828 8.372717 7.496976 8.893386 8.155532 8.738626 9.267497 1.782425 0.000000 8.311318 2.474623 6.553386 4.023869 6.455845 5.300939 5.572834 4.207504 8.507615 9.331711 9.393034 1.094741 3.267310 3.238931 7.711887 5.719738 7.992027 7.107723 5.972991 3.621454 9.594401 8.170885 8.179114 9.612283 8.947069 10.296155 9.052771 9.662862 10.357740 1.765401 1.765658 0.000000 8.505115 2.478233 6.656138 4.021675 6.040896 4.713454 6.179372 4.913651 9.226134 9.574780 9.101580 3.204999 1.094357 3.311617 6.958650 4.504701 6.808894 5.685409 6.925762 4.923896 10.294735 9.206636 8.891340 9.559937 9.447204 10.611223 8.676877 9.080144 10.169283 3.467375 4.223555 3.024147 0.000000 7.558864 2.509181 5.745654 3.377528 4.855828 3.551730 5.631183 4.574564 8.587393 8.507884 8.001435 4.031752 1.092478 3.236560 5.538433 3.011627 5.202398 4.035409 6.552274 4.971297 9.611710 8.685569 8.371811 8.335649 8.482893 9.560146 7.665163 7.812652 9.092997 4.312506 4.903975 4.243058 1.765467 0.000000 7.191584 2.484467 5.448009 3.213540 4.939712 3.818254 5.039254 3.966491 7.911982 8.460094 7.591447 3.330896 1.094183 4.009987 5.877162 3.897151 5.919763 5.038507 5.776719 4.129152 8.944739 8.046315 7.494456 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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 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 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 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 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 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2.878418 2.479832 1.403489 2.834445 2.439186 1.429093 0.000000 1.915190 7.501655 3.122344 5.696226 4.510283 5.626899 3.262315 4.661896 0.000000 1.919070 7.728334 3.174465 5.853547 3.793558 5.143337 4.202950 5.429778 3.098235 0.000000 1.919026 7.723150 3.171870 5.848224 3.790934 5.138984 4.198761 5.424536 3.099758 3.152499 0.000000 7.501664 1.915191 5.696235 3.122344 5.626902 4.510276 4.661908 3.262325 7.760587 8.589266 8.582805 0.000000 7.728326 1.919070 5.853541 3.174466 5.143316 3.793535 5.429786 4.202967 8.589247 8.846813 8.261765 3.098226 0.000000 7.723164 1.919023 5.848230 3.171869 5.138985 3.790931 5.424538 4.198761 8.582819 8.261792 8.838789 3.099773 3.152479 0.000000 3.303138 5.476760 2.518882 3.818240 1.436994 2.484213 3.770195 4.270565 5.129182 3.643732 3.643738 6.939522 6.046583 6.042444 0.000000 5.476778 3.303103 3.818244 2.518868 2.484217 1.436992 4.270561 3.770185 6.939527 6.046630 6.042448 5.129151 3.643665 3.643721 2.815335 0.000000 4.691429 5.628910 3.803643 4.317665 2.477774 2.867264 4.916869 5.120093 6.524726 4.843272 4.842755 7.324521 5.938195 5.935563 1.395711 2.442624 0.000000 5.628941 4.691391 4.317675 3.803631 2.867271 2.477771 5.120094 4.916864 7.324541 5.938259 5.935585 6.524695 4.843199 4.842726 2.442626 1.395710 1.427329 0.000000 2.969900 5.042549 2.170976 3.446511 3.445284 3.929792 1.096347 2.168652 2.661612 4.359438 4.355573 5.108490 6.266013 6.260467 4.679807 5.366348 5.909331 6.198138 0.000000 5.042544 2.969912 3.446511 2.170977 3.929795 3.445282 2.168652 1.096347 5.108471 6.266001 6.260458 2.661631 4.359465 4.355580 5.366352 4.679795 6.198135 5.909323 2.449859 0.000000 2.510308 8.593911 4.080888 6.767616 5.393089 6.604608 4.357282 5.764336 1.106036 3.274370 3.281568 8.863509 9.651561 9.643835 5.812045 7.863593 7.196400 8.124791 3.759007 6.208403 0.000000 2.542695 7.342652 3.348019 5.628950 4.749768 5.724688 3.207361 4.504640 1.105484 3.315363 4.078991 7.453344 8.632170 8.292220 5.511054 7.076942 6.883341 7.574566 2.469288 4.821580 1.784384 0.000000 2.542855 7.348514 3.352274 5.634177 4.753826 5.729277 3.212706 4.510136 1.105470 4.077779 3.312398 7.458790 8.304644 8.632290 5.514198 7.081194 6.886471 7.578224 2.474745 4.827168 1.784474 1.792704 0.000000 2.555681 7.697556 3.422576 5.870876 3.603004 4.932503 4.635172 5.709817 4.081965 1.104253 3.418576 8.776947 8.715339 8.088967 3.078975 5.602254 4.089089 5.275109 5.015786 6.649455 4.302891 4.341296 4.978678 0.000000 2.525054 7.564388 3.378690 5.775973 4.053049 5.231951 4.151495 5.287502 3.286537 1.105499 4.107117 8.308585 8.879957 7.945501 4.136063 6.183623 5.289143 6.220011 4.241396 6.030761 3.559932 3.122546 4.317537 1.784018 0.000000 2.523418 8.794904 4.127163 6.904029 4.818067 6.204100 5.102056 6.402966 3.291040 1.106421 3.337407 9.597365 9.882981 9.364158 4.567110 7.095604 5.728101 6.911019 5.104080 7.190860 3.083202 3.600966 4.309152 1.788831 1.789189 0.000000 2.524921 7.556135 3.374873 5.767555 4.049294 5.225334 4.144794 5.279042 3.288591 4.107061 1.105498 8.298105 7.943395 8.869427 4.136227 6.177346 5.288586 6.216182 4.235050 6.021680 3.570117 4.317209 3.120059 4.434181 4.963064 4.336900 0.000000 2.554790 7.690252 3.418431 5.863477 3.598326 4.925914 4.629617 5.702867 4.082706 3.418201 1.104286 8.768522 8.086175 8.705874 3.077435 5.595772 4.087081 5.270410 5.010923 6.642312 4.308650 4.978718 4.338784 3.319896 4.433609 3.693644 1.783934 0.000000 2.524242 8.790682 4.125697 6.899883 4.816064 6.200569 5.099417 6.399194 3.293991 3.337918 1.106379 9.592200 9.364284 9.876010 4.566727 7.091839 5.727038 6.908227 5.101877 7.186850 3.092457 4.314222 3.596800 3.693505 4.337690 3.145400 1.789253 1.788931 0.000000 7.342714 2.542685 5.629009 3.348048 5.724720 4.749778 4.504722 3.207440 7.453407 8.632244 8.292243 1.105484 3.315300 4.078995 7.076957 5.511016 7.574552 6.883304 4.821679 2.469400 8.541886 7.226314 7.006085 8.901592 8.435583 9.586223 7.880365 8.552687 9.282642 0.000000 7.348480 2.542869 5.634146 3.352250 5.729261 4.753812 4.510088 3.212654 7.458736 8.304634 8.632232 1.105470 4.077780 3.312478 7.081185 5.514187 7.578214 6.886462 4.827116 2.474675 8.546484 7.005972 7.237184 8.566764 7.896496 9.294150 8.431494 8.899580 9.588033 1.792705 0.000000 8.593920 2.510307 6.767623 4.080886 6.604607 5.393079 5.764348 4.357292 8.863510 9.651568 9.643832 1.106036 3.274394 3.281540 7.863582 5.812007 8.124762 7.196360 6.208423 3.759028 9.965549 8.541817 8.546548 9.801139 9.353187 10.672321 9.340663 9.791335 10.665908 1.784386 1.784472 0.000000 8.794889 2.523415 6.904018 4.127161 6.204099 4.818071 6.402949 5.102042 9.597318 9.882993 9.364123 3.290966 1.106421 3.337439 7.095593 4.567106 6.911010 5.728098 7.190834 5.104057 10.672286 9.586120 9.294123 9.748787 9.864300 10.931096 9.032392 9.191725 10.465584 3.600798 4.309115 3.083158 0.000000 7.697644 2.555682 5.870958 3.422642 4.932564 3.603053 5.709910 4.635261 8.777025 8.715419 8.089055 4.081960 1.104254 3.418490 5.602279 3.078949 5.275100 4.089050 6.649552 5.015872 9.801234 8.901612 8.566871 8.454517 8.829812 9.748845 7.835622 7.769539 9.194449 4.341270 4.978686 4.302883 1.788827 0.000000 7.564295 2.525058 5.775889 3.378640 5.231835 4.052938 5.287465 4.151486 8.308500 8.879869 7.945371 3.286590 1.105499 4.107106 6.183463 4.135894 6.219830 5.288959 6.030739 4.241429 9.353118 8.435449 7.896443 8.829648 8.992827 9.864198 7.491269 7.834257 9.034350 3.122544 4.317568 3.560062 1.789189 1.784020 0.000000 7.690459 2.554787 5.863660 3.418553 4.926078 3.598462 5.703036 4.629756 8.768730 8.086428 8.706033 4.082719 3.418048 1.104287 5.595922 3.077512 5.270510 4.087136 6.642489 5.011049 9.791539 8.552882 8.899802 7.769676 7.834641 9.191974 8.818405 8.443727 9.740306 4.978716 4.338913 4.308572 3.693517 3.319658 4.433465 0.000000 8.790678 2.524233 6.899875 4.125689 6.200604 4.816111 6.399142 5.099354 9.592149 9.364293 9.876026 3.293868 3.338008 1.106379 7.091902 4.566829 6.908316 5.727148 7.186777 5.101780 10.665849 9.282526 9.588025 9.194370 9.034436 10.465600 9.855143 9.740183 10.925035 4.314098 3.596700 3.092282 3.145549 3.693562 4.337784 1.788933 0.000000 7.555988 2.524928 5.767404 3.374762 5.225147 4.049114 5.278935 4.144717 8.298006 7.943227 8.869263 3.288752 4.107058 1.105498 6.177134 4.136022 6.215940 5.288348 6.021608 4.235046 9.340538 7.880246 8.431469 7.835307 7.491207 9.032247 8.979444 8.818087 9.854961 4.317357 3.120301 3.570272 4.336987 4.434070 4.963077 1.783935 1.789253 0.000000 2.802904 6.463192 2.739108 4.704950 2.187915 3.476321 4.128757 4.919041 4.715832 2.926333 2.929979 7.814622 7.067277 7.062244 1.094157 3.909408 2.150586 3.430239 4.862831 5.992057 5.225031 5.210483 5.212943 2.295334 3.639594 3.706401 3.644349 2.298990 3.708761 7.885529 7.889882 8.784215 8.133068 6.648347 7.127373 6.641052 8.128564 7.119558 0.000000 6.463205 2.802850 4.704949 2.739086 3.476325 2.187913 4.919028 4.128736 7.814618 7.067322 7.062244 4.715780 2.926243 2.929953 3.909410 1.094159 3.430242 2.150591 5.992043 4.862806 8.784217 7.885497 7.889885 6.648317 7.127531 8.133083 7.119763 6.640889 8.128509 5.210408 5.212925 5.224971 3.706393 2.295250 3.639420 2.298993 3.708887 3.644165 5.003418 0.000000 5.253199 6.685213 4.682708 5.413329 3.467887 3.962932 5.891423 6.189757 7.150901 5.166764 5.167861 8.408784 6.896058 6.893390 2.165060 3.433358 1.095675 2.190964 6.836421 7.274289 7.701475 7.573374 7.576029 4.264889 5.708516 5.918899 5.710280 4.265282 5.918987 8.661107 8.664646 9.189441 7.839146 6.149323 7.177479 6.144813 7.836250 7.173520 2.477189 4.330758 0.000000 6.685246 5.253155 5.413339 4.682694 3.962939 3.467885 6.189757 5.891416 8.408806 6.896126 6.893417 7.150861 5.166682 5.167821 3.433360 2.165060 2.190965 1.095675 7.274291 6.836411 9.189473 8.661123 8.664655 6.149342 7.177667 7.839154 7.173774 6.144727 7.836154 7.573319 7.576020 7.701423 5.918898 4.264817 5.708327 4.265280 5.919120 5.710036 4.330754 2.477196 2.522069 0.000000 0.5685285 0.2042846 0.1670111 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= 235 235 235 235 235 MxSgAt= 42 MxSgA2= 42. 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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 42 42 42 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= 13530 NPrTT= 65428 LenC2= 12050 LenP2D= 36949. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 244 RedAO= T EigKep= 2.89D-04 NBF= 244 NBsUse= 244 1.00D-06 EigRej= -1.00D+00 NBFU= 244 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= 235 235 235 235 235 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 0 1 -1201.32292122927 -1201.54526866288 -0.222347433611 -1201.92159191321 -0.376323250328 -1201.92153869196 0.000053221252 -1201.92403195902 -0.002493267063 -1201.92419374465 -0.000161785625 -1201.92421108807 -0.000017343427 -1201.92419022727 0.000020860808 -1201.92419088140 -0.000000654134 -1201.92419088657 -0.000000005170 -1201.92419104917 -0.000000162604 -1201.92419107817 -0.000000028992 -1201.92419108001 -0.000000001845 -1201.92419108021 -0.000000000201 -1201.92419108024 -0.000000000026 -1201.92419108022 0.000000000014 -1201.92419108 16 1.197926848307e+03 -5.929506333778e+03 1.976979324173e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=454274105. IVT= 200170 IEndB= 200170 NGot= 939524096 MDV= 492602932 LenX= 492602932 LenY= 492542955 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= 29890 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -1.16036127e-03 9.63097817e-02 2.68556316e-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 14 14 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.001884551 -0.006791936 -0.002330352 0.002100721 -0.006776579 0.002351684 0.027322020 0.029540047 0.001777946 -0.027483446 0.029443232 -0.001703120 0.010242091 -0.001089675 0.000064612 -0.010272416 -0.000898531 -0.000138854 0.008664042 -0.002511334 0.000255226 -0.008589456 -0.002515519 -0.000288519 0.002187912 0.001902358 -0.000151260 0.004110635 0.001107478 -0.004191820 0.002503769 -0.000054315 0.005033401 -0.002152025 0.001936030 0.000241678 -0.004118925 0.001055923 0.004230174 -0.002438929 -0.000118786 -0.005131333 0.003155006 -0.028503198 0.000329667 -0.003245765 -0.028481070 -0.000262143 0.022672214 0.000766139 0.000074005 -0.022554759 0.000698119 -0.000098516 0.008731027 0.003119071 0.000089875 -0.008719217 0.003115805 -0.000087880 0.007123198 0.000975742 0.000006989 -0.002537345 0.004503870 -0.005042292 -0.002470369 0.004510577 0.005116222 -0.001295590 -0.007170304 -0.000698382 -0.002813283 0.001503761 -0.006521785 0.008049186 0.001179193 -0.001840939 -0.002336030 0.001492823 0.006981570 -0.001133084 -0.007270101 0.000888273 0.007759574 0.001362974 0.000973360 0.002523749 0.004460843 0.004988885 0.002482953 0.004531086 -0.005150776 -0.007174666 0.000982198 -0.000005930 -0.008061768 0.001172535 0.001857555 0.001272654 -0.007138200 0.000686337 0.002828192 0.001509756 0.006522509 0.001132316 -0.007240751 -0.000891513 -0.007845809 0.001378505 -0.000981440 0.002302141 0.001485832 -0.006943911 0.007810032 0.006722504 -0.000019704 -0.007819283 0.006733673 0.000010123 0.003796051 -0.005293797 0.000004000 -0.003822770 -0.005335973 -0.000003621 0.029540047 0.007986474 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -1201.94377807682 -1201.94380062146 -0.000022544640 -1201.94380047501 0.000000146453 -1201.94380069286 -0.000000217851 -1201.94380069993 -0.000000007065 -1201.94380070086 -0.000000000937 -1201.94380070084 0.000000000025 -1201.94380070082 0.000000000015 -1201.94380070 8 1.196527439699e+03 -5.862390533406e+03 1.944147331719e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=454274105. IVT= 200170 IEndB= 200170 NGot= 939524096 MDV= 492602932 LenX= 492602932 LenY= 492542955 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= 29890 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) alpha 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 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0.03744 0.01366 0.03816 -0.03662 -0.01196 0.06809 0.07485 -0.06986 -0.02448 0.01046 -0.00177 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 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 18 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 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 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 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 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|18 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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 0.74953 1.22058 0.89623 1.08465 0.80367 0.30125 1.97379 1.97452 1.97531 0.01071 0.01014 0.01013 0.43177 0.44410 0.44285 0.12629 0.15011 0.15165 0.74953 1.22058 0.89623 1.08465 0.80367 0.30125 1.97379 1.97452 1.97531 0.01071 0.01014 0.01013 0.43177 0.44410 0.44285 0.12629 0.15012 0.15164 1.17441 0.81383 0.72739 0.69470 0.94843 0.89998 0.73660 0.08376 0.01848 0.22938 1.17441 0.81383 0.72739 0.69470 0.94843 0.89998 0.73660 0.08377 0.01847 0.22938 1.17438 0.81370 0.75014 0.50640 0.90715 0.92060 0.76315 -0.34768 -0.01779 0.21347 1.17438 0.81370 0.75014 0.50640 0.90715 0.92060 0.76315 -0.34768 -0.01779 0.21347 1.17440 0.81394 0.75112 0.56727 0.91682 0.94220 0.74643 0.00653 0.15908 0.25920 1.17440 0.81394 0.75112 0.56726 0.91682 0.94220 0.74643 0.00652 0.15909 0.25920 1.17417 0.81441 0.70424 0.82868 0.90596 0.93704 0.90550 0.25756 0.28143 0.22750 1.17418 0.81443 0.70322 0.83391 0.90750 0.91256 0.92559 0.22479 0.24092 0.26600 1.17418 0.81442 0.70323 0.83388 0.90765 0.91254 0.92548 0.22513 0.24093 0.26578 1.17417 0.81441 0.70424 0.82868 0.90596 0.93704 0.90550 0.25756 0.28143 0.22750 1.17418 0.81443 0.70323 0.83391 0.90750 0.91257 0.92558 0.22479 0.24093 0.26599 1.17418 0.81442 0.70323 0.83388 0.90766 0.91253 0.92549 0.22513 0.24091 0.26579 1.17437 0.81391 0.75350 0.55029 0.93834 0.91888 0.75875 0.19020 0.06946 0.25371 1.17437 0.81391 0.75350 0.55029 0.93834 0.91889 0.75874 0.19020 0.06946 0.25370 1.17440 0.81409 0.75204 0.54435 0.91600 0.93830 0.75500 0.01052 0.12389 0.25008 1.17440 0.81409 0.75204 0.54435 0.91600 0.93830 0.75500 0.01053 0.12388 0.25008 0.51960 0.23837 0.51960 0.23837 0.50340 0.25528 0.50356 0.25855 0.50357 0.25847 0.50506 0.25552 0.50283 0.25594 0.50292 0.26594 0.50283 0.25593 0.50504 0.25532 0.50293 0.26593 0.50356 0.25855 0.50357 0.25847 0.50341 0.25528 0.50292 0.26594 0.50506 0.25552 0.50283 0.25594 0.50504 0.25533 0.50293 0.26593 0.50283 0.25593 0.52104 0.24173 0.52104 0.24173 0.51646 0.25615 0.51646 0.25615 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 Si Si C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H 1.242732 1.242725 -0.326949 -0.326946 0.316475 0.316467 -0.336981 -0.336983 -1.036470 -1.003102 -1.003241 -1.036470 -1.003096 -1.003232 -0.421426 -0.421413 -0.278656 -0.278658 0.242029 0.242029 0.241317 0.237889 0.237956 0.239418 0.241230 0.231141 0.241237 0.239641 0.231138 0.237891 0.237956 0.241316 0.231142 0.239413 0.241230 0.239632 0.231138 0.241239 0.237233 0.237229 0.227391 0.227391 0.00000 1.24580584e-06 6.36243738e-02 1.53934344e-05 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.0000 0.1617 0.0000 0.1617 -115.1788 -117.9132 -130.7501 -0.0001 -0.0948 0.0020 6.1019 3.3675 -9.4694 -0.0001 -0.0948 0.0020 -0.0087 -76.4279 -0.0496 -0.0041 -16.6428 -0.0167 -0.0028 -5.2545 -0.0247 0.0753 -6494.2723 -2098.0195 -695.4572 0.0295 14.1798 0.0469 -0.1008 17.1344 -0.1284 -1495.7947 -1295.1274 -505.4781 -0.0341 5.3619 0.0157 0 -1201.9438007 4.573E-9 3.12E-5 4.5366221,2.5036591,-7.0402812,-0.0000588,-0.0704585,0.0015209 C01 [X(C16H24Si2)] 0.0000012 0.0636244 0.0000154 @ -0.000037924 -0.000039834 0.000009899 0.000037554 -0.000039266 -0.000009973 0.000021864 0.000069412 -0.000019242 -0.000022148 0.000071407 0.000018906 -0.000163258 0.000007941 0.000001307 0.000163524 0.000007696 0.000000520 -0.000050298 -0.000008780 -0.000003203 0.000050333 -0.000008901 0.000004168 0.000024922 0.000024359 0.000011671 0.000013519 -0.000013418 -0.000021894 0.000019090 -0.000026065 0.000022696 -0.000024993 0.000024307 -0.000011963 -0.000014555 -0.000013416 0.000022130 -0.000019401 -0.000026238 -0.000023722 0.000025805 -0.000046492 -0.000001756 -0.000026138 -0.000047952 -0.000000696 0.000075427 0.000042693 -0.000000653 -0.000075714 0.000042460 0.000001354 -0.000015372 -0.000009056 0.000000008 0.000014973 -0.000008738 -0.000000583 -0.000020703 0.000013209 0.000013086 0.000010042 -0.000019307 0.000004011 -0.000012299 -0.000022634 -0.000007856 0.000000180 0.000019633 0.000005890 -0.000001341 -0.000010473 0.000020073 -0.000026833 0.000000807 0.000017063 0.000003839 -0.000002899 -0.000024066 0.000017664 0.000019753 0.000005946 -0.000017251 0.000013669 -0.000032378 -0.000009884 -0.000019075 -0.000004152 0.000012446 -0.000022999 0.000007772 0.000020773 0.000013107 -0.000012734 0.000027195 0.000000822 -0.000017051 0.000000097 0.000020350 -0.000005565 0.000001381 -0.000010322 -0.000019927 -0.000017927 0.000020293 -0.000006045 0.000017259 0.000013423 0.000032273 -0.000003894 -0.000002886 0.000024169 -0.000027421 -0.000010783 0.000005458 0.000029363 -0.000011320 -0.000005193 -0.000026351 -0.000002204 0.000002210 0.000026456 -0.000002283 -0.000001960 248.34219999999988 AuxInfo=1/0/N:9,10,11,12,13,14,17,18,15,16,7,8,5,6,3,4,1,2/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:42SiSiC3C3C3C3C3C3CCCCCCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s4s7;s1;s1;s1;s2;s2;s2;s5;s6;s15;s16s17;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 09 GINC-KIMIK2020 CBGUSER 000136815 EM64L-G09RevD.01 10-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 120 C1[X(C16H24Si2)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 248.34219999999988 0 1 AuxInfo=1/0/N:9,10,11,12,13,14,17,18,15,16,7,8,5,6,3,4,1,2/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:42SiSiC3C3C3C3C3C3CCCCCCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s4s7;s1;s1;s1;s2;s2;s2;s5;s6;s15;s16s17;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-31674.inp" -scrdir="/scratch/" chk=000136815-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 000136815 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 28 28 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 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| 0.000164 0.000031 0.014342 0.003925 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.034488e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 1519.7719852054 244 552 244 74 74 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 42 42 42 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 0 248.34219999999988 AuxInfo=1/0/N:9,10,11,12,13,14,17,18,15,16,7,8,5,6,3,4,1,2/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:42SiSiC3C3C3C3C3C3CCCCCCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s4s7;s1;s1;s1;s2;s2;s2;s5;s6;s15;s16s17;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.778732 0.000000 1.930985 4.853349 0.000000 4.853350 1.930983 2.924781 0.000000 2.994827 4.342373 1.450408 2.523824 0.000000 4.342381 2.994815 2.523825 1.450404 1.458575 0.000000 2.878413 4.239425 1.403489 2.479831 2.439189 2.834443 0.000000 4.239422 2.878418 2.479832 1.403489 2.834445 2.439186 1.429093 0.000000 1.915190 7.501654 3.122343 5.696226 4.510282 5.626899 3.262315 4.661895 0.000000 1.919070 7.728334 3.174464 5.853547 3.793557 5.143337 4.202949 5.429777 3.098234 0.000000 1.919026 7.723150 3.171869 5.848224 3.790935 5.138985 4.198761 5.424536 3.099758 3.152499 0.000000 7.501664 1.915192 5.696236 3.122345 5.626903 4.510276 4.661909 3.262327 7.760587 8.589266 8.582806 0.000000 7.728325 1.919069 5.853540 3.174465 5.143316 3.793534 5.429786 4.202967 8.589246 8.846812 8.261765 3.098226 0.000000 7.723164 1.919023 5.848230 3.171870 5.138986 3.790932 5.424539 4.198761 8.582819 8.261792 8.838790 3.099773 3.152479 0.000000 3.303138 5.476760 2.518882 3.818239 1.436993 2.484212 3.770195 4.270564 5.129181 3.643732 3.643738 6.939522 6.046582 6.042444 0.000000 5.476778 3.303102 3.818244 2.518868 2.484218 1.436992 4.270561 3.770185 6.939527 6.046630 6.042448 5.129152 3.643664 3.643722 2.815335 0.000000 4.691429 5.628909 3.803643 4.317664 2.477774 2.867264 4.916869 5.120092 6.524726 4.843272 4.842755 7.324521 5.938194 5.935563 1.395711 2.442623 0.000000 5.628941 4.691390 4.317676 3.803630 2.867271 2.477771 5.120095 4.916863 7.324541 5.938259 5.935585 6.524696 4.843198 4.842726 2.442626 1.395710 1.427329 0.000000 2.969900 5.042549 2.170976 3.446511 3.445285 3.929792 1.096347 2.168652 2.661612 4.359438 4.355573 5.108490 6.266012 6.260467 4.679807 5.366348 5.909331 6.198138 0.000000 5.042544 2.969912 3.446512 2.170978 3.929795 3.445282 2.168652 1.096347 5.108471 6.266000 6.260458 2.661632 4.359465 4.355580 5.366351 4.679795 6.198135 5.909323 2.449859 0.000000 2.510309 8.593912 4.080888 6.767616 5.393089 6.604609 4.357282 5.764336 1.106037 3.274370 3.281568 8.863510 9.651561 9.643836 5.812045 7.863594 7.196401 8.124792 3.759008 6.208404 0.000000 2.542695 7.342652 3.348019 5.628950 4.749768 5.724688 3.207361 4.504640 1.105485 3.315362 4.078991 7.453344 8.632169 8.292221 5.511054 7.076942 6.883341 7.574566 2.469288 4.821581 1.784385 0.000000 2.542855 7.348514 3.352274 5.634176 4.753827 5.729278 3.212706 4.510135 1.105470 4.077779 3.312399 7.458790 8.304644 8.632290 5.514198 7.081194 6.886471 7.578224 2.474745 4.827168 1.784474 1.792705 0.000000 2.555681 7.697556 3.422576 5.870875 3.603003 4.932503 4.635172 5.709816 4.081965 1.104253 3.418576 8.776947 8.715338 8.088968 3.078975 5.602254 4.089089 5.275110 5.015786 6.649455 4.302891 4.341296 4.978678 0.000000 2.525055 7.564388 3.378690 5.775973 4.053049 5.231951 4.151495 5.287502 3.286537 1.105499 4.107117 8.308586 8.879956 7.945501 4.136063 6.183623 5.289143 6.220011 4.241396 6.030761 3.559932 3.122546 4.317537 1.784017 0.000000 2.523419 8.794904 4.127163 6.904029 4.818066 6.204101 5.102056 6.402966 3.291040 1.106421 3.337407 9.597366 9.882980 9.364159 4.567110 7.095604 5.728102 6.911019 5.104081 7.190860 3.083202 3.600966 4.309153 1.788831 1.789190 0.000000 2.524921 7.556135 3.374872 5.767554 4.049294 5.225334 4.144793 5.279042 3.288590 4.107061 1.105497 8.298106 7.943395 8.869428 4.136227 6.177346 5.288586 6.216183 4.235050 6.021680 3.570117 4.317209 3.120058 4.434181 4.963064 4.336900 0.000000 2.554790 7.690252 3.418431 5.863476 3.598326 4.925914 4.629617 5.702867 4.082705 3.418200 1.104286 8.768523 8.086175 8.705874 3.077436 5.595772 4.087081 5.270411 5.010923 6.642312 4.308650 4.978718 4.338784 3.319895 4.433608 3.693643 1.783934 0.000000 2.524242 8.790683 4.125696 6.899883 4.816064 6.200570 5.099418 6.399194 3.293992 3.337918 1.106379 9.592201 9.364284 9.876010 4.566728 7.091839 5.727038 6.908227 5.101877 7.186850 3.092457 4.314223 3.596801 3.693505 4.337691 3.145400 1.789253 1.788930 0.000000 7.342713 2.542685 5.629009 3.348049 5.724721 4.749778 4.504722 3.207440 7.453406 8.632243 8.292243 1.105485 3.315300 4.078995 7.076957 5.511016 7.574552 6.883304 4.821679 2.469399 8.541886 7.226314 7.006085 8.901592 8.435583 9.586223 7.880365 8.552687 9.282642 0.000000 7.348479 2.542869 5.634146 3.352250 5.729261 4.753812 4.510088 3.212654 7.458735 8.304633 8.632232 1.105469 4.077779 3.312478 7.081184 5.514187 7.578213 6.886461 4.827116 2.474675 8.546485 7.005972 7.237184 8.566763 7.896496 9.294150 8.431493 8.899580 9.588033 1.792704 0.000000 8.593919 2.510307 6.767623 4.080886 6.604607 5.393078 5.764348 4.357292 8.863510 9.651567 9.643831 1.106036 3.274394 3.281540 7.863581 5.812007 8.124761 7.196359 6.208422 3.759027 9.965549 8.541816 8.546547 9.801139 9.353187 10.672321 9.340662 9.791335 10.665907 1.784385 1.784472 0.000000 8.794888 2.523415 6.904018 4.127161 6.204099 4.818071 6.402949 5.102042 9.597318 9.882993 9.364123 3.290967 1.106422 3.337439 7.095592 4.567106 6.911009 5.728097 7.190834 5.104056 10.672287 9.586120 9.294123 9.748787 9.864299 10.931096 9.032392 9.191725 10.465584 3.600798 4.309115 3.083157 0.000000 7.697644 2.555682 5.870958 3.422642 4.932564 3.603052 5.709910 4.635261 8.777025 8.715418 8.089055 4.081961 1.104254 3.418490 5.602279 3.078948 5.275099 4.089050 6.649552 5.015872 9.801234 8.901613 8.566871 8.454517 8.829812 9.748845 7.835623 7.769540 9.194449 4.341270 4.978685 4.302883 1.788827 0.000000 7.564295 2.525058 5.775889 3.378640 5.231835 4.052937 5.287465 4.151486 8.308500 8.879869 7.945371 3.286591 1.105499 4.107107 6.183462 4.135894 6.219829 5.288958 6.030739 4.241428 9.353118 8.435449 7.896442 8.829648 8.992827 9.864198 7.491269 7.834257 9.034350 3.122545 4.317569 3.560062 1.789190 1.784020 0.000000 7.690459 2.554787 5.863661 3.418553 4.926079 3.598462 5.703036 4.629756 8.768730 8.086428 8.706033 4.082719 3.418048 1.104287 5.595922 3.077513 5.270510 4.087136 6.642489 5.011049 9.791539 8.552882 8.899802 7.769676 7.834641 9.191974 8.818406 8.443728 9.740307 4.978716 4.338912 4.308572 3.693517 3.319658 4.433466 0.000000 8.790677 2.524233 6.899875 4.125689 6.200604 4.816111 6.399142 5.099354 9.592148 9.364293 9.876026 3.293868 3.338008 1.106379 7.091902 4.566829 6.908316 5.727148 7.186777 5.101779 10.665849 9.282525 9.588025 9.194370 9.034436 10.465600 9.855142 9.740183 10.925035 4.314098 3.596699 3.092281 3.145549 3.693562 4.337784 1.788933 0.000000 7.555988 2.524929 5.767405 3.374762 5.225148 4.049114 5.278936 4.144717 8.298006 7.943226 8.869264 3.288753 4.107057 1.105497 6.177134 4.136022 6.215940 5.288347 6.021608 4.235047 9.340538 7.880246 8.431469 7.835307 7.491208 9.032248 8.979444 8.818087 9.854962 4.317358 3.120301 3.570273 4.336987 4.434069 4.963078 1.783934 1.789252 0.000000 2.802904 6.463192 2.739109 4.704950 2.187915 3.476322 4.128758 4.919041 4.715832 2.926333 2.929980 7.814623 7.067277 7.062245 1.094158 3.909409 2.150586 3.430240 4.862831 5.992058 5.225032 5.210483 5.212943 2.295335 3.639594 3.706401 3.644350 2.298990 3.708761 7.885529 7.889882 8.784215 8.133068 6.648347 7.127373 6.641053 8.128565 7.119558 0.000000 6.463205 2.802850 4.704950 2.739086 3.476325 2.187912 4.919028 4.128736 7.814618 7.067322 7.062245 4.715780 2.926242 2.929953 3.909411 1.094160 3.430242 2.150591 5.992044 4.862806 8.784218 7.885498 7.889886 6.648317 7.127531 8.133083 7.119764 6.640889 8.128509 5.210408 5.212924 5.224970 3.706392 2.295250 3.639419 2.298993 3.708886 3.644165 5.003419 0.000000 5.253199 6.685213 4.682708 5.413329 3.467887 3.962933 5.891424 6.189757 7.150901 5.166764 5.167861 8.408785 6.896058 6.893391 2.165061 3.433358 1.095676 2.190965 6.836422 7.274289 7.701475 7.573374 7.576029 4.264889 5.708516 5.918899 5.710281 4.265282 5.918987 8.661107 8.664646 9.189441 7.839146 6.149323 7.177479 6.144814 7.836251 7.173521 2.477189 4.330759 0.000000 6.685246 5.253155 5.413339 4.682693 3.962938 3.467884 6.189758 5.891415 8.408805 6.896126 6.893417 7.150861 5.166681 5.167821 3.433360 2.165060 2.190965 1.095675 7.274291 6.836410 9.189473 8.661123 8.664655 6.149342 7.177667 7.839154 7.173774 6.144728 7.836154 7.573318 7.576019 7.701422 5.918898 4.264816 5.708326 4.265280 5.919119 5.710035 4.330755 2.477196 2.522070 0.000000 C16H24Si2 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 0 248.34219999999988 AuxInfo=1/0/N:9,10,11,12,13,14,17,18,15,16,7,8,5,6,3,4,1,2/E:(1,2,3,4,5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/CRV:7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:42SiSiC3C3C3C3C3C3CCCCCCC3C3C3C3HHHHHHHHHHHHHHHHHHHHHHHH/rB:;s1;s2;s3;s4s5;s3;s4s7;s1;s1;s1;s2;s2;s2;s5;s6;s15;s16s17;s7;s8;s9;s9;s9;s10;s10;s10;s11;s11;s11;s12;s12;s12;s13;s13;s13;s14;s14;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5685286 0.2042846 0.1670111 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= 13530 NPrTT= 65428 LenC2= 12050 LenP2D= 36949. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 244 RedAO= T EigKep= 2.89D-04 NBF= 244 NBsUse= 244 1.00D-06 EigRej= -1.00D+00 NBFU= 244 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= 234 234 234 234 234 MxSgAt= 42 MxSgA2= 42. 1 Closed 1 0 1 -1201.37929196607 -1201.58034098013 -0.201049014065 -1201.93965278998 -0.359311809849 -1201.93761621186 0.002036578123 -1201.94317590926 -0.005559697403 -1201.94362380307 -0.000447893806 -1201.94363211901 -0.000008315942 -1201.94363434705 -0.000002228042 -1201.94380022974 -0.000165882690 -1201.94380077548 -0.000000545734 -1201.94380055227 0.000000223210 -1201.94380086218 -0.000000309912 -1201.94380086287 -0.000000000688 -1201.94380086321 -0.000000000347 -1201.94380086325 -0.000000000033 -1201.94380086321 0.000000000034 -1201.94380086 16 1.196527436360e+03 -5.862390582712e+03 1.944147360283e+03 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=454274513. IVT= 200578 IEndB= 200578 NGot= 939524096 MDV= 492602524 LenX= 492602524 LenY= 492542547 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= 29890 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= 42. Will process 43 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111 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= 939523428 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=454086199. 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= 29890 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 129 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 126 vectors produced by pass 0 Test12= 1.26D-14 1.00D-09 XBig12= 5.70D+02 1.46D+01. AX will form 126 AO Fock derivatives at one time. 126 vectors produced by pass 1 Test12= 1.26D-14 1.00D-09 XBig12= 1.10D+02 2.17D+00. 126 vectors produced by pass 2 Test12= 1.26D-14 1.00D-09 XBig12= 5.20D-01 8.25D-02. 126 vectors produced by pass 3 Test12= 1.26D-14 1.00D-09 XBig12= 1.02D-04 1.26D-03. 65 vectors produced by pass 4 Test12= 1.26D-14 1.00D-09 XBig12= 2.03D-08 2.35D-05. 8 vectors produced by pass 5 Test12= 1.26D-14 1.00D-09 XBig12= 4.89D-12 2.38D-07. 2 vectors produced by pass 6 Test12= 1.26D-14 1.00D-09 XBig12= 1.64D-15 5.07D-09. InvSVY: IOpt=1 It= 1 EMax= 2.49D-14 Solved reduced A of dimension 579 with 129 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 228.37 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 283.628 0.000 250.924 0.064 0.000 150.545 464.739 -0.001 519.680 0.163 -0.001 240.976 (Enter /mnt/data/applications/G09/g09/l716.exe) PT3690.100S 2017-07-10T16:00:10.000+02:00 -65.43574 -65.43574 -9.91448 -9.91428 -9.90435 -9.90408 -9.90191 -9.90190 -9.90037 -9.90011 -9.89441 -9.89438 -9.86945 -9.86945 -9.86802 -9.86802 -9.86797 -9.86797 -5.05646 -5.05645 -3.46709 -3.46709 -3.46680 -3.46680 -3.46651 -3.46650 -0.78612 -0.73867 -0.69531 -0.66577 -0.65036 -0.64146 -0.63069 -0.60749 -0.60733 -0.60666 -0.60666 -0.55817 -0.54652 -0.52599 -0.45805 -0.45066 -0.43806 -0.42442 -0.39388 -0.39003 -0.38850 -0.36695 -0.36314 -0.36093 -0.36001 -0.35609 -0.35529 -0.35314 -0.34927 -0.34453 -0.34259 -0.33826 -0.33771 -0.33553 -0.33372 -0.33311 -0.30923 -0.29063 -0.28896 -0.27712 -0.27184 -0.26061 -0.26031 -0.25963 -0.24254 -0.23978 -0.21799 -0.19107 -0.07050 -0.03883 -0.01661 0.04673 0.05978 0.06008 0.06427 0.06534 0.07415 0.07895 0.09443 0.09595 0.10329 0.11365 0.12354 0.12583 0.12615 0.13203 0.13334 0.13868 0.14221 0.14875 0.15031 0.15551 0.15971 0.16429 0.16667 0.18179 0.18415 0.18563 0.18908 0.19262 0.20221 0.20537 0.20805 0.20822 0.21313 0.22168 0.22495 0.23614 0.23615 0.24605 0.25183 0.25746 0.25783 0.25851 0.26611 0.28042 0.28218 0.28915 0.28999 0.29500 0.30532 0.30712 0.32109 0.32171 0.32965 0.33409 0.33416 0.33557 0.33974 0.35297 0.37501 0.37830 0.38190 0.38578 0.39906 0.40759 0.40968 0.41211 0.41261 0.41401 0.41805 0.42807 0.42914 0.45086 0.45499 0.45821 0.45932 0.47821 0.49511 0.50296 0.51037 0.51809 0.52334 0.53078 0.53336 0.56785 0.58139 0.59360 0.59576 0.62513 0.62542 0.63663 0.63689 0.64945 0.68252 0.68874 0.72350 0.74143 0.79793 0.80113 0.84794 0.86345 0.87140 0.89988 0.90091 0.90324 0.91427 0.94226 0.95304 0.96305 0.98236 0.98748 1.01007 1.02413 1.04249 1.04570 1.06083 1.08636 1.09261 1.09315 1.09487 1.10353 1.10862 1.11703 1.12115 1.12605 1.12910 1.15026 1.15137 1.15467 1.17380 1.19368 1.20101 1.21894 1.24107 1.27296 1.29165 1.33468 1.36242 1.40398 1.48355 1.51111 5.00391 5.02069 5.07047 5.07661 5.11825 5.16360 5.63827 5.68365 22.34228 22.49034 22.57903 22.58948 22.59941 22.60254 22.60692 22.62178 22.63099 22.63124 22.66069 22.68784 22.73740 22.74959 22.79465 22.82480 142.99326 143.04885 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 Si Si C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H H 1.242731 1.242722 -0.326949 -0.326945 0.316476 0.316467 -0.336981 -0.336982 -1.036470 -1.003109 -1.003234 -1.036469 -1.003104 -1.003225 -0.421427 -0.421413 -0.278656 -0.278658 0.242029 0.242029 0.241316 0.237889 0.237956 0.239420 0.241231 0.231142 0.241236 0.239639 0.231137 0.237891 0.237956 0.241316 0.231143 0.239415 0.241231 0.239630 0.231137 0.241238 0.237233 0.237229 0.227391 0.227392 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 Si Si C C C C C C C C C C C C C C C C 1.242731 1.242722 -0.326949 -0.326945 0.316476 0.316467 -0.094952 -0.094954 -0.319308 -0.291316 -0.291222 -0.319307 -0.291314 -0.291219 -0.184194 -0.184184 -0.051265 -0.051267 0.00000 -2.46098901e-06 -6.36239666e-02 -5.10091556e-06 2.83627885e+02 -9.39395142e-05 2.50924218e+02 6.44067191e-02 -1.57760305e-04 1.50545212e+02 -8.2739 -0.0020 -0.0012 -0.0009 7.5233 15.8036 41.1793 46.3209 68.5939 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 41.1767 46.3196 68.5613 79.3169 89.0397 89.0775 90.1964 95.8745 107.2412 138.2004 152.8296 160.5627 178.3321 182.2197 185.0731 186.2559 194.2688 199.6431 207.1589 214.7166 226.7947 243.4139 258.0237 311.0314 340.1517 394.9648 431.4342 457.1616 470.8882 524.2578 544.1835 591.7994 599.8237 621.1816 646.1058 667.6471 687.7167 688.3532 688.8488 689.0775 741.8982 742.1829 764.8513 788.7947 802.1384 806.4275 809.4021 811.3862 818.0205 857.7484 862.8676 889.2682 900.8192 901.4923 902.1553 902.6529 907.8289 932.5864 962.0847 965.3585 985.7333 989.2041 1037.7621 1111.0685 1148.5369 1177.2645 1206.2865 1228.0121 1271.7846 1291.9835 1292.5110 1295.7319 1295.7730 1306.7709 1306.8181 1322.5269 1366.2627 1384.5941 1431.5825 1440.3103 1440.3284 1442.3811 1447.0354 1448.0143 1448.6970 1448.9811 1450.7226 1451.1611 1458.9461 1458.9854 1464.4633 1464.5737 1511.2338 1554.8004 1572.3780 1620.7585 2979.2937 2979.3353 2981.5657 2981.5778 2982.2709 2982.4175 3078.8665 3078.9947 3080.7366 3080.7846 3082.8489 3083.0116 3085.4490 3085.4954 3092.4871 3092.4935 3093.0201 3093.1661 3117.0521 3125.2669 3139.1297 3140.5195 3156.7282 3166.7741 3.5380 2.9315 3.0673 2.3080 1.0728 1.1660 1.4160 1.0261 1.8160 3.2938 2.9257 3.0747 1.7578 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