Gaussian 09 GINC-KIMIK2106 CBGUSER 000142420 EM64L-G09RevD.01 17-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 139.95749999999998 0 1 AuxInfo=1/0/N:2,3,4,5,6,1/CRV:2.2,3.2,4.2,5.2/rA:9BrCC2C2C2C2HHH/rB:;s2;s3;s4;s1s5;s2;s2;s2;/rC:;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-19460.inp" -scrdir="/scratch/" chk=000142420.chk nprocshared=8 mem=21GB #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 000142420 1 2 3 4 5 6 7 8 9 79 12 12 12 12 12 1 1 1 78.9183361 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 3 0 0 0 0 0 1 1 1 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 1 2 2 2 2 3 4 5 6 3 7 8 9 4 5 6 1.9002 1.4623 1.0942 1.0942 1.0941 1.2006 1.372 1.2001 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 3 3 3 7 7 8 2 2 2 2 2 2 7 8 9 8 9 9 110.8337 110.8341 110.8389 108.0686 108.0793 108.0714 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A7 A8 A9 A10 A11 A12 A13 A14 2 3 4 1 2 3 4 1 3 4 5 6 3 4 5 6 4 5 6 5 4 5 6 5 8 9 8 8 8 9 8 8 -1 -1 -1 -1 -2 -2 -2 -2 179.9974 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 180.0023 179.9811 180.0078 180.0349 180.0015 179.8829 180.0902 D1 D2 D3 D4 3 3 3 7 2 2 2 2 8 9 9 9 7 7 8 8 -121.6298 121.6396 -121.6351 116.7253 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 36 100 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 9 9 9 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= 861 NPrTT= 4306 LenC2= 840 LenP2D= 3255. LDataN: DoStor=T MaxTD1= 5 Len= 102 NBasis= 67 RedAO= T EigKep= 1.84D-03 NBF= 67 NBsUse= 67 1.00D-06 EigRej= -1.00D+00 NBFU= 67 Using GEDIIS/GDIIS optimizer. local minimum Step number 3 out of a maximum of 36 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.02459 0.02459 0.04726 0.04726 0.04733 0.04733 0.04733 0.04734 0.05047 0.05912 0.08362 0.15962 0.16000 0.22141 0.33761 0.34336 0.34344 0.36343 0.47417 1.00731 1.04645 RFO step: Lambda=-2.45401766D-06 EMin= 2.45914074D-02 1 2 0.00098821 0.00000092 0.00000105 0.00000015 R1 R2 R3 R4 R5 R6 R7 R8 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 D1 D2 D3 D4 3.46703 2.76981 2.08979 2.08978 2.08981 2.34542 2.59226 2.34326 1.93836 1.93843 1.93838 1.88215 1.88206 1.88202 3.14159 3.14175 3.14140 3.14149 3.14186 3.14164 3.13996 3.14297 -2.12759 2.12750 -2.12757 2.02811 -0.00059 -0.00029 0.00004 0.00004 0.00004 0.00007 -0.00030 0.00010 0.00002 0.00003 0.00006 -0.00002 -0.00005 -0.00005 0.00000 -0.00002 0.00002 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00004 0.00003 -0.00004 -0.00007 -0.00018 0.00002 -0.00003 -0.00003 -0.00003 -0.00004 0.00017 -0.00004 -0.00003 -0.00003 -0.00002 0.00003 0.00003 0.00003 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00003 -0.00003 0.00003 0.00006 -0.00252 -0.00086 0.00020 0.00020 0.00020 0.00016 -0.00111 0.00019 0.00060 0.00058 0.00056 -0.00066 -0.00059 -0.00059 0.00009 -0.00061 0.00040 0.00022 -0.00003 0.00000 0.00021 -0.00010 -0.00067 0.00070 -0.00068 -0.00138 -0.00270 -0.00084 0.00016 0.00016 0.00017 0.00012 -0.00094 0.00015 0.00057 0.00055 0.00054 -0.00063 -0.00057 -0.00056 0.00009 -0.00061 0.00041 0.00022 -0.00003 0.00000 0.00021 -0.00010 -0.00064 0.00067 -0.00065 -0.00132 3.46433 2.76897 2.08995 2.08994 2.08998 2.34554 2.59132 2.34342 1.93893 1.93899 1.93892 1.88152 1.88149 1.88146 3.14168 3.14114 3.14181 3.14171 3.14183 3.14164 3.14017 3.14288 -2.12823 2.12817 -2.12822 2.02679 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000587 0.000147 0.002832 0.000988 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -1.239630e-06 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 1 2 2 2 2 3 4 5 6 3 7 8 9 4 5 6 1.8347 1.4657 1.1059 1.1059 1.1059 1.2411 1.3718 1.24 -DE/DX = -0.0006|-DE/DX = -0.0003|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0003|-DE/DX = 0.0001 A1 A2 A3 A4 A5 A6 3 3 3 7 7 8 2 2 2 2 2 2 7 8 9 8 9 9 111.0598 111.0641 111.061 107.8391 107.8341 107.832 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001 A7 A8 A9 A10 A11 A12 A13 2 3 4 1 2 3 4 3 4 5 6 3 4 5 4 5 6 5 4 5 6 8 9 8 8 8 9 8 -1 -1 -1 -1 -2 -2 -2 180.0 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 180.0092 179.9892 179.9942 180.0156 180.0025 179.9067 D1 D2 D3 3 3 3 2 2 2 8 9 9 7 7 8 -121.9021 121.8969 -121.9009 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 139.95749999999998 AuxInfo=1/0/N:2,3,4,5,6,1/CRV:2.2,3.2,4.2,5.2/rA:9BrCC2C2C2C2HHH/rB:;s2;s3;s4;s1s5;s2;s2;s2;/rC:;;;;;;;;; 0.000000 7.135200 0.000000 5.672900 1.462300 0.000000 4.472300 2.662900 1.200600 0.000000 3.100300 4.034900 2.572600 1.372000 0.000000 1.900200 5.235000 3.772700 2.572100 1.200100 0.000000 7.593532 1.094152 2.115082 3.218909 4.540844 5.716479 0.000000 7.593383 1.094165 2.115098 3.218801 4.540676 5.716261 1.771156 0.000000 7.593687 1.094063 2.115079 3.218736 4.540604 5.716377 1.771192 1.771115 0.000000 159.8514597 0.5180332 0.5180331 -0.79199 -0.73803 -0.70461 -0.65465 -0.55058 -0.44637 -0.42438 -0.39805 -0.39803 -0.33253 -0.33253 -0.28915 -0.28915 -0.22045 -0.22045 -0.07998 -0.03989 -0.03989 0.04359 0.05033 0.05033 0.07561 0.11679 0.11680 0.12868 0.16779 0.19347 0.19353 0.20336 0.23210 0.23212 0.24220 0.26873 0.28776 0.28776 0.34259 0.35374 0.35375 0.44367 0.44367 0.48473 0.48474 0.51843 0.54562 0.58982 0.58984 0.70867 0.82534 0.87889 0.93090 1.03909 1.03918 1.10612 1.11040 1.20337 1.26782 8.32227 22.24966 22.52985 22.61586 22.79151 22.86032 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 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 -9.95583 -9.93521 -9.92605 -9.92473 -9.92102 -0.79199 -0.73803 -0.70461 -0.65465 -0.55058 -0.44637 -0.42438 -0.39805 -0.39803 -0.33253 -0.33253 -0.28915 -0.28915 -0.22045 -0.22045 -0.07998 -0.03989 -0.03989 0.04359 0.05033 0.05033 0.07561 0.11679 0.11680 0.12868 0.16779 0.19347 0.19353 0.20336 0.23210 0.23212 0.24220 0.26873 0.28776 0.28776 0.34259 0.35374 0.35375 0.44367 0.44367 0.48473 0.48474 0.51843 0.54562 0.58982 0.58984 0.70867 0.82534 0.87889 0.93090 1.03909 1.03918 1.10612 1.11040 1.20337 1.26782 8.32227 22.24966 22.52985 22.61586 22.79151 22.86032 0.00014 -0.00062 -0.00035 -0.00013 0.00001 0.54743 -0.11140 -0.15181 -0.09500 0.09996 0.18898 -0.03592 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.21104 0.00006 0.00016 -0.02083 0.00000 0.00000 -0.03387 -0.00009 -0.00009 -0.05011 -0.11125 -0.00005 -0.00001 0.03668 0.00011 0.00007 -0.07528 -0.17776 0.00011 -0.00012 0.13901 -0.00006 -0.00016 0.00001 -0.00001 0.00007 -0.00009 -0.11449 0.02609 0.00004 0.00019 0.10340 -0.05362 0.03319 0.01544 -0.00001 0.00000 0.06656 -0.04523 0.04358 -0.02969 2.39787 0.05206 0.01269 -0.00612 0.04985 -0.06996 -0.00042 0.00428 0.00113 0.00044 -0.00176 0.35572 -0.09731 -0.13452 -0.08874 0.14741 0.16659 -0.01385 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00004 0.00000 -0.54222 0.00015 0.00039 -0.14125 -0.00001 0.00001 -0.35343 -0.00060 -0.00030 -0.38606 -0.88219 -0.00015 -0.00059 0.08768 0.00116 0.00069 -0.75070 -1.38949 0.00094 -0.00095 0.97024 -0.00051 -0.00120 0.00012 -0.00018 0.00060 -0.00104 -0.98394 0.50849 0.00035 0.00201 0.78891 -0.43773 0.23182 0.11649 -0.00015 -0.00006 0.39550 -0.65568 0.41350 -0.32319 -5.64837 -0.16439 0.01305 -0.00661 -0.16125 0.29356 -0.00032 0.00001 0.00000 0.00003 0.00048 -0.10951 0.00415 -0.01377 -0.03021 0.08746 0.48705 -0.12460 -0.00001 -0.00001 0.00019 0.00002 0.00027 0.00004 0.00018 0.00000 0.57034 -0.00020 -0.00040 -0.26075 -0.00005 -0.00003 -0.00365 -0.00006 0.00004 0.01746 -0.04038 -0.00022 0.00030 0.15883 -0.00008 -0.00013 0.09813 -0.31687 0.00011 -0.00016 0.65914 -0.00019 -0.00064 0.00016 -0.00009 -0.00063 0.00148 0.78032 -0.41431 -0.00009 -0.00136 -0.43596 0.22166 -0.13844 -0.07139 0.00003 0.00000 -0.36683 -0.06930 -0.01173 0.12856 0.10594 0.00301 -0.01192 0.00918 -0.02048 -0.01423 0.00000 0.00000 0.00000 0.00000 0.00000 0.00005 0.00000 0.00000 0.00001 -0.00005 -0.00024 0.00006 0.00896 -0.00064 0.39913 -0.02029 0.52463 -0.02160 0.30431 0.01665 -0.00039 -0.11814 -0.08313 0.00008 -0.20211 -0.08423 0.00009 0.03672 0.08607 -0.00008 0.00002 -0.00477 -0.02064 0.00008 0.04590 0.00164 0.00005 0.00011 -0.09651 0.03331 -0.00021 -0.03154 -0.01607 0.75314 -0.91099 -0.22155 0.29274 -0.00065 0.00012 -0.00532 -0.01690 0.00015 -0.00001 0.00002 0.00001 -0.00018 0.00229 0.00015 0.00002 -0.00001 -0.00004 -0.00005 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00004 0.00001 0.00064 0.00897 0.02029 0.39914 0.02160 0.52462 -0.01665 0.30430 -0.00010 0.08313 -0.11814 0.00001 0.08423 -0.20211 0.00003 -0.08607 0.03671 0.00009 0.00003 -0.02067 0.00478 -0.00008 -0.00164 0.04591 0.00006 0.00005 -0.03331 -0.09650 0.00000 0.01608 -0.03152 -0.91097 -0.75315 0.29280 0.22151 -0.00010 -0.00001 -0.01690 0.00532 0.00001 0.00001 -0.00001 -0.00001 0.00229 0.00018 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00048 -0.00156 0.00002 0.00003 0.00058 -0.01094 0.01394 0.01616 0.00635 -0.02188 0.11401 -0.04576 -0.00001 0.00000 0.00007 0.00001 0.00012 0.00002 0.00011 0.00000 0.73589 -0.00030 -0.00062 -0.32063 -0.00007 -0.00006 0.19437 0.00043 0.00056 0.26827 0.56121 0.00026 -0.00015 -0.25708 -0.00092 -0.00048 0.53267 1.37533 -0.00092 0.00096 -2.15400 0.00104 0.00242 -0.00030 0.00023 0.00071 -0.00181 -0.56854 0.26473 -0.00013 0.00060 0.05809 0.06461 -0.16674 -0.23319 0.00005 0.00002 -0.02311 0.25953 0.04727 0.13775 2.22065 0.06744 -0.03159 0.00886 0.05643 -0.09535 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00003 -0.00006 0.00004 0.00204 -0.00015 0.14699 -0.00747 0.23406 -0.00963 0.17958 0.00983 -0.00046 -0.13048 -0.09181 0.00008 -0.31110 -0.12965 0.00006 0.07226 0.16936 -0.00033 -0.00030 -0.03119 -0.13477 0.00062 -0.08912 -0.00319 -0.00034 -0.00046 0.16485 -0.05689 0.00138 0.26949 0.13739 -1.15438 1.39633 0.58060 -0.76723 0.00059 0.00049 -0.12437 -0.39519 -0.00008 -0.00037 0.00014 0.00006 0.00229 -0.02935 0.00024 -0.00028 0.00027 -0.00024 -0.00111 -0.00003 0.00003 -0.00002 -0.00003 0.00011 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00015 0.00204 0.00747 0.14700 0.00964 0.23406 -0.00983 0.17957 -0.00011 0.09181 -0.13048 0.00000 0.12965 -0.31110 0.00000 -0.16934 0.07223 0.00013 -0.00010 -0.13480 0.03117 -0.00029 0.00320 -0.08916 -0.00019 -0.00025 0.05690 0.16485 0.00024 -0.13740 0.26948 1.39629 1.15441 -0.76729 -0.58053 0.00013 -0.00036 -0.39520 0.12440 -0.00011 0.00003 -0.00001 0.00001 -0.02938 -0.00235 -0.00001 -0.00007 0.00004 0.00002 -0.00015 0.00000 0.00000 0.00000 -0.00002 0.00001 -0.00003 0.00025 -0.00072 -0.00026 -0.00020 -0.00208 -0.00396 -0.00433 -0.00133 0.01663 0.01159 0.00825 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.06630 0.00001 -0.00011 1.32114 0.00027 0.00017 -0.11429 0.00020 0.00002 -0.11775 -0.07980 0.00035 -0.00055 -0.18922 0.00063 0.00046 -0.43847 -0.28883 0.00055 -0.00035 1.07204 -0.00054 -0.00123 0.00013 -0.00014 -0.00038 0.00080 0.37418 -0.00630 -0.00002 -0.00041 -0.04527 0.06889 0.05527 0.14764 -0.00003 -0.00003 -0.02032 -0.14926 -0.11556 -0.06925 -0.35760 0.00704 0.02405 -0.00399 -0.01950 0.01078 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00129 -0.00009 0.01325 -0.00067 0.00686 -0.00028 0.00621 0.00034 -0.00005 -0.03177 -0.02235 -0.00040 1.13445 0.47276 -0.00009 -0.00082 -0.00191 -0.00005 -0.00007 -0.00453 -0.01960 0.00009 -0.05472 -0.00195 0.00018 0.00033 0.19492 -0.06727 -0.00035 0.13366 0.06815 0.54804 -0.66290 -0.15756 0.20820 -0.00021 -0.00018 0.02447 0.07776 0.00004 0.00008 -0.00006 -0.00008 -0.00050 0.00637 -0.00009 0.00009 -0.00004 0.00008 0.00016 -0.00001 -0.00002 0.00001 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00009 0.00129 0.00067 0.01325 0.00028 0.00686 -0.00034 0.00621 -0.00001 0.02235 -0.03177 -0.00006 -0.47276 1.13445 0.00000 0.00191 -0.00081 0.00001 -0.00001 -0.01957 0.00453 -0.00009 0.00197 -0.05474 -0.00010 -0.00007 0.06728 0.19492 0.00010 -0.06814 0.13366 -0.66289 -0.54805 0.20823 0.15754 -0.00005 0.00004 0.07777 -0.02448 0.00001 0.00001 0.00000 0.00000 0.00637 0.00051 -0.00002 -0.00002 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00015 -0.00033 0.04162 0.59895 0.00496 -0.00125 -0.05651 0.07406 -0.07869 -0.02710 0.00644 0.01246 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00248 -0.00001 -0.00001 -0.01446 0.00000 0.00000 -0.08397 0.00004 0.00006 0.01867 0.02159 0.00004 -0.00005 -0.02844 0.00001 0.00001 -0.00029 0.03332 -0.00001 0.00002 0.03023 -0.00002 -0.00003 0.00000 0.00000 0.00002 -0.00003 -0.01951 -0.01590 0.00002 0.00002 -0.01364 0.03639 0.12828 -0.08962 0.00001 -0.00004 0.00940 -0.01659 -0.01933 -0.00850 0.00829 -0.42012 -0.97786 -1.38862 -0.19697 -0.05924 -0.00005 -0.00020 0.03022 0.43286 0.00362 -0.00177 -0.07131 0.09317 -0.09937 -0.03430 0.00834 0.01599 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00285 -0.00001 -0.00002 -0.01863 -0.00001 0.00000 -0.10764 0.00005 0.00007 0.02349 0.02844 0.00006 -0.00008 -0.04248 0.00001 0.00001 0.00111 0.04887 -0.00001 0.00002 0.04319 -0.00003 -0.00005 0.00001 0.00000 0.00003 -0.00003 -0.02337 -0.01729 0.00002 0.00002 -0.02007 0.06622 0.20775 -0.13977 0.00001 -0.00007 0.01456 -0.03016 -0.04279 -0.02958 0.00317 0.45479 1.07513 1.53337 0.21942 0.06603 -0.00073 -0.00033 0.00048 0.02029 -0.00029 0.00901 0.19562 -0.25078 0.28015 0.09646 -0.02547 -0.04584 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00055 0.00004 0.00005 0.04001 0.00002 0.00002 0.20464 -0.00015 -0.00015 -0.03739 -0.05324 -0.00039 0.00040 0.24847 0.00007 0.00003 -0.07054 -0.26405 0.00007 -0.00012 -0.20684 0.00014 0.00023 0.00000 -0.00001 -0.00002 0.00004 -0.01782 -0.06713 0.00004 -0.00006 0.11907 -0.75562 -1.90818 1.22832 -0.00006 0.00074 -0.14453 0.37186 0.77137 0.83195 -0.13405 -0.08157 -0.31026 -0.45191 -0.07756 -0.01278 0.00385 -0.00113 0.00444 -0.02613 0.00307 -0.03271 0.16815 -0.27076 0.18400 0.15027 -0.03222 -0.01303 -0.00002 0.00002 0.00000 0.00002 0.00002 0.00001 -0.00001 0.00000 0.12369 0.00007 0.00026 0.49977 0.00013 0.00006 3.37430 -0.00062 -0.00203 -0.50504 -1.25692 0.00168 -0.00028 -0.69341 -0.00112 -0.00050 0.60244 0.66382 -0.00013 0.00021 -0.09175 -0.00018 -0.00009 -0.00030 0.00033 -0.00161 0.00281 1.85703 -0.34892 -0.00137 -0.00390 1.87187 1.65460 5.62595 -3.62686 0.00031 -0.00208 -0.05398 -0.07571 -3.84080 -4.73466 0.90368 0.01488 0.54647 0.94608 0.30329 -0.05883 0.00003 -0.00034 0.00006 0.00012 -0.00014 0.00082 0.06107 -0.04769 -0.02607 -0.09148 0.12352 0.46887 0.00014 0.00012 -0.00002 -0.00002 0.00002 0.00002 0.00001 -0.00001 0.00789 0.00007 0.00009 -0.00480 0.00000 0.00001 -0.08921 -0.00022 0.00017 -0.13032 0.31851 -0.00073 0.00047 0.40576 0.00089 0.00043 -0.53637 -0.16564 0.00023 -0.00029 -0.38463 0.00018 0.00037 -0.00011 0.00012 -0.00055 0.00098 0.57735 -0.07468 -0.00047 -0.00119 0.58833 0.08172 0.30012 -0.01282 0.00015 -0.00010 -0.05237 0.26055 0.09178 -0.28679 0.01419 0.01419 0.00670 0.00439 0.01743 0.00193 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00002 -0.00015 0.51255 -0.03649 -0.09140 0.00465 0.11040 -0.00455 -0.10020 -0.00548 -0.00001 -0.00078 -0.00055 -0.00002 0.00089 0.00037 -0.00007 0.09478 0.22221 -0.00037 -0.00011 0.10476 0.45319 -0.00058 -0.76756 -0.02754 -0.00148 -0.00025 -0.31676 0.10935 0.00018 0.18630 0.09496 -0.01373 0.01661 -0.04678 0.06184 0.00005 0.00004 0.01792 0.05707 0.00007 0.00002 0.00012 -0.00008 -0.04118 0.52160 0.00011 -0.00010 -0.00006 -0.00008 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00002 -0.00013 0.03649 0.51253 -0.00465 -0.09143 0.00454 0.11043 0.00549 -0.10022 -0.00001 0.00054 -0.00077 0.00002 -0.00037 0.00089 0.00003 -0.22236 0.09487 0.00027 0.00001 0.45326 -0.10492 0.00077 0.02742 -0.76741 -0.00071 0.00024 -0.10935 -0.31687 0.00020 -0.09502 0.18633 0.01661 0.01374 0.06185 0.04682 -0.00009 0.00009 0.05700 -0.01799 -0.00007 -0.00003 -0.00005 0.00001 0.52148 0.04116 0.00007 -0.00015 -0.00002 0.00003 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00273 0.00078 0.00286 -0.00345 0.00218 -0.02104 -0.01110 -0.01070 -0.00847 0.02221 0.03671 0.13090 0.00004 0.00004 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00001 0.08887 0.00000 0.00005 0.06693 0.00000 -0.00001 0.87434 -0.00147 -0.00076 -1.74536 1.08076 0.00221 -0.00239 -1.25937 -0.00016 0.00006 0.12943 0.66325 -0.00026 0.00053 0.69167 -0.00021 -0.00070 0.00003 0.00022 0.00007 0.00036 -0.17097 -1.36141 0.00038 -0.00149 0.53601 -0.30823 0.13339 -0.20975 -0.00027 -0.00006 -0.10594 -0.28913 -1.90018 -1.69701 0.59112 -0.13758 0.07555 0.15149 0.07411 -0.05376 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00004 0.13431 -0.00956 -0.01395 0.00071 0.04302 -0.00177 -0.04681 -0.00256 0.00000 0.03479 0.02447 0.00003 -0.00012 -0.00005 -0.00007 0.25237 0.59170 -0.00102 -0.00052 0.52624 2.27383 -0.00335 1.41770 0.05079 0.00183 -0.00035 1.12977 -0.39007 -0.00112 -0.86643 -0.44154 0.20228 -0.24456 0.50640 -0.66909 0.00241 -0.00119 0.29369 0.93381 0.00070 -0.00080 0.00018 0.00048 0.11033 -1.39580 0.00002 0.00012 0.00014 -0.00034 -0.00027 -0.00003 0.00004 -0.00001 0.00002 0.00005 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00001 -0.00002 0.00000 -0.00005 0.00956 0.13430 -0.00071 -0.01396 0.00177 0.04302 0.00256 -0.04682 -0.00001 -0.02448 0.03475 0.00002 0.00005 -0.00013 -0.00020 -0.59194 0.25255 0.00090 0.00019 2.27274 -0.52554 0.00465 -0.05078 1.41812 0.00125 -0.00110 0.38980 1.12975 -0.00099 0.44183 -0.86617 -0.24459 -0.20213 -0.66905 -0.50613 0.00013 0.00070 0.93316 -0.29392 -0.00004 0.00028 0.00008 -0.00027 -1.39526 -0.11001 0.00007 0.00017 0.00055 0.00015 -0.00030 0.00003 0.00000 -0.00001 -0.00001 0.00007 -0.00035 -0.00006 0.58381 -0.03948 -0.13392 -0.00387 -0.08725 0.04980 0.03709 0.06168 -0.02045 -0.03840 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00454 0.00002 0.00001 -0.00543 0.00000 0.00000 0.01328 -0.00010 -0.00005 -0.07120 0.00751 -0.00006 0.00005 0.03654 0.00005 0.00003 -0.02963 0.01133 0.00001 0.00000 -0.02111 -0.00001 0.00001 -0.00001 0.00000 -0.00006 0.00005 0.05823 0.07764 -0.00006 -0.00001 -0.00100 0.00413 0.03253 0.06455 -0.00001 -0.00001 0.01032 -0.05199 -0.05525 0.09559 0.02314 -0.85997 -0.77220 0.65641 0.78661 0.84755 -0.00012 0.00011 0.42216 -0.02841 -0.09659 -0.00513 -0.10939 0.06206 0.04640 0.07681 -0.02576 -0.05005 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00688 0.00002 0.00002 -0.00666 0.00000 0.00000 0.01849 -0.00012 -0.00006 -0.09214 0.01117 -0.00007 0.00006 0.04543 0.00007 0.00005 -0.04568 0.02359 0.00001 0.00000 -0.02552 -0.00002 0.00001 -0.00002 -0.00001 -0.00009 0.00007 0.08453 0.11764 -0.00009 -0.00001 -0.00525 0.01409 0.05518 0.11006 -0.00002 -0.00002 0.01484 -0.08505 -0.08728 0.15787 0.00711 0.93139 0.84951 -0.72523 -0.87626 -0.94701 -0.00140 -0.00158 0.01955 -0.00203 -0.00637 0.01961 0.30401 -0.16838 -0.12293 -0.19417 0.06639 0.16393 0.00004 0.00001 -0.00002 -0.00001 0.00002 0.00001 -0.00004 -0.00002 -0.04517 -0.00005 -0.00003 0.01108 0.00001 0.00000 -0.05490 0.00024 0.00008 0.20400 -0.06290 0.00008 0.00000 -0.02658 -0.00048 -0.00036 0.31143 -0.33890 0.00002 -0.00008 -0.01891 0.00025 0.00012 0.00006 0.00005 0.00048 -0.00032 -0.46887 -0.77770 0.00059 -0.00013 0.09901 -0.38141 -0.52323 -1.33560 0.00024 0.00015 -0.07774 0.82271 0.70545 -1.63857 -0.28626 -0.16328 -0.26383 0.21878 0.30443 0.33821 0.00723 0.01025 -0.02668 0.00748 0.02018 -0.01632 0.13719 0.02516 -0.05003 -0.17462 0.13907 0.07819 0.00007 0.00001 0.00005 -0.00001 0.00004 -0.00001 -0.00002 0.00001 0.29123 -0.00031 -0.00027 0.43033 0.00010 0.00004 0.38289 0.00427 0.00283 3.04766 0.58766 0.00260 -0.00311 -1.99854 0.00437 0.00334 -2.83858 2.18466 -0.00027 0.00076 1.14860 -0.00083 -0.00122 0.00048 0.00007 0.00124 -0.00109 -1.28062 -1.79558 0.00187 0.00199 -0.52015 4.68923 -0.08835 7.51509 -0.00070 0.00015 -2.77672 -3.10069 -2.96575 6.65119 2.11530 -0.00474 0.54731 -0.56953 -0.90291 -1.00273 -0.00014 -0.00021 0.00069 0.00055 -0.00092 0.00921 0.06993 0.08598 -0.27476 -0.11928 -0.08046 -0.42139 -0.00019 -0.00002 0.00000 0.00001 0.00002 -0.00002 -0.00007 0.00003 -0.01765 -0.00012 -0.00001 0.03205 0.00001 0.00001 0.10045 -0.00005 0.00004 -0.14168 0.24358 0.00008 -0.00013 -0.09126 -0.00003 -0.00020 0.09126 -0.43746 0.00006 -0.00017 -0.25555 0.00044 0.00038 -0.00002 0.00003 -0.00010 0.00021 0.10478 0.13327 -0.00020 -0.00023 0.24180 0.99285 0.12292 0.56446 0.00006 0.00005 -0.42360 0.31446 0.35896 -0.45740 0.02376 0.02377 -0.01675 -0.03153 0.03347 0.04830 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00004 0.00000 -0.00007 -0.00004 -0.00002 -0.00013 0.20736 -0.01476 0.09930 -0.00505 -0.23162 0.00953 0.39684 0.02172 0.00022 0.39173 0.27565 -0.00002 0.00584 0.00243 0.00008 0.09347 0.21920 -0.00016 0.00002 -0.07732 -0.33444 0.00057 -0.24369 -0.00864 0.00009 -0.00002 0.17977 -0.06201 -0.00047 -0.51229 -0.26118 0.11650 -0.14090 0.32893 -0.43474 0.00145 -0.00064 0.10866 0.34517 0.00034 0.00024 0.00006 0.00026 0.00483 -0.06068 -0.00015 0.00005 0.00008 -0.00013 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00001 0.00001 0.01476 0.20740 0.00505 0.09927 -0.00954 -0.23160 -0.02171 0.39684 0.00020 -0.27564 0.39174 0.00007 -0.00243 0.00584 -0.00006 -0.21910 0.09351 0.00017 -0.00009 -0.33438 0.07739 -0.00071 0.00882 -0.24378 -0.00012 0.00001 0.06207 0.17972 -0.00032 0.26120 -0.51230 -0.14093 -0.11650 -0.43475 -0.32899 0.00009 -0.00003 0.34514 -0.10860 0.00006 0.00000 0.00000 0.00003 -0.06063 -0.00475 -0.00001 -0.00001 -0.00003 0.00002 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00879 0.00097 -0.00092 -0.00941 0.01614 -0.06702 -0.03031 -0.03535 0.00081 0.15070 0.02273 0.12132 0.00005 0.00004 0.00004 0.00004 0.00005 -0.00002 -0.00002 0.00002 0.26907 -0.00015 0.00010 0.38076 0.00005 0.00000 2.48083 0.00043 -0.00039 -0.42382 0.29513 0.00410 -0.00407 -2.74480 0.00171 0.00159 -1.21046 2.99243 -0.00053 0.00086 0.97144 -0.00117 -0.00113 -0.00009 0.00092 -0.00152 0.00463 1.89753 -3.91650 -0.00085 -0.00729 3.79400 0.45604 2.04614 0.99988 0.00007 -0.00062 -2.01401 -0.11750 -6.88275 -2.16962 2.47859 -0.29854 0.36023 0.39554 -0.02673 -0.68467 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00004 0.00002 0.00000 0.00000 -0.00001 0.02665 -0.00190 -0.00202 0.00010 -0.07634 0.00315 0.16133 0.00882 0.00023 0.30423 0.21404 0.00002 0.04358 0.01816 0.00058 0.14240 0.33363 -0.00008 -0.00020 -0.33168 -1.43298 0.00196 -0.31716 -0.01144 -0.00056 0.00131 -0.75390 0.26025 0.00145 1.16790 0.59529 -0.37683 0.45570 -0.87586 1.15744 -0.00597 0.00202 -0.79571 -2.52853 -0.00180 0.00157 -0.00093 -0.00036 -0.01265 0.15644 -0.00084 -0.00013 -0.00092 0.00096 0.00101 -0.00001 -0.00001 0.00004 -0.00011 -0.00020 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00189 0.02668 -0.00010 -0.00202 -0.00314 -0.07633 -0.00884 0.16132 0.00012 -0.21408 0.30421 0.00011 -0.01816 0.04358 -0.00006 -0.33341 0.14216 0.00050 -0.00007 -1.43291 0.33130 -0.00285 0.01129 -0.31737 -0.00013 0.00039 -0.26014 -0.75379 0.00093 -0.59553 1.16774 0.45579 0.37674 1.15752 0.87580 -0.00054 -0.00084 -2.52804 0.79581 -0.00107 -0.00021 -0.00023 0.00026 0.15598 0.01202 -0.00004 0.00017 0.00041 0.00058 0.00011 0.00005 -0.00003 -0.00007 -0.00001 -0.00003 -0.00005 0.00978 0.13291 -0.01406 0.58512 -0.00908 -0.09006 -0.01416 0.08103 -0.02900 0.02097 0.02330 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.01253 -0.00003 -0.00001 -0.01131 0.00000 0.00000 -0.01728 0.00008 0.00007 0.02670 -0.01064 0.00014 -0.00019 -0.09544 -0.00002 -0.00002 0.01423 -0.00991 0.00002 -0.00001 -0.00625 0.00002 0.00001 0.00000 0.00001 -0.00003 0.00007 0.04906 0.00017 -0.00003 -0.00007 -0.00237 0.03232 -0.00697 0.03519 -0.00001 -0.00001 0.10022 -0.00178 0.10310 -0.06358 -0.00378 -0.80703 -0.43041 0.68010 -0.56774 -1.21808 0.00008 0.00724 0.09630 -0.01010 0.42280 -0.01163 -0.11300 -0.01776 0.10105 -0.03693 0.02678 0.02871 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.01640 -0.00004 -0.00001 -0.01466 0.00000 0.00000 -0.02473 0.00011 0.00010 0.03717 -0.01091 0.00019 -0.00026 -0.12831 -0.00003 -0.00003 0.02004 -0.01123 0.00003 -0.00001 -0.00448 0.00002 0.00000 -0.00001 0.00001 -0.00005 0.00009 0.07206 0.01233 -0.00005 -0.00008 -0.01355 0.04274 -0.00686 0.05671 -0.00002 -0.00002 0.16339 -0.00289 0.17212 -0.10412 -0.00163 0.87436 0.47342 -0.75153 0.63260 1.36138 -0.00102 -0.00068 0.00310 -0.00113 0.02203 0.03705 0.31460 0.04880 -0.26830 0.11067 -0.08145 -0.06245 -0.00003 -0.00001 0.00002 0.00001 0.00001 -0.00002 0.00002 0.00001 0.04988 0.00013 0.00006 0.04134 0.00001 0.00001 0.12481 -0.00041 -0.00038 -0.14527 -0.04145 -0.00061 0.00075 0.39239 0.00007 0.00006 -0.06112 -0.04623 -0.00014 0.00001 -0.12288 0.00006 0.00021 0.00006 0.00001 0.00031 -0.00022 -0.41759 -0.46013 0.00035 0.00004 0.40241 -0.03065 -0.07678 -0.50755 0.00019 0.00015 -1.73945 0.15096 -1.86704 0.99142 0.10599 -0.18044 -0.13414 0.24501 -0.23604 -0.50484 0.00148 0.00633 -0.00129 0.00317 -0.04412 0.01549 0.11597 0.01124 -0.06223 0.07546 0.00389 -0.07328 -0.00006 -0.00002 -0.00009 -0.00003 -0.00006 0.00001 -0.00007 0.00000 0.01543 0.00021 -0.00007 0.40344 0.00013 0.00015 -0.49227 -0.00077 -0.00057 0.14196 1.86577 -0.00535 0.00836 3.91683 -0.00078 -0.00093 0.87689 -1.35401 0.00071 -0.00019 1.76737 -0.00113 -0.00212 0.00011 -0.00113 0.00229 -0.00711 -2.15697 4.89225 0.00000 0.00785 -3.49369 -4.25546 1.18302 0.12717 -0.00106 -0.00055 7.89934 -2.37145 9.40913 -3.72955 -2.73842 0.34575 0.29567 -0.61732 0.51700 1.67195 -0.00015 -0.00037 0.00101 0.00020 -0.00055 0.01474 -0.05119 0.15800 0.12439 0.42643 -0.05013 0.21733 0.00004 0.00003 -0.00008 0.00000 0.00016 -0.00001 -0.00014 -0.00002 0.06141 0.00017 0.00001 -0.00230 0.00000 0.00001 -0.12369 -0.00018 -0.00013 -0.01188 -0.16978 -0.00015 0.00043 0.15975 -0.00025 -0.00014 0.21721 0.36213 -0.00040 0.00031 0.37394 -0.00024 -0.00031 0.00007 -0.00005 0.00039 -0.00061 -0.34787 -0.04203 0.00001 0.00023 0.43086 0.35138 0.18908 0.62581 0.00007 0.00019 -0.75167 0.31255 0.42318 -0.66607 -0.07502 -0.01040 -0.05525 0.01716 0.04518 0.04130 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00004 0.00004 0.00014 -0.00002 0.00008 0.10413 -0.00742 0.22433 -0.01140 -0.35514 0.01462 0.30549 0.01672 -0.00006 -0.24608 -0.17315 -0.00004 -0.04215 -0.01756 -0.00023 -0.20119 -0.47165 0.00051 0.00023 0.06419 0.27765 -0.00072 -0.28525 -0.01023 -0.00060 0.00010 0.39979 -0.13798 -0.00018 -0.14717 -0.07506 -0.03016 0.03645 -0.17732 0.23432 -0.00166 0.00066 -0.21343 -0.67813 -0.00044 0.00028 -0.00009 0.00008 0.00094 -0.01251 -0.00033 0.00013 0.00017 -0.00014 0.00002 0.00000 -0.00003 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00741 0.10417 0.01141 0.22431 -0.01462 -0.35514 -0.01672 0.30550 -0.00008 0.17315 -0.24607 -0.00011 0.01756 -0.04215 -0.00004 0.47157 -0.20118 -0.00041 -0.00003 0.27782 -0.06431 0.00072 0.01020 -0.28527 -0.00041 -0.00009 0.13798 0.39973 -0.00016 0.07502 -0.14719 0.03649 0.03015 0.23438 0.17733 -0.00012 -0.00038 -0.67812 0.21344 -0.00015 0.00001 -0.00001 0.00000 -0.01256 -0.00104 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00856 0.01427 -0.01481 -0.00108 0.00463 -0.02895 0.02231 0.07768 0.03619 -0.03732 0.10827 -0.02740 0.00003 0.00001 0.00001 -0.00001 0.00002 -0.00001 -0.00002 0.00003 0.41036 -0.00007 -0.00003 0.78448 0.00022 0.00014 2.01028 0.00257 0.00181 1.44335 2.02752 0.00165 -0.00167 -1.27048 0.00509 0.00374 -3.24081 1.70153 0.00033 0.00057 1.77290 -0.00107 -0.00199 0.00052 0.00003 0.00224 -0.00291 -2.39079 -2.22317 0.00283 0.00252 -1.47186 3.57218 0.85430 4.85946 -0.00096 -0.00086 0.03889 -4.51458 -1.38859 1.67650 1.41029 -0.10938 0.67164 -0.28811 -0.51532 -0.20552 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00004 -0.00002 -0.00004 -0.00003 0.00006 0.00004 0.00004 0.01945 -0.00138 0.08458 -0.00430 -0.06335 0.00260 0.06883 0.00378 0.00005 -0.18436 -0.12970 0.00039 -0.04123 -0.01718 0.00068 -0.29652 -0.69496 0.00112 0.00120 0.26758 1.15597 -0.00314 0.63860 0.02287 -0.00051 -0.00004 -0.04098 0.01408 0.00062 -0.19265 -0.09808 0.23473 -0.28384 0.33679 -0.44495 0.00600 -0.00417 1.16631 3.70596 0.00350 -0.00088 0.00244 0.00300 -0.01117 0.14608 0.00051 -0.00109 -0.00189 -0.00108 -0.00008 -0.00012 0.00037 -0.00007 -0.00004 -0.00014 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00139 0.01944 0.00430 0.08458 -0.00261 -0.06335 -0.00376 0.06884 -0.00004 0.12973 -0.18434 -0.00017 0.01718 -0.04123 -0.00014 0.69476 -0.29634 -0.00081 -0.00011 1.15603 -0.26726 0.00238 -0.02289 0.63884 0.00043 -0.00018 -0.01419 -0.04092 -0.00015 0.09830 -0.19253 -0.28393 -0.23467 -0.44519 -0.33675 0.00034 0.00218 3.70565 -1.16645 0.00147 0.00021 -0.00001 -0.00030 0.14649 0.01192 0.00006 -0.00031 -0.00010 -0.00035 -0.00040 -0.00006 0.00000 0.00005 -0.00003 0.00005 0.03162 0.59937 -0.00206 0.00057 -0.00961 -0.02666 -0.06566 -0.09097 -0.03076 -0.04124 -0.02851 -0.00731 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.03860 0.00001 -0.00002 -0.02170 0.00000 0.00000 0.01037 -0.00007 -0.00005 -0.02479 -0.01399 -0.00005 0.00008 0.03734 0.00006 0.00005 -0.04230 0.05021 -0.00001 0.00002 0.04972 -0.00005 -0.00006 0.00000 -0.00002 0.00002 -0.00007 -0.02697 0.05130 0.00001 0.00011 -0.01395 0.02925 -0.01910 -0.02014 0.00003 0.00003 0.00939 0.14908 -0.02333 0.00470 0.04352 -0.86024 0.65391 -0.07580 -1.12131 0.82020 0.02307 0.43320 -0.00130 0.00044 -0.00680 -0.03424 -0.08232 -0.11375 -0.03828 -0.05226 -0.03512 -0.00972 -0.00001 0.00000 -0.00002 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.05097 0.00001 -0.00002 -0.02955 0.00000 0.00000 0.01301 -0.00009 -0.00007 -0.03332 -0.01665 -0.00007 0.00011 0.04870 0.00008 0.00007 -0.05393 0.07431 -0.00002 0.00003 0.06729 -0.00008 -0.00009 0.00000 -0.00002 0.00001 -0.00009 -0.02621 0.08222 0.00000 0.00016 -0.02657 0.03864 -0.03020 -0.03652 0.00004 0.00004 0.01792 0.24481 -0.03977 0.00842 0.01414 0.93265 -0.71990 0.08393 1.25013 -0.91708 -0.00057 0.02160 -0.00182 -0.00027 -0.00121 0.11058 0.22832 0.31075 0.10209 0.15186 0.07892 0.03664 0.00003 0.00000 0.00005 -0.00003 -0.00003 0.00002 -0.00004 0.00003 -0.16564 -0.00004 0.00006 0.12437 0.00000 0.00001 -0.02760 0.00024 0.00021 0.10495 -0.00662 0.00010 -0.00023 -0.06743 -0.00011 -0.00012 0.09686 -0.42518 0.00010 -0.00016 -0.19996 0.00034 0.00033 0.00006 0.00009 0.00036 -0.00004 -0.27366 -0.69410 0.00024 -0.00079 0.35528 -0.01378 0.21987 0.46470 -0.00044 -0.00047 -0.07649 -2.52128 0.44834 -0.07823 -0.60827 -0.19019 0.21630 -0.02747 -0.46134 0.33232 0.00870 -0.03906 0.00856 -0.00117 0.00906 -0.05831 0.10793 0.07091 -0.01263 0.09119 0.11359 0.03856 0.00000 0.00000 0.00008 0.00005 0.00003 0.00004 -0.00005 -0.00001 -0.27393 -0.00003 0.00031 0.22031 -0.00018 -0.00017 -0.01409 0.00146 -0.00005 0.52765 1.41079 0.00137 0.00020 -0.76241 -0.00653 -0.00460 4.19682 1.68188 -0.00188 0.00104 -2.69671 0.00154 0.00285 -0.00095 0.00096 -0.00497 0.00860 5.77650 0.02407 -0.00330 -0.00843 -1.31546 -3.69420 1.08495 -1.85963 0.00179 0.00187 -0.92614 10.72751 -4.65620 -0.45374 5.86620 0.27618 -0.47244 0.21006 1.33866 -1.19980 -0.00090 0.00058 0.00030 0.00005 0.00033 0.04882 -0.03678 0.09477 0.22892 -0.39438 0.19249 -0.13605 -0.00003 -0.00002 -0.00002 -0.00003 0.00000 0.00003 0.00004 0.00005 -0.17466 0.00008 0.00016 0.04569 -0.00003 -0.00001 0.01673 -0.00028 -0.00031 -0.16782 -0.10184 -0.00027 0.00042 0.22741 0.00027 0.00027 -0.18811 0.34195 -0.00013 0.00010 -0.11275 -0.00008 0.00003 0.00001 -0.00003 0.00002 -0.00010 -0.05827 -0.02266 0.00032 0.00037 -0.77839 -0.41915 0.38294 0.34181 0.00005 0.00023 -0.91599 -0.00530 0.46004 -0.34950 0.08773 0.00971 -0.05386 0.03678 -0.05206 0.01920 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00005 -0.00006 -0.00001 -0.00003 0.00002 -0.00001 0.04460 -0.00318 0.35406 -0.01800 -0.24190 0.00996 -0.30136 -0.01649 -0.00025 -0.27962 -0.19676 0.00002 -0.04977 -0.02074 0.00027 0.21271 0.49863 -0.00062 -0.00019 -0.05787 -0.25025 0.00115 -0.07968 -0.00281 0.00048 0.00060 0.40356 -0.13928 0.00018 0.00769 0.00391 -0.07958 0.09624 -0.33101 0.43747 -0.00043 -0.00035 0.17411 0.55320 0.00041 0.00022 0.00002 0.00017 -0.00148 0.01899 0.00007 -0.00011 0.00008 -0.00001 -0.00016 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00003 0.00002 -0.00002 0.00004 -0.00001 0.00317 0.04462 0.01800 0.35405 -0.00996 -0.24191 0.01649 -0.30135 -0.00022 0.19676 -0.27963 0.00007 0.02074 -0.04978 0.00012 -0.49857 0.21269 0.00046 0.00005 -0.25035 0.05793 -0.00069 0.00290 -0.07977 -0.00009 -0.00009 0.13931 0.40357 0.00000 -0.00391 0.00765 0.09626 0.07956 0.43743 0.33100 0.00002 0.00065 0.55323 -0.17413 0.00011 -0.00016 0.00006 0.00000 0.01901 0.00152 -0.00007 0.00000 0.00003 -0.00005 0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.01644 0.00028 -0.00867 -0.00366 -0.01011 -0.10417 -0.04723 -0.05180 0.03320 0.14319 0.13736 0.10836 0.00005 0.00003 -0.00005 0.00002 0.00002 0.00001 -0.00004 0.00001 0.24074 0.00002 0.00017 1.08553 0.00023 0.00014 2.18215 0.00254 0.00069 1.53419 3.69553 0.00000 0.00331 0.23547 0.00015 -0.00012 0.28968 1.74782 -0.00023 0.00090 2.73989 -0.00153 -0.00289 0.00003 0.00003 0.00063 -0.00182 -0.25601 0.53860 -0.00075 0.00045 0.29928 -3.18635 3.73648 3.91121 -0.00072 -0.00034 3.75288 -0.31524 -1.01224 -2.86057 1.74137 -0.01107 0.69902 -0.31362 0.43378 0.04267 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00002 0.00006 0.00006 -0.00002 0.00001 0.00000 0.00568 -0.00040 0.02471 -0.00126 -0.10153 0.00418 -0.06538 -0.00358 -0.00016 -0.28966 -0.20384 -0.00003 0.05475 0.02281 0.00044 0.34221 0.80210 -0.00091 -0.00030 -0.17209 -0.74347 0.00237 -0.18652 -0.00669 -0.00048 0.00036 -0.54553 0.18832 0.00078 0.30085 0.15334 -0.03272 0.03961 0.85894 -1.13527 -0.00268 0.00267 -1.02507 -3.25713 -0.00275 0.00083 -0.00123 -0.00100 0.01382 -0.17838 0.00021 -0.00111 0.00150 0.00040 0.00060 0.00006 -0.00001 -0.00004 -0.00011 0.00021 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00040 0.00569 0.00126 0.02471 -0.00418 -0.10153 0.00357 -0.06538 -0.00014 0.20381 -0.28968 0.00016 -0.02282 0.05475 0.00038 -0.80197 0.34208 0.00102 0.00049 -0.74368 0.17193 -0.00171 0.00668 -0.18660 0.00025 0.00043 -0.18827 -0.54555 0.00008 -0.15345 0.30087 0.03960 0.03276 -1.13505 -0.85893 0.00044 -0.00295 -3.25705 1.02523 -0.00156 -0.00008 0.00022 0.00045 -0.17865 -0.01436 -0.00005 0.00061 -0.00035 0.00019 0.00108 0.00006 0.00003 -0.00004 0.00009 -0.00012 0.59951 -0.03197 0.00049 0.00010 0.00049 -0.05736 -0.02859 -0.06431 -0.05641 0.06161 0.03601 -0.00002 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.07758 0.00001 0.00005 0.00284 0.00000 0.00000 0.01521 0.00006 0.00004 0.02086 0.03375 0.00006 -0.00008 -0.04313 0.00002 0.00001 -0.01354 0.01833 0.00001 0.00000 -0.00613 0.00000 -0.00001 -0.00001 0.00000 -0.00004 0.00002 0.03209 0.06116 -0.00004 0.00004 0.00260 -0.01776 -0.03382 -0.06161 0.00000 0.00001 -0.10462 -0.05880 0.06092 -0.00131 -0.01222 -0.88797 0.96757 -0.52436 0.93416 -0.48111 0.43341 -0.02287 0.00051 0.00012 0.00044 -0.07143 -0.03611 -0.08046 -0.07025 0.07662 0.04633 -0.00067 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.10081 0.00002 0.00006 0.00174 0.00000 0.00000 0.01626 0.00008 0.00005 0.02597 0.04108 0.00009 -0.00012 -0.06278 0.00003 0.00002 -0.02205 0.02422 0.00001 0.00000 -0.01041 0.00000 -0.00001 -0.00001 -0.00001 -0.00007 0.00003 0.04917 0.09732 -0.00006 0.00006 0.00584 -0.02173 -0.06030 -0.10422 0.00000 0.00001 -0.16699 -0.09369 0.09875 0.00020 -0.00476 0.96329 -1.06599 0.58008 -1.04189 0.53834 0.01998 -0.00285 -0.00157 -0.00050 -0.00081 0.18743 0.10368 0.21672 0.18303 -0.19039 -0.13710 0.01487 0.00001 0.00000 0.00002 0.00003 0.00000 0.00000 0.00003 -0.00004 0.28070 -0.00003 -0.00014 0.06360 0.00000 0.00000 0.05591 -0.00025 -0.00027 -0.03333 -0.01789 -0.00046 0.00084 0.34275 -0.00024 -0.00018 0.19007 -0.06766 -0.00012 0.00002 0.08230 0.00001 0.00003 0.00006 0.00008 0.00046 -0.00004 -0.30458 -0.83386 0.00048 -0.00065 -0.17375 -0.07545 0.78722 1.17479 -0.00005 -0.00010 1.48159 0.79142 -0.98892 -0.12477 0.17109 -0.17803 0.32470 -0.18276 0.35600 -0.19438 -0.02895 0.01296 0.00715 0.00401 0.00481 0.22813 0.08042 0.17775 0.10348 -0.27741 -0.34467 -0.07689 -0.00004 -0.00002 0.00005 -0.00002 -0.00006 0.00000 0.00003 -0.00006 0.85800 -0.00041 -0.00104 -0.98488 -0.00016 -0.00008 -2.06238 -0.00243 -0.00009 -1.51964 -3.55936 -0.00023 -0.00345 -0.11808 0.00168 0.00142 -1.45747 -1.74937 0.00068 -0.00077 -1.75285 0.00091 0.00185 0.00024 -0.00066 0.00109 -0.00233 -1.61702 1.06202 0.00078 0.00304 1.27007 4.12048 -4.87344 -4.79074 0.00010 -0.00038 -3.70860 -4.05280 3.78811 2.59942 -2.59385 0.10101 -0.74640 0.35003 -1.00019 0.54305 0.00004 0.00067 0.00012 -0.00012 0.00004 0.07623 -0.11048 -0.18907 -0.12206 0.04338 -0.41564 0.12236 0.00003 0.00001 0.00015 -0.00003 0.00000 0.00000 -0.00020 0.00002 0.43286 -0.00001 -0.00028 -0.08770 -0.00001 -0.00002 -0.03919 0.00023 0.00037 0.05083 -0.06227 0.00038 -0.00087 -0.31182 0.00005 -0.00002 -0.04866 -0.41554 0.00036 -0.00037 -0.14732 0.00038 0.00015 0.00006 -0.00003 -0.00004 0.00027 0.13552 -0.00326 0.00000 -0.00020 -0.30826 -0.89221 0.58663 0.34427 -0.00001 0.00015 -0.49501 -0.03316 0.05809 -0.34553 -0.03422 -0.02528 0.00830 0.01384 -0.04172 0.02893 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00004 0.00003 0.00005 0.00004 -0.00003 0.00017 -0.00006 0.02264 -0.00161 0.36903 -0.01876 -0.00851 0.00035 -0.38932 -0.02130 0.00016 0.39488 0.27786 0.00004 -0.05505 -0.02294 -0.00017 -0.11198 -0.26249 0.00026 0.00006 0.01129 0.04879 -0.00023 -0.09288 -0.00333 -0.00023 0.00036 0.37268 -0.12864 0.00056 0.59696 0.30437 0.16239 -0.19639 0.29311 -0.38736 0.00069 0.00002 -0.04016 -0.12760 0.00004 0.00016 -0.00017 -0.00014 0.00021 -0.00263 0.00015 0.00006 -0.00007 0.00013 0.00009 0.00001 0.00000 0.00000 0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00001 -0.00003 -0.00002 0.00003 -0.00002 0.00001 0.00161 0.02266 0.01876 0.36904 -0.00035 -0.00853 0.02130 -0.38932 0.00019 -0.27786 0.39488 0.00000 0.02294 -0.05505 -0.00009 0.26248 -0.11197 -0.00023 -0.00005 0.04889 -0.01131 0.00012 0.00333 -0.09292 -0.00018 -0.00022 0.12864 0.37270 0.00041 -0.30435 0.59696 -0.19642 -0.16236 -0.38735 -0.29309 0.00016 -0.00033 -0.12763 0.04017 -0.00014 -0.00010 0.00010 0.00007 -0.00263 -0.00021 -0.00011 0.00000 0.00000 -0.00007 0.00006 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00697 -0.01067 -0.00233 -0.00124 0.00312 -0.06295 0.04113 0.04303 0.03094 -0.10296 0.05889 -0.02828 0.00000 0.00000 0.00005 0.00004 0.00004 0.00001 -0.00001 -0.00001 0.49927 0.00007 -0.00010 0.43753 -0.00001 -0.00004 1.04688 0.00144 0.00009 1.00597 2.34695 0.00036 0.00220 -0.09418 -0.00272 -0.00176 1.88957 3.12629 -0.00230 0.00211 -1.66302 0.00042 0.00183 -0.00034 0.00060 -0.00193 0.00357 2.52331 -1.43237 -0.00056 -0.00450 -2.01724 0.21928 0.44809 0.70483 0.00037 0.00029 -0.06310 2.68501 -1.96222 0.29765 5.84193 0.16618 0.08158 -0.04223 0.45076 -0.57144 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00003 -0.00005 0.00001 -0.00002 -0.00002 0.00464 -0.00033 0.12567 -0.00639 0.03975 -0.00164 -0.15745 -0.00861 0.00005 0.39763 0.27981 -0.00018 -0.11313 -0.04714 -0.00086 -0.27842 -0.65260 0.00040 -0.00079 0.12215 0.52784 -0.00195 0.23311 0.00833 -0.00071 -0.00212 -0.42911 0.14809 -0.00101 -1.06925 -0.54515 -0.05613 0.06782 -0.91495 1.20920 -0.00089 -0.00099 0.51255 1.62862 0.00168 0.00031 0.00003 0.00014 -0.00744 0.09579 -0.00040 -0.00051 -0.00006 0.00017 -0.00259 -0.00009 -0.00006 0.00004 -0.00016 0.00007 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00002 0.00002 0.00001 0.00033 0.00464 0.00639 0.12567 0.00163 0.03974 0.00862 -0.15745 0.00018 -0.27979 0.39765 0.00009 0.04715 -0.11313 0.00001 0.65250 -0.27834 -0.00056 0.00027 0.52795 -0.12209 0.00132 -0.00838 0.23324 0.00038 0.00051 -0.14814 -0.42914 -0.00056 0.54515 -1.06925 0.06788 0.05606 1.20911 0.91491 -0.00023 0.00176 1.62862 -0.51264 0.00074 -0.00043 0.00033 0.00018 0.09591 0.00769 0.00041 0.00016 -0.00017 -0.00036 -0.00012 -0.00003 0.00005 -0.00001 0.00006 0.00000 -0.00029 -0.00011 -0.00031 -0.00026 -0.00017 0.00226 0.04682 -0.06650 0.08547 0.04440 -0.03118 -0.10298 -0.17476 -0.17117 0.03601 0.03674 -0.04935 -0.05134 0.05307 0.06700 -0.00291 0.01053 0.09417 -0.00464 0.00159 0.00466 -0.02921 -0.05152 0.10849 -0.03698 0.05630 0.07746 0.04203 -0.00687 0.03851 0.04679 -0.01423 -0.01496 0.02948 0.01664 0.01765 -0.00409 -0.01586 0.00043 0.00266 -0.00065 -0.00346 -0.04472 -0.16026 -0.05515 -0.02476 0.12541 -0.03696 0.29401 -0.11888 0.84755 0.87854 -0.00684 0.18912 0.55451 0.60019 -0.06732 0.02113 0.00561 0.00823 -0.00511 0.00375 0.00141 0.00073 0.00033 0.00325 0.00203 -0.00868 -0.01236 0.00020 0.02704 0.03878 -0.00789 -0.03777 -0.10839 -0.10619 0.03202 0.03267 -0.04348 -0.04524 0.06025 0.07607 0.03052 0.02718 0.24325 -0.10822 0.00517 0.01521 -0.60498 -0.38434 0.81005 -0.42760 0.90512 1.75764 0.95296 -0.54615 0.18673 0.22668 -0.51867 0.55301 0.35555 0.20081 0.36064 -0.06068 -0.23392 -0.01472 -0.09434 -0.04804 -0.23959 -0.13936 -0.94602 0.29985 0.13306 0.28636 -0.50537 -1.19473 0.94517 -1.50820 -1.56315 -0.25350 -0.18610 -0.99823 -0.24060 0.35803 -0.10485 -0.05190 -0.10332 -0.03355 -0.08449 -0.00029 -0.00011 -0.00031 -0.00026 -0.00017 0.00226 0.04682 -0.06650 0.08547 0.04440 -0.03119 -0.10306 -0.06093 0.23687 0.01382 -0.04956 -0.01979 0.06841 0.03149 -0.07947 -0.00299 0.07630 -0.05622 -0.00467 0.00324 -0.00371 -0.02921 0.11967 -0.00966 -0.03711 0.05630 -0.07513 0.04606 -0.00705 0.02127 -0.05673 -0.01440 -0.01493 -0.00032 -0.03387 0.01769 -0.01170 0.01148 -0.00248 -0.00095 0.00343 0.00112 -0.04472 -0.16022 0.04892 -0.03553 0.12543 -0.03699 0.29396 -0.11896 -1.18447 0.29477 -0.00708 0.18960 0.55459 0.60022 -0.06731 0.02113 0.00560 0.00823 -0.00511 0.00375 0.00141 0.00073 0.00033 0.00325 0.00203 -0.00868 -0.01237 0.00021 0.02703 0.03879 -0.00789 -0.03780 -0.03778 0.14696 0.01229 -0.04406 -0.01743 0.06028 0.03576 -0.09023 0.03036 0.19712 -0.14529 -0.10836 0.01055 -0.01216 -0.60492 0.89316 -0.07171 -0.42872 0.90479 -1.70352 1.04384 -0.55141 0.10358 -0.27379 -0.51893 0.55376 -0.00392 -0.40817 0.36128 -0.17245 0.16873 0.08934 0.03455 0.23200 0.07832 -0.13962 -0.94625 -0.26527 0.19212 0.28636 -0.50540 -1.19475 0.94544 2.10783 -0.52432 -0.25320 -0.18684 -0.99851 -0.24059 0.35819 -0.10486 -0.05191 -0.10333 -0.03355 -0.08453 -0.00029 -0.00011 -0.00031 -0.00026 -0.00017 0.00226 0.04682 -0.06651 0.08548 0.04441 -0.03121 -0.10316 0.23556 -0.06573 -0.04981 0.01282 0.06912 -0.01707 -0.08456 0.01246 -0.00300 -0.08682 -0.03796 -0.00465 -0.00484 -0.00095 -0.02923 -0.06823 -0.09878 -0.03682 0.05643 -0.00232 -0.08814 -0.00679 -0.05972 0.00998 -0.01447 -0.01498 -0.02916 0.01723 0.01770 0.01582 0.00436 0.00208 -0.00166 -0.00266 0.00237 -0.04463 -0.16029 0.00634 0.05980 0.12545 -0.03722 0.29378 -0.11867 0.33710 -1.17321 -0.00720 0.18964 0.55468 0.60025 -0.06730 0.02114 0.00561 0.00824 -0.00511 0.00375 0.00140 0.00073 0.00033 0.00325 0.00203 -0.00868 -0.01236 0.00021 0.02704 0.03878 -0.00791 -0.03785 0.14611 -0.04077 -0.04428 0.01140 0.06090 -0.01504 -0.09599 0.01415 0.03034 -0.22437 -0.09813 -0.10827 -0.01586 -0.00313 -0.60498 -0.50907 -0.73673 -0.42628 0.90628 -0.05236 -2.00027 -0.54374 -0.28759 0.04880 -0.51876 0.55379 -0.35179 0.20785 0.36148 0.23246 0.06411 -0.07447 0.06026 -0.18362 0.16206 -0.14047 -0.94570 -0.03376 -0.32747 0.28612 -0.50465 -1.19457 0.94477 -0.59996 2.08837 -0.25301 -0.18690 -0.99867 -0.24061 0.35824 -0.10485 -0.05194 -0.10333 -0.03356 -0.08452 1 Br 1S 2S 3PX 3PY 3PZ 4PX 4PY 4PZ 5PX 5PY 5PZ 2 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 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 H 1S 2S 8 H 1S 2S 9 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 1 Br 1S|2S|3PX|3PY|3PZ|4PX|4PY|4PZ|5PX|5PY|5PZ|2 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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 H 1S|2S|8 H 1S|2S|9 H 1S|2S 1.21689 0.81097 0.85770 1.38895 1.38895 0.14430 0.52282 0.52282 0.01319 0.01430 0.01430 1.17413 0.81440 0.72794 0.70362 0.85829 0.95374 0.95371 0.14386 0.21419 0.21418 1.17452 0.81393 0.75344 0.30304 0.96480 0.79029 0.79029 -0.05087 0.19580 0.19581 1.17429 0.81391 0.74058 0.24226 0.95838 0.84763 0.84764 0.07453 0.17827 0.17828 1.17434 0.81397 0.74825 0.19568 0.96053 0.83479 0.83479 -0.15290 0.12923 0.12923 1.17436 0.81425 0.69495 0.80506 0.86654 0.84670 0.84671 -0.12780 0.27240 0.27240 0.50740 0.23476 0.50740 0.23476 0.50743 0.23469 -1.7351 -0.0008 0.0001 1.7351 -27.6180 -44.1945 -44.1949 -0.0019 -0.0013 0.0001 11.0511 -5.5254 -5.5257 -0.0019 -0.0013 0.0001 -87.0584 0.7409 0.4984 -31.6418 -0.0112 0.0008 -31.6404 -0.7169 -0.4974 -0.0004 -1697.0852 -58.9050 -58.9042 -0.0193 -0.0116 -2.7316 0.0007 -1.9180 -0.0007 -351.3811 -351.3879 -19.6344 0.0015 1.9183 2.8047 0 0 0 0 0 0 0 0 0 139.95749999999998 AuxInfo=1/0/N:2,3,4,5,6,1/CRV:2.2,3.2,4.2,5.2/rA:9BrCC2C2C2C2HHH/rB:;s2;s3;s4;s1s5;s2;s2;s2;/rC:;;;;;;;;; 0.000000 7.153301 0.000000 5.687583 1.465718 0.000000 4.446441 2.706861 1.241142 0.000000 3.074675 4.078627 2.612908 1.371766 0.000000 1.834674 5.318627 3.852909 2.611766 1.240000 0.000000 7.620784 1.105868 2.129832 3.271339 4.593481 5.808413 0.000000 7.620811 1.105864 2.129882 3.271356 4.593487 5.808422 1.787502 0.000000 7.621157 1.105880 2.129855 3.271276 4.593450 5.808540 1.787457 1.787430 0.000000 156.9477672 0.5166920 0.5166919 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= 67 67 67 67 67 MxSgAt= 9 MxSgA2= 9. 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 9 9 9 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 9 9 9 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= 861 NPrTT= 4306 LenC2= 840 LenP2D= 3244. LDataN: DoStor=T MaxTD1= 5 Len= 102 NBasis= 67 RedAO= T EigKep= 1.99D-03 NBF= 67 NBsUse= 67 1.00D-06 EigRej= -1.00D+00 NBFU= 67 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= 67 67 67 67 67 MxSgAt= 9 MxSgA2= 9. 1 Closed 1 1 1 -205.155247538219 -205.190747014753 -0.035499476533 -205.252635917281 -0.061888902528 -204.951264370148 0.301371547132 -205.251933367504 -0.300668997356 -205.289539528316 -0.037606160811 -205.289614656298 -0.000075127982 -205.289632680745 -0.000018024448 -205.289633861886 -0.000001181140 -205.289633898171 -0.000000036285 -205.289633904532 -0.000000006360 -205.289633904678 -0.000000000147 -205.289633904687 -0.000000000008 -205.289633905 13 1.955664134783e+02 -7.658438683922e+02 2.177983204654e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=3514810. IVT= 32973 IEndB= 32973 NGot= 2818572288 MDV= 2815943535 LenX= 2815943535 LenY= 2815938605 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= 2278 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. -6.82644700e-01 -3.25685967e-04 5.52386134e-05 1 2 3 4 5 6 7 8 9 35 6 6 6 6 6 1 1 1 -0.026531319 0.000020146 0.000003660 0.006316528 -0.000080144 0.000025132 -0.076043966 -0.000003521 0.000005641 0.074327432 0.000038853 -0.000005580 -0.073115916 -0.000015985 -0.000003225 0.104273293 -0.000026102 0.000001431 -0.003072392 -0.004376929 -0.004954772 -0.003066293 -0.002090778 0.006265792 -0.003087368 0.006534461 -0.001338079 0.104273293 0.032449465 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -205.297363787035 -205.297352800662 0.000010986373 -205.297367637251 -0.000014836590 -205.297379745703 -0.000012108452 -205.297382415621 -0.000002669918 -205.297382589496 -0.000000173875 -205.297382596065 -0.000000006569 -205.297382596963 -0.000000000898 -205.297382596977 -0.000000000013 -205.297382596977 -0.000000000001 -205.297382597 10 1.952802013317e+02 -7.628872739871e+02 2.164799047969e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=3514810. IVT= 32973 IEndB= 32973 NGot= 2818572288 MDV= 2815943535 LenX= 2815943535 LenY= 2815938605 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= 2278 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 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 -9.957398 -9.939513 -9.932203 -9.929427 -9.927695 -0.805867 -0.731906 -0.698519 -0.646106 -0.549264 -0.453836 -0.424441 -0.395597 -0.395585 -0.334369 -0.334369 -0.287928 -0.287927 -0.213011 -0.213010 -0.061527 -0.049344 -0.049342 0.044908 0.049476 0.049476 0.071897 0.106396 0.106404 0.124506 0.163694 0.186850 0.186866 0.193236 0.234407 0.234410 0.236151 0.270648 0.291422 0.291427 0.335899 0.354536 0.354542 0.440740 0.440741 0.478985 0.478993 0.514003 0.543911 0.585654 0.585661 0.692369 0.784697 0.867438 0.915336 1.030510 1.030553 1.072440 1.094665 1.178883 1.246983 8.542548 22.244308 22.524185 22.606979 22.763590 22.831098 15.955644 15.954213 15.952715 15.956799 15.954715 0.696920 1.692478 1.623017 1.710728 1.656610 1.138361 1.379232 0.957775 0.957772 0.861259 0.861256 0.960427 0.960428 1.204875 1.204877 1.545529 1.415638 1.415667 0.301929 0.171903 0.171903 0.977416 1.612113 1.612222 1.124691 0.841179 1.246886 1.246965 1.955407 1.168508 1.168445 1.026705 1.669752 1.153902 1.153875 1.341957 1.364107 1.364114 1.054117 1.054084 1.521136 1.521166 1.939506 1.808521 1.617757 1.617749 2.387508 2.666155 3.081446 3.257014 2.515045 2.515132 4.256270 3.495138 3.527077 2.778950 3.626217 57.355734 57.377129 57.374976 57.430344 57.420601 1.952802013317D+02 PT100.400S 2017-07-17T21:17:40.000+02:00 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 Br C C C C C H H H 0.104804 -0.758068 0.068947 -0.055771 0.332093 -0.465555 0.257835 0.257840 0.257876 0.00000 -0.80587 -0.73191 -0.69852 -0.64611 -0.54926 -0.45384 -0.42444 -0.39560 -0.39558 -0.33437 -0.33437 -0.28793 -0.28793 -0.21301 -0.21301 -0.06153 -0.04934 -0.04934 0.04491 0.04948 0.04948 0.07190 0.10640 0.10640 0.12451 0.16369 0.18685 0.18687 0.19324 0.23441 0.23441 0.23615 0.27065 0.29142 0.29143 0.33590 0.35454 0.35454 0.44074 0.44074 0.47898 0.47899 0.51400 0.54391 0.58565 0.58566 0.69237 0.78470 0.86744 0.91534 1.03051 1.03055 1.07244 1.09467 1.17888 1.24698 8.54255 22.24431 22.52419 22.60698 22.76359 22.83110 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 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 -9.95740 -9.93951 -9.93220 -9.92943 -9.92769 -0.80587 -0.73191 -0.69852 -0.64611 -0.54926 -0.45384 -0.42444 -0.39560 -0.39558 -0.33437 -0.33437 -0.28793 -0.28793 -0.21301 -0.21301 -0.06153 -0.04934 -0.04934 0.04491 0.04948 0.04948 0.07190 0.10640 0.10640 0.12451 0.16369 0.18685 0.18687 0.19324 0.23441 0.23441 0.23615 0.27065 0.29142 0.29143 0.33590 0.35454 0.35454 0.44074 0.44074 0.47898 0.47899 0.51400 0.54391 0.58565 0.58566 0.69237 0.78470 0.86744 0.91534 1.03051 1.03055 1.07244 1.09467 1.17888 1.24698 8.54255 22.24431 22.52419 22.60698 22.76359 22.83110 0.00005 -0.00062 -0.00036 -0.00016 -0.00004 0.54561 -0.08464 -0.13312 0.11146 0.11815 0.20137 -0.02978 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.22719 -0.00035 0.00033 -0.00461 0.00000 0.00000 -0.03195 0.00015 -0.00005 -0.06103 -0.11478 0.00006 -0.00004 0.04284 0.00036 0.00027 -0.07062 -0.16218 0.00005 -0.00008 -0.14663 -0.00006 -0.00004 -0.00001 0.00000 -0.00007 -0.00005 -0.11366 0.03197 -0.00007 0.00024 -0.09560 -0.07075 0.02117 0.00851 0.00000 0.00001 -0.05340 -0.04362 0.06663 0.01414 2.42061 0.06088 -0.01154 -0.00642 0.04610 -0.06947 -0.00007 0.00451 0.00134 0.00056 -0.00166 0.35895 -0.07637 -0.11923 0.10747 0.16522 0.17152 -0.00759 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00003 -0.63571 -0.00098 0.00091 -0.08383 0.00002 -0.00001 -0.38205 0.00069 -0.00018 -0.48642 -1.00721 -0.00019 0.00018 0.13340 0.00406 0.00304 -0.80204 -1.41905 0.00050 -0.00078 -1.13480 -0.00058 -0.00034 -0.00010 -0.00009 -0.00070 -0.00051 -1.01408 0.59862 -0.00084 0.00270 -0.77918 -0.67430 0.19158 0.11487 0.00004 0.00006 -0.27545 -0.64412 0.67575 0.21150 -5.99194 -0.19569 -0.01666 -0.00689 -0.15237 0.30700 -0.00023 0.00000 -0.00003 0.00003 0.00048 -0.12655 0.00007 -0.01689 0.04077 0.10781 0.48798 -0.10600 -0.00001 0.00000 0.00002 0.00025 0.00002 0.00026 -0.00005 0.00016 0.55133 0.00086 -0.00082 -0.28627 0.00003 -0.00001 -0.00777 -0.00011 0.00005 0.01947 -0.04055 0.00030 -0.00022 0.13144 -0.00064 -0.00040 0.12057 -0.30997 0.00004 -0.00013 -0.65366 -0.00010 -0.00009 -0.00027 -0.00016 0.00108 0.00076 0.76247 -0.46626 0.00054 -0.00167 0.44664 0.25275 -0.07280 -0.03588 0.00004 -0.00003 0.39131 -0.03216 -0.12924 -0.13089 0.13025 0.00114 0.00980 0.00912 -0.01943 -0.01552 0.00000 0.00000 0.00000 0.00000 0.00000 0.00006 0.00000 0.00001 -0.00002 -0.00006 -0.00026 0.00005 0.00330 0.00917 0.07890 0.46785 0.07588 0.45471 -0.06590 0.29408 -0.00063 0.10640 -0.11348 0.00008 0.14901 -0.15895 0.00008 -0.08832 0.04832 -0.00010 0.00004 -0.02026 0.00661 0.00009 0.01342 0.04432 0.00020 0.00013 -0.08914 0.06696 0.00024 -0.03113 -0.01586 -0.90110 -0.75801 0.29393 0.22446 -0.00072 0.00018 0.00337 -0.03653 -0.00020 -0.00002 0.00000 -0.00002 0.00152 -0.00044 -0.00016 0.00000 0.00005 0.00005 -0.00007 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00003 -0.00001 0.00917 -0.00330 0.46785 -0.07890 0.45471 -0.07588 0.29408 0.06590 0.00005 -0.11349 -0.10640 -0.00001 -0.15895 -0.14901 0.00001 0.04832 0.08832 0.00002 -0.00001 -0.00661 -0.02025 -0.00003 0.04432 -0.01342 0.00019 0.00000 -0.06697 -0.08914 -0.00002 0.01587 -0.03111 0.75799 -0.90113 -0.22453 0.29385 0.00007 -0.00002 -0.03653 -0.00338 0.00002 0.00000 0.00000 0.00000 -0.00044 -0.00152 0.00002 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00077 -0.00156 -0.00005 0.00002 0.00053 -0.01307 0.01119 0.01450 -0.00847 -0.01876 0.11146 -0.04035 0.00000 0.00000 0.00001 0.00009 0.00001 0.00012 -0.00003 0.00010 0.79716 0.00131 -0.00124 -0.39121 0.00004 -0.00001 0.18284 -0.00088 0.00031 0.32528 0.56974 -0.00064 0.00038 -0.30547 -0.00248 -0.00199 0.48878 1.25801 -0.00044 0.00074 2.21866 0.00087 0.00057 0.00046 0.00029 -0.00147 -0.00098 -0.54945 0.30306 -0.00024 0.00061 -0.11830 0.14183 -0.20222 -0.26219 -0.00003 -0.00003 0.03958 0.25139 -0.01738 -0.16502 2.31117 0.07994 0.03681 0.01083 0.04837 -0.09509 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00003 -0.00007 0.00004 0.00073 0.00204 0.02876 0.17053 0.03429 0.20550 -0.04079 0.18203 -0.00079 0.12103 -0.12909 0.00010 0.22228 -0.23710 0.00003 -0.18188 0.09950 -0.00045 -0.00032 -0.12251 0.03997 0.00081 -0.02975 -0.09830 -0.00075 -0.00053 0.15695 -0.11790 -0.00135 0.29469 0.15024 1.39044 1.16966 -0.78253 -0.59767 0.00061 0.00079 0.03801 -0.41133 0.00006 -0.00042 0.00012 0.00008 -0.02809 0.00808 -0.00012 -0.00024 0.00035 0.00020 -0.00122 -0.00004 -0.00003 -0.00001 -0.00002 0.00011 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00204 -0.00074 0.17053 -0.02876 0.20550 -0.03429 0.18203 0.04079 0.00006 -0.12909 -0.12104 -0.00002 -0.23710 -0.22229 0.00004 0.09951 0.18188 0.00008 -0.00001 -0.03999 -0.12251 -0.00018 -0.09830 0.02976 -0.00039 0.00004 0.11791 0.15695 0.00009 -0.15027 0.29468 -1.16962 1.39051 0.59775 -0.78241 -0.00004 -0.00028 -0.41133 -0.03798 0.00003 0.00005 -0.00003 -0.00001 0.00805 0.02812 0.00002 0.00003 -0.00003 -0.00004 0.00012 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00003 0.00028 -0.00068 -0.00029 -0.00022 -0.00216 -0.00285 -0.00425 0.00281 0.01688 0.01079 0.00853 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.10560 0.00021 -0.00019 1.32733 -0.00020 0.00010 -0.11261 0.00021 -0.00010 -0.12914 -0.07684 -0.00036 0.00028 -0.12474 0.00228 0.00166 -0.44010 -0.21636 0.00032 -0.00037 -1.09220 -0.00037 -0.00030 -0.00022 -0.00015 0.00073 0.00044 0.37393 -0.02366 0.00012 -0.00039 0.05095 0.04146 0.08235 0.14900 0.00001 0.00002 0.01734 -0.16536 -0.07876 0.10442 -0.38215 0.00465 -0.02537 -0.00393 -0.01916 0.01198 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00041 0.00113 0.00214 0.01271 0.00064 0.00383 -0.00147 0.00655 -0.00013 0.02951 -0.03148 -0.00032 -0.83805 0.89392 -0.00012 0.03890 -0.02127 0.00001 -0.00005 -0.00161 0.00053 0.00000 -0.01485 -0.04911 -0.00005 0.00024 0.16248 -0.12206 0.00049 0.13570 0.06920 -0.66218 -0.55702 0.21105 0.16118 -0.00027 -0.00022 -0.00682 0.07379 -0.00003 0.00009 -0.00006 -0.00008 0.00578 -0.00166 0.00006 0.00008 -0.00006 -0.00008 0.00018 0.00000 0.00002 0.00001 0.00000 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00113 -0.00041 0.01271 -0.00214 0.00383 -0.00064 0.00655 0.00147 0.00001 -0.03148 -0.02951 0.00009 0.89392 0.83805 -0.00001 -0.02129 -0.03889 -0.00001 0.00001 -0.00052 -0.00161 0.00000 -0.04909 0.01487 -0.00022 -0.00005 0.12206 0.16248 -0.00007 -0.06918 0.13570 0.55701 -0.66219 -0.16122 0.21100 0.00002 0.00006 0.07379 0.00681 0.00000 -0.00001 0.00001 0.00001 -0.00166 -0.00578 -0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00017 -0.00035 0.01921 0.60007 0.00855 -0.00058 -0.06141 0.07798 0.06990 -0.02873 0.00681 0.01244 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00361 0.00000 0.00000 -0.01422 0.00000 0.00000 -0.08548 -0.00005 0.00003 0.01879 0.02153 -0.00005 0.00003 -0.02269 0.00003 0.00002 -0.00362 0.03648 0.00000 0.00001 -0.02857 -0.00001 -0.00001 0.00000 0.00000 -0.00003 -0.00002 -0.02001 -0.01252 0.00000 0.00002 0.01626 0.01359 0.12638 -0.09697 0.00000 0.00001 -0.00812 -0.01666 -0.01034 0.02140 0.00942 -0.42434 0.97626 -1.38071 -0.24544 -0.05885 -0.00006 -0.00021 0.01402 0.43367 0.00623 -0.00091 -0.07748 0.09810 0.08828 -0.03634 0.00880 0.01595 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00429 0.00000 0.00000 -0.01833 0.00001 -0.00001 -0.10959 -0.00006 0.00004 0.02409 0.02843 -0.00007 0.00005 -0.03479 0.00003 0.00002 -0.00370 0.05354 0.00000 0.00001 -0.04072 -0.00001 -0.00001 0.00000 0.00000 -0.00004 -0.00002 -0.02382 -0.01299 0.00000 0.00002 0.02259 0.02904 0.20585 -0.15143 -0.00001 0.00001 -0.01200 -0.03085 -0.02230 0.05292 0.00319 0.45934 -1.07331 1.52430 0.27311 0.06553 -0.00076 -0.00033 -0.00023 0.02016 -0.00021 0.00643 0.21309 -0.26568 -0.24973 0.10143 -0.02666 -0.04578 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00297 -0.00001 0.00002 0.03971 -0.00001 0.00001 0.21233 0.00018 -0.00008 -0.05205 -0.05638 0.00049 -0.00036 0.22701 0.00018 0.00013 -0.04460 -0.29236 0.00002 -0.00007 0.19241 0.00008 0.00007 0.00000 0.00000 0.00003 0.00001 -0.02067 -0.06839 0.00007 -0.00005 -0.10110 -0.41118 -1.91314 1.32241 0.00012 -0.00014 0.09400 0.38247 0.35980 -1.13227 -0.14634 -0.08279 0.30999 -0.44791 -0.09399 -0.01104 0.00411 -0.00084 0.00471 -0.02556 0.00357 -0.03086 0.18615 -0.27153 -0.16583 0.15857 -0.03457 -0.01437 0.00001 0.00001 0.00001 0.00000 -0.00001 0.00001 0.00002 0.00002 0.15140 0.00019 -0.00001 0.49044 -0.00012 0.00013 3.32654 0.00101 -0.00098 -0.36005 -1.15346 -0.00193 0.00187 -0.83514 -0.00242 -0.00178 0.48894 0.76780 -0.00001 0.00016 0.08687 -0.00002 -0.00001 0.00028 0.00023 0.00213 0.00151 1.71038 -0.68314 0.00114 -0.00464 -1.77821 0.42545 5.53134 -3.66432 -0.00033 0.00040 0.05448 -0.10977 -2.03989 5.82426 0.96947 0.01527 -0.55093 0.92713 0.31808 -0.08744 0.00006 -0.00033 -0.00001 0.00014 -0.00009 0.00025 0.06404 -0.04505 0.03146 -0.09638 0.10889 0.46910 0.00009 -0.00007 -0.00001 0.00001 0.00001 -0.00002 -0.00001 0.00003 0.01133 -0.00001 0.00003 -0.00924 0.00000 0.00000 -0.07734 0.00026 0.00002 -0.17411 0.32443 0.00080 -0.00073 0.41764 0.00252 0.00206 -0.49656 -0.20302 0.00010 -0.00022 0.37696 0.00010 0.00014 0.00010 0.00009 0.00074 0.00053 0.54931 -0.15917 0.00032 -0.00133 -0.59475 -0.01080 0.32077 0.00616 -0.00006 0.00000 0.05854 0.28651 0.11470 0.22344 0.01681 0.01435 -0.00683 0.00424 0.01599 -0.00168 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00001 0.00000 -0.00002 0.00002 0.00003 0.17457 0.48530 -0.01180 -0.07000 0.01863 0.11167 0.02077 -0.09269 -0.00002 0.00223 -0.00238 0.00001 -0.00299 0.00319 0.00001 -0.19901 0.10888 -0.00043 -0.00014 0.51028 -0.16661 -0.00140 -0.21243 -0.70154 -0.00403 -0.00013 -0.26217 0.19698 -0.00005 0.18352 0.09355 0.01828 0.01538 0.06521 0.04982 0.00011 -0.00008 -0.00510 0.05494 -0.00013 -0.00002 0.00006 -0.00002 0.48706 -0.13978 -0.00014 0.00002 0.00000 0.00010 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00002 -0.00011 0.48531 -0.17457 -0.06999 0.01181 0.11165 -0.01864 -0.09268 -0.02077 0.00000 -0.00238 -0.00224 0.00000 0.00319 0.00298 0.00000 0.10887 0.19896 0.00005 0.00006 0.16650 0.51034 0.00044 -0.70160 0.21233 -0.00277 0.00017 -0.19690 -0.26215 -0.00005 -0.09359 0.18348 -0.01538 0.01828 -0.04981 0.06521 -0.00005 0.00005 0.05493 0.00505 0.00005 0.00001 -0.00001 0.00001 -0.13978 -0.48710 -0.00001 -0.00007 -0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00273 0.00086 0.00275 -0.00337 0.00239 -0.02051 -0.00936 -0.00871 0.00803 0.02057 0.03316 0.13094 0.00003 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.10260 0.00014 -0.00009 0.05320 0.00000 0.00002 0.87440 0.00141 -0.00052 -1.60081 1.10082 -0.00392 0.00255 -1.42165 -0.00019 -0.00055 0.06826 0.73855 -0.00027 0.00045 -0.69362 0.00004 -0.00010 0.00008 0.00011 -0.00019 0.00007 -0.28970 -1.33679 0.00077 -0.00190 -0.38146 -0.45097 0.04083 -0.16563 0.00015 0.00007 0.04276 -0.37098 -1.19189 2.24600 0.61388 -0.13522 -0.07984 0.15083 0.07385 -0.05975 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00002 0.00001 0.00001 0.00000 0.00001 0.04606 0.12805 -0.00114 -0.00674 0.00700 0.04192 0.01005 -0.04485 0.00006 -0.02890 0.03082 0.00009 -0.00440 0.00469 0.00025 -0.49140 0.26887 -0.00134 -0.00026 2.04848 -0.66829 -0.00649 0.47261 1.56109 0.00849 -0.00062 0.91744 -0.68937 0.00066 -0.89471 -0.45597 -0.25480 -0.21424 -0.68403 -0.52242 0.00261 -0.00136 -0.08994 0.97303 -0.00055 -0.00083 0.00047 0.00010 -1.32797 0.38104 0.00010 0.00009 0.00006 0.00063 -0.00020 -0.00002 -0.00004 0.00003 0.00005 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00003 0.12805 -0.04606 -0.00674 0.00114 0.04192 -0.00699 -0.04484 -0.01005 -0.00001 0.03084 0.02890 -0.00001 0.00469 0.00438 -0.00013 0.26881 0.49131 0.00027 0.00039 0.66890 2.04870 0.00230 1.56125 -0.47262 0.00630 -0.00047 0.68916 0.91765 0.00017 0.45638 -0.89459 0.21436 -0.25473 0.52262 -0.68404 -0.00027 0.00038 0.97300 0.08983 0.00003 0.00012 -0.00006 -0.00005 0.38117 1.32804 0.00004 0.00009 0.00014 -0.00025 -0.00004 0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00039 -0.00031 0.59135 -0.01749 -0.10211 -0.00201 -0.08661 0.04384 -0.04101 0.06281 -0.02082 -0.03801 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00569 0.00000 0.00000 -0.00629 0.00000 0.00000 0.01755 0.00011 -0.00003 -0.07504 0.01026 0.00007 -0.00006 0.03462 0.00013 0.00009 -0.02428 0.00752 0.00000 0.00000 0.02355 -0.00001 0.00000 0.00001 0.00000 0.00009 0.00004 0.06381 0.07311 -0.00002 -0.00001 -0.00115 -0.00114 0.03364 0.05310 -0.00001 0.00001 -0.02882 -0.06729 -0.07499 -0.06947 0.02428 -0.86480 0.78569 0.63972 0.83123 0.79867 -0.00016 -0.00007 0.42756 -0.01251 -0.07359 -0.00282 -0.10873 0.05471 -0.05140 0.07853 -0.02612 -0.04947 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00854 0.00000 0.00000 -0.00788 0.00000 0.00000 0.02400 0.00014 -0.00004 -0.09700 0.01495 0.00009 -0.00008 0.04388 0.00020 0.00014 -0.03824 0.01897 0.00000 0.00000 0.02877 -0.00001 0.00000 0.00001 0.00000 0.00012 0.00006 0.09283 0.11148 -0.00003 0.00000 0.00035 0.00552 0.05865 0.09184 -0.00001 0.00002 -0.04470 -0.10996 -0.11991 -0.11569 0.00652 0.93663 -0.86431 -0.70669 -0.92495 -0.89132 -0.00131 -0.00158 0.01953 -0.00129 -0.00505 0.01402 0.30636 -0.15010 0.13990 -0.20482 0.06573 0.16067 0.00003 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00003 -0.05365 -0.00006 0.00004 0.01710 -0.00001 0.00000 -0.07136 -0.00030 0.00008 0.21648 -0.07932 -0.00012 0.00013 -0.05726 -0.00153 -0.00111 0.28720 -0.33131 0.00000 -0.00006 -0.00131 0.00015 0.00008 -0.00003 0.00001 -0.00066 -0.00031 -0.52331 -0.75311 0.00028 -0.00016 -0.01721 -0.29023 -0.61005 -1.14932 0.00004 -0.00016 0.35712 1.08196 1.09860 1.27855 -0.29064 -0.16707 0.26703 0.21366 0.31342 0.30697 0.00614 0.01015 -0.02703 0.00619 0.01734 -0.03417 0.13400 0.01846 0.05586 -0.18284 0.15478 0.07977 0.00004 0.00001 0.00000 0.00007 0.00000 0.00001 0.00002 -0.00001 0.31584 0.00059 -0.00048 0.41088 -0.00007 0.00006 0.27531 -0.00410 0.00136 3.05470 0.56132 -0.00238 0.00206 -1.30735 0.01531 0.01137 -2.88227 2.22550 -0.00010 0.00056 -1.23028 -0.00055 -0.00058 -0.00019 -0.00011 -0.00167 -0.00095 -1.37826 -1.38128 0.00000 0.00179 -0.13004 4.01761 0.97558 6.59526 0.00042 0.00036 1.37761 -4.24654 -5.23591 -5.38566 1.99360 0.01417 -0.55895 -0.54137 -0.93130 -0.88272 -0.00019 -0.00021 0.00041 0.00055 -0.00073 0.00556 0.05261 0.11304 0.25790 -0.11960 -0.06188 -0.42241 -0.00008 -0.00008 0.00001 -0.00001 -0.00001 0.00006 0.00006 -0.00011 -0.02103 0.00010 -0.00005 0.03511 0.00000 0.00000 0.09290 0.00002 0.00001 -0.11730 0.22596 -0.00041 0.00025 -0.15844 -0.00052 -0.00031 0.09158 -0.46539 -0.00004 -0.00006 0.21503 0.00035 0.00019 0.00004 0.00004 0.00017 0.00013 0.08485 0.09156 -0.00004 -0.00013 -0.41623 0.91948 0.32880 0.55863 0.00013 0.00000 0.46169 0.31957 0.27481 0.21498 0.01682 0.02366 0.01640 -0.02903 0.02588 0.03824 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00003 0.00002 0.00007 -0.00004 -0.00002 -0.00013 0.06863 0.19080 0.01196 0.07092 -0.03926 -0.23521 -0.08770 0.39137 0.00091 -0.32873 0.35063 0.00005 -0.01187 0.01266 0.00004 -0.22133 0.12114 -0.00025 0.00008 -0.30835 0.10067 0.00104 -0.07939 -0.26258 -0.00118 -0.00001 0.15742 -0.11821 0.00021 -0.50068 -0.25527 -0.14804 -0.12451 -0.43365 -0.33128 0.00139 -0.00064 -0.03163 0.34281 -0.00030 0.00015 0.00015 0.00024 -0.05360 0.01536 0.00016 0.00007 0.00009 0.00009 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00002 0.00001 0.00000 0.00001 0.19078 -0.06863 0.07093 -0.01196 -0.23522 0.03925 0.39138 0.08771 -0.00005 0.35062 0.32875 -0.00001 0.01266 0.01187 -0.00002 0.12109 0.22140 0.00006 -0.00009 -0.10061 -0.30835 -0.00035 -0.26249 0.07956 -0.00101 -0.00004 0.11826 0.15736 0.00003 0.25530 -0.50067 0.12453 -0.14802 0.33127 -0.43370 -0.00016 0.00006 0.34279 0.03170 0.00000 -0.00003 -0.00001 -0.00002 0.01540 0.05358 -0.00002 -0.00003 -0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00864 0.00172 -0.00178 -0.00957 0.01579 -0.06607 -0.01776 -0.02901 -0.00359 0.13796 0.02804 0.11571 0.00004 0.00002 0.00001 0.00004 -0.00002 0.00003 0.00005 0.00000 0.29922 0.00053 -0.00029 0.37406 -0.00005 0.00008 2.44813 -0.00019 -0.00028 -0.17489 0.40599 -0.00560 0.00416 -2.53652 0.00797 0.00597 -1.44648 3.17019 -0.00012 0.00056 -0.98262 -0.00077 -0.00040 0.00025 0.00037 0.00177 0.00186 1.44239 -4.05693 0.00281 -0.00864 -3.36181 -0.58848 2.11122 0.89720 -0.00007 0.00026 0.90030 -0.83056 -6.07056 4.22665 2.47984 -0.28500 -0.39083 0.39094 -0.05641 -0.66299 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00003 -0.00003 0.00000 0.00002 0.00001 0.00898 0.02500 -0.00150 -0.00888 -0.01250 -0.07491 -0.03716 0.16577 0.00077 -0.24091 0.25692 0.00015 -0.03963 0.04227 0.00069 -0.30226 0.16534 -0.00022 0.00009 -1.24959 0.40770 0.00356 -0.12096 -0.39921 -0.00271 0.00161 -0.58894 0.44247 -0.00097 1.17808 0.60050 0.46948 0.39481 1.15701 0.88373 -0.00579 0.00242 0.23155 -2.50675 0.00065 0.00157 -0.00033 -0.00017 0.15347 -0.04389 0.00072 -0.00054 -0.00167 0.00022 0.00115 -0.00005 -0.00006 0.00009 -0.00011 -0.00019 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.02498 -0.00899 -0.00888 0.00150 -0.07491 0.01250 0.16577 0.03714 -0.00005 0.25694 0.24088 0.00000 0.04227 0.03963 -0.00006 0.16542 0.30230 0.00023 -0.00031 -0.40799 -1.24966 -0.00123 -0.39940 0.12081 -0.00159 0.00006 -0.44241 -0.58900 -0.00010 -0.60081 1.17797 -0.39495 0.46939 -0.88393 1.15705 0.00054 -0.00058 -2.50668 -0.23158 0.00034 -0.00017 -0.00021 0.00006 -0.04415 -0.15333 -0.00011 0.00013 0.00039 -0.00041 -0.00021 0.00002 0.00003 -0.00004 0.00000 0.00003 -0.00010 0.01167 0.10154 -0.01167 0.59147 -0.00587 -0.08782 -0.02752 -0.07925 -0.02612 0.02198 0.02383 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.01543 -0.00001 0.00001 -0.00934 0.00000 0.00000 -0.02048 -0.00010 0.00003 0.03339 -0.01383 -0.00024 0.00018 -0.09405 -0.00002 -0.00002 0.00374 -0.00463 0.00001 -0.00001 0.00393 0.00001 0.00000 0.00001 0.00001 0.00006 0.00004 0.05025 -0.00435 0.00002 -0.00008 -0.00795 0.04206 -0.00382 0.03206 -0.00002 0.00001 -0.07317 -0.00451 0.13357 0.02583 -0.00189 -0.81484 0.39331 0.68476 -0.58582 -1.21404 0.00004 0.00861 0.07362 -0.00836 0.42738 -0.00761 -0.11032 -0.03454 -0.09900 -0.03323 0.02810 0.02958 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.02018 -0.00001 0.00001 -0.01206 0.00000 0.00000 -0.02889 -0.00014 0.00005 0.04616 -0.01509 -0.00032 0.00024 -0.12590 -0.00003 -0.00003 0.00559 -0.00356 0.00002 -0.00001 0.00194 0.00001 0.00000 0.00001 0.00001 0.00008 0.00005 0.07492 0.00601 0.00002 -0.00011 -0.00123 0.05876 -0.00317 0.05228 -0.00003 0.00001 -0.11975 -0.00655 0.22110 0.04054 -0.00088 0.88284 -0.43265 -0.75656 0.65201 1.35530 -0.00104 -0.00061 0.00203 -0.00107 0.02166 0.02613 0.31130 0.09609 0.26705 0.09806 -0.08541 -0.06892 -0.00001 0.00000 0.00000 0.00003 -0.00001 -0.00001 0.00000 0.00002 0.05975 0.00003 -0.00002 0.03371 -0.00001 0.00001 0.13369 0.00050 -0.00018 -0.17387 -0.03508 0.00092 -0.00070 0.37506 0.00006 0.00008 -0.01432 -0.07521 -0.00010 0.00005 0.10553 0.00002 0.00007 -0.00006 -0.00001 -0.00047 -0.00020 -0.46614 -0.42358 0.00008 0.00018 -0.32526 -0.20888 -0.05223 -0.47695 0.00025 -0.00011 1.28065 0.14507 -2.37618 -0.32013 0.07764 -0.18414 0.12531 0.24760 -0.23693 -0.48878 0.00252 0.00550 0.00070 0.00334 -0.04206 0.01397 0.12122 0.02399 0.08326 0.07387 -0.01649 -0.07764 -0.00003 -0.00002 -0.00001 -0.00010 0.00002 -0.00004 -0.00002 -0.00005 0.08978 0.00009 -0.00016 0.39996 -0.00008 0.00005 -0.34472 0.00106 -0.00021 0.03331 2.00021 0.00956 -0.00703 3.55148 -0.00623 -0.00437 1.14907 -1.47134 0.00039 -0.00051 -1.43772 -0.00053 -0.00060 -0.00027 -0.00047 -0.00309 -0.00290 -1.67450 4.85133 -0.00314 0.00894 3.70731 -3.11308 0.43976 0.52799 -0.00082 0.00038 -5.41049 -1.61377 11.53737 0.62846 -2.37374 0.33663 -0.27864 -0.63596 0.55656 1.57064 -0.00011 -0.00042 0.00097 0.00021 -0.00017 0.01235 -0.04043 0.15150 -0.13118 0.41376 -0.07003 0.22405 0.00003 -0.00001 0.00000 -0.00005 0.00001 0.00013 0.00003 -0.00009 0.07045 -0.00001 -0.00002 -0.01024 -0.00001 0.00000 -0.12433 0.00010 -0.00004 -0.00524 -0.15267 0.00045 -0.00027 0.14205 -0.00130 -0.00089 0.26460 0.36512 -0.00020 0.00027 -0.35778 -0.00011 -0.00009 -0.00007 -0.00004 -0.00057 -0.00033 -0.34153 -0.02576 -0.00013 0.00031 -0.47440 0.19624 0.34682 0.72217 0.00023 -0.00007 0.74618 0.40539 0.35228 0.38352 -0.07042 -0.01022 0.05063 0.01528 0.04173 0.02825 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00003 -0.00004 0.00011 -0.00002 0.00006 0.03214 0.08937 0.02979 0.17665 -0.06389 -0.38283 -0.06473 0.28883 -0.00047 0.20494 -0.21857 -0.00012 0.04258 -0.04542 -0.00014 0.45667 -0.24987 0.00067 0.00012 0.27213 -0.08885 -0.00117 -0.07547 -0.24927 -0.00137 -0.00001 0.34271 -0.25743 0.00009 -0.17411 -0.08881 0.04231 0.03556 0.23133 0.17666 -0.00160 0.00095 0.06406 -0.69348 0.00018 0.00034 -0.00003 0.00010 -0.01578 0.00455 0.00030 0.00015 0.00003 0.00006 0.00004 0.00000 0.00002 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00002 0.00000 -0.00001 0.08935 -0.03215 0.17666 -0.02979 -0.38283 0.06389 0.28883 0.06473 0.00002 -0.21858 -0.20493 0.00000 -0.04542 -0.04258 -0.00005 -0.24987 -0.45672 -0.00015 0.00008 0.08876 0.27207 0.00036 -0.24926 0.07545 -0.00106 -0.00004 0.25746 0.34269 0.00002 0.08877 -0.17416 -0.03559 0.04227 -0.17672 0.23129 0.00020 -0.00029 -0.69348 -0.06406 0.00003 -0.00004 -0.00002 -0.00003 0.00452 0.01582 -0.00004 -0.00001 0.00000 -0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00813 0.01397 -0.01488 -0.00194 0.00406 -0.04679 0.01404 0.06209 -0.03727 -0.02773 0.11888 -0.01597 0.00003 0.00001 0.00000 0.00002 -0.00001 0.00002 0.00004 -0.00001 0.50147 0.00076 -0.00055 0.75786 -0.00017 0.00017 2.02173 -0.00244 0.00070 1.54509 2.08479 -0.00174 0.00126 -0.95669 0.01727 0.01273 -3.27476 1.86269 0.00013 0.00028 -1.85929 -0.00060 -0.00074 -0.00011 -0.00009 -0.00306 -0.00184 -2.50051 -1.96283 0.00030 0.00191 0.86700 3.14431 1.61669 4.35110 -0.00015 0.00058 -0.00641 -5.24553 -1.74273 -1.02225 1.53822 -0.10428 -0.69066 -0.26435 -0.52634 -0.17995 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00001 -0.00003 0.00003 0.00004 0.00002 0.00002 0.00644 0.01789 0.01298 0.07699 -0.01320 -0.07904 -0.01547 0.06909 -0.00022 0.13972 -0.14900 0.00017 0.04245 -0.04527 0.00053 0.64265 -0.35160 0.00129 0.00074 0.95957 -0.31308 -0.00412 0.20157 0.66584 0.00260 -0.00013 -0.08713 0.06536 -0.00039 -0.21222 -0.10804 -0.30035 -0.25255 -0.45880 -0.35029 0.00587 -0.00561 -0.34272 3.70967 -0.00203 -0.00131 0.00179 0.00229 0.13244 -0.03818 -0.00078 -0.00104 -0.00107 0.00076 -0.00018 -0.00009 -0.00028 -0.00007 -0.00005 -0.00014 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.01789 -0.00643 0.07699 -0.01298 -0.07905 0.01319 0.06909 0.01549 0.00000 -0.14902 -0.13969 -0.00006 -0.04528 -0.04244 -0.00020 -0.35164 -0.64269 -0.00037 0.00010 0.31329 0.95962 0.00114 0.66588 -0.20159 0.00287 -0.00011 -0.06547 -0.08702 0.00014 0.10832 -0.21211 0.25268 -0.30027 0.35059 -0.45872 -0.00064 0.00160 3.70964 0.34266 -0.00019 0.00013 -0.00004 -0.00033 -0.03791 -0.13268 0.00010 0.00011 0.00006 0.00018 0.00003 0.00000 0.00003 0.00003 0.00002 0.00002 0.02536 0.59971 -0.00163 0.00058 -0.01161 -0.02061 -0.06374 -0.09064 0.03711 -0.03973 -0.02799 -0.00930 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.04033 0.00005 -0.00005 -0.02502 0.00000 0.00000 0.01256 0.00007 -0.00002 -0.02773 -0.01042 0.00012 -0.00008 0.04375 0.00018 0.00014 -0.03352 0.05087 0.00000 0.00001 -0.05029 -0.00003 -0.00003 -0.00001 -0.00001 -0.00004 -0.00004 -0.02395 0.05198 -0.00004 0.00013 0.00364 0.04176 -0.01445 -0.01327 0.00000 -0.00001 -0.03135 0.14169 -0.03434 0.00257 0.04502 -0.85460 -0.64493 -0.03596 -1.09258 0.87267 0.01854 0.43342 -0.00100 0.00045 -0.00823 -0.02671 -0.08005 -0.11353 0.04630 -0.05031 -0.03457 -0.01217 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 0.05338 0.00007 -0.00006 -0.03410 0.00000 0.00001 0.01587 0.00010 -0.00003 -0.03709 -0.01177 0.00016 -0.00011 0.05717 0.00023 0.00017 -0.04222 0.07492 0.00000 0.00002 -0.06726 -0.00005 -0.00004 -0.00001 -0.00001 -0.00003 -0.00004 -0.02104 0.08257 -0.00006 0.00018 0.01199 0.05935 -0.02442 -0.02557 0.00000 -0.00002 -0.05336 0.23272 -0.05657 0.00442 0.01287 0.92645 0.70997 0.03991 1.21664 -0.97456 -0.00064 0.02114 -0.00172 -0.00033 -0.00134 0.09088 0.22557 0.31481 -0.12576 0.14467 0.07965 0.04194 0.00001 0.00001 0.00000 0.00003 0.00000 -0.00003 0.00001 -0.00002 -0.17187 -0.00021 0.00021 0.14153 0.00001 -0.00001 -0.03568 -0.00029 0.00011 0.11196 -0.02439 -0.00036 0.00026 -0.10445 -0.00036 -0.00029 0.06523 -0.42757 0.00001 -0.00009 0.18296 0.00021 0.00017 0.00000 0.00005 -0.00040 -0.00010 -0.31502 -0.66705 0.00032 -0.00081 -0.28830 -0.23946 0.23144 0.35245 0.00002 0.00017 0.47731 -2.43124 0.62561 -0.06662 -0.60576 -0.19167 -0.21641 -0.01565 -0.43835 0.34439 0.00820 -0.03738 0.00824 -0.00076 0.00852 -0.05604 0.10718 0.09023 -0.01331 0.08743 0.11707 0.04339 0.00000 0.00001 0.00001 0.00009 0.00000 0.00003 0.00001 -0.00003 -0.37417 -0.00067 0.00060 0.19213 0.00017 -0.00018 -0.14307 -0.00066 0.00004 0.58096 1.28193 -0.00138 0.00092 -0.94865 -0.02038 -0.01500 3.92371 1.37819 -0.00085 0.00097 2.97182 0.00107 0.00095 0.00060 0.00048 0.00673 0.00440 5.50517 -0.29085 0.00216 -0.00891 1.81036 -2.62064 0.12698 -1.64211 -0.00003 -0.00068 -1.60519 10.26360 -4.87957 1.77075 5.55021 0.29546 0.48511 0.17612 1.26087 -1.17403 -0.00080 0.00024 0.00027 0.00006 0.00042 0.04372 -0.04704 0.05739 -0.23626 -0.37670 0.21195 -0.13655 -0.00002 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00002 -0.17661 -0.00025 0.00024 0.05626 0.00003 -0.00003 0.03176 0.00042 -0.00014 -0.18803 -0.08371 0.00060 -0.00042 0.23213 0.00088 0.00064 -0.16299 0.32502 -0.00003 0.00010 0.16303 -0.00007 -0.00004 -0.00001 -0.00002 -0.00003 -0.00005 -0.07765 -0.00129 -0.00001 0.00033 0.82783 -0.31175 0.37868 0.47412 0.00027 -0.00010 0.88807 0.20489 0.32458 0.09171 0.08385 0.00856 0.05007 0.03462 -0.04368 0.01160 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00003 -0.00004 0.00002 0.00001 0.00000 0.00000 0.01354 0.03765 0.05084 0.30145 -0.04938 -0.29589 0.06617 -0.29528 -0.00076 0.22766 -0.24282 0.00006 0.02885 -0.03078 0.00017 -0.48547 0.26562 -0.00071 -0.00005 -0.22016 0.07187 0.00128 -0.02646 -0.08755 -0.00003 0.00047 0.35282 -0.26504 -0.00010 0.03488 0.01778 0.07946 0.06682 0.42155 0.32205 -0.00014 -0.00080 -0.05393 0.58361 -0.00034 0.00011 0.00004 0.00011 0.01934 -0.00556 -0.00009 -0.00012 0.00007 -0.00004 -0.00014 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.03764 -0.01354 0.30145 -0.05084 -0.29589 0.04938 -0.29528 -0.06617 0.00005 -0.24282 -0.22767 0.00001 -0.03078 -0.02886 0.00008 0.26562 0.48550 0.00016 -0.00006 -0.07183 -0.22012 -0.00033 -0.08750 0.02654 -0.00039 -0.00010 0.26506 0.35283 -0.00001 -0.01777 0.03485 -0.06683 0.07943 -0.32200 0.42157 -0.00001 0.00035 0.58362 0.05390 0.00001 -0.00002 0.00000 -0.00001 -0.00555 -0.01936 0.00001 0.00001 -0.00001 0.00001 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.01674 0.00029 -0.00774 -0.00397 -0.01022 -0.09828 -0.03171 -0.04978 -0.02590 0.13573 0.12851 0.10766 0.00003 0.00001 0.00000 -0.00004 0.00000 0.00002 0.00003 -0.00003 0.30333 0.00039 -0.00023 1.05489 -0.00016 0.00013 2.13928 -0.00175 0.00036 1.67675 3.82303 0.00254 -0.00188 0.25435 -0.00151 -0.00072 0.32392 1.67216 -0.00008 0.00034 -2.31567 -0.00059 -0.00068 0.00007 -0.00001 -0.00108 -0.00084 -0.24206 0.57228 -0.00031 0.00031 0.34548 -3.34119 3.14994 3.71891 -0.00052 0.00053 -4.11340 -0.77640 0.80381 3.08657 1.97230 0.01027 -0.70208 -0.33172 0.43469 0.03544 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00004 -0.00005 -0.00002 0.00000 0.00001 0.00149 0.00414 0.00150 0.00888 -0.01771 -0.10617 0.01512 -0.06748 -0.00067 0.22615 -0.24123 -0.00001 -0.04661 0.04971 0.00019 -0.73144 0.40017 -0.00117 -0.00026 -0.62453 0.20378 0.00294 -0.06594 -0.21774 -0.00126 0.00028 -0.44197 0.33205 -0.00040 0.33005 0.16822 0.06622 0.05573 -1.06902 -0.81675 -0.00273 0.00458 0.30573 -3.30880 0.00159 0.00099 -0.00102 -0.00115 -0.16285 0.04686 0.00063 -0.00048 0.00090 -0.00040 0.00070 0.00006 0.00006 0.00002 -0.00007 0.00015 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00414 -0.00149 0.00888 -0.00150 -0.10616 0.01772 -0.06748 -0.01513 0.00004 -0.24121 -0.22618 0.00003 0.04971 0.04660 0.00012 0.40021 0.73146 0.00030 -0.00013 -0.20388 -0.62452 -0.00079 -0.21780 0.06591 -0.00085 0.00008 -0.33202 -0.44204 0.00003 -0.16837 0.33007 -0.05574 0.06629 0.81650 -1.06909 0.00042 -0.00168 -3.30882 -0.30559 0.00014 -0.00009 -0.00001 0.00012 0.04667 0.16306 -0.00005 0.00014 -0.00010 -0.00012 -0.00006 0.00000 0.00000 -0.00001 0.00001 -0.00003 0.59984 -0.02559 0.00050 0.00014 0.00054 -0.05795 -0.02620 -0.05794 0.06233 0.06310 0.03267 0.00247 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.07987 -0.00012 0.00011 0.00741 0.00000 0.00000 0.01442 -0.00004 0.00001 0.02239 0.03266 -0.00009 0.00006 -0.03830 0.00010 0.00007 -0.01947 0.02113 0.00000 0.00000 0.00816 0.00000 -0.00001 0.00001 0.00000 0.00005 0.00002 0.03483 0.06137 -0.00003 0.00005 -0.00214 -0.02094 -0.03164 -0.05163 0.00003 -0.00001 0.12422 -0.02952 0.04129 -0.02316 -0.00919 -0.87991 -0.98036 -0.56288 0.90557 -0.48083 0.43365 -0.01827 0.00050 0.00015 0.00049 -0.07233 -0.03317 -0.07271 0.07794 0.07885 0.04227 0.00250 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.10407 -0.00015 0.00014 0.00771 0.00000 0.00000 0.01542 -0.00006 0.00002 0.02821 0.03981 -0.00014 0.00009 -0.05555 0.00016 0.00011 -0.03017 0.02898 0.00001 0.00000 0.01229 0.00000 -0.00001 0.00001 0.00000 0.00008 0.00003 0.05463 0.09730 -0.00004 0.00007 -0.00684 -0.02523 -0.05667 -0.08906 0.00004 -0.00002 0.19866 -0.04633 0.06588 -0.03981 -0.00373 0.95432 1.07980 0.62241 -1.00865 0.53723 0.01986 -0.00242 -0.00144 -0.00058 -0.00090 0.19317 0.09695 0.19978 -0.20844 -0.20191 -0.12711 0.00591 0.00000 0.00000 0.00000 0.00002 0.00000 0.00000 0.00000 0.00000 0.28898 0.00040 -0.00038 0.04675 0.00001 -0.00001 0.05321 0.00025 -0.00009 -0.04448 -0.01615 0.00084 -0.00058 0.29530 -0.00114 -0.00078 0.22208 -0.11121 -0.00007 0.00002 -0.06703 -0.00001 0.00005 -0.00005 0.00001 -0.00053 -0.00016 -0.37840 -0.81170 0.00037 -0.00071 0.22108 -0.06824 0.72444 1.04245 -0.00036 0.00017 -1.81290 0.37733 -0.63414 0.51394 0.14189 -0.17685 -0.32809 -0.19314 0.33505 -0.18561 -0.02873 0.01159 0.00626 0.00419 0.00545 0.21201 0.06957 0.16893 -0.12537 -0.28850 -0.30762 -0.09628 -0.00003 -0.00001 0.00000 0.00003 0.00000 -0.00006 -0.00002 0.00000 0.94651 0.00162 -0.00165 -1.00806 0.00007 -0.00005 -1.92316 0.00108 -0.00008 -1.55529 -3.46668 -0.00230 0.00164 -0.09038 0.00651 0.00435 -1.28365 -1.42108 0.00021 -0.00035 1.42408 0.00044 0.00036 -0.00027 -0.00023 -0.00132 -0.00100 -1.23042 1.00323 -0.00103 0.00326 -1.89347 3.81586 -3.97683 -4.52199 0.00064 -0.00039 5.44630 -2.93163 2.02019 -3.68924 -2.19479 0.09400 0.74979 0.38241 -0.93952 0.49558 0.00045 0.00057 0.00017 -0.00010 0.00005 0.10590 -0.09830 -0.17304 0.13359 0.03253 -0.42069 0.10851 0.00001 0.00001 0.00001 0.00015 0.00000 -0.00002 0.00006 -0.00018 0.41120 0.00052 -0.00051 -0.10114 0.00000 0.00000 -0.05265 -0.00045 0.00016 0.07465 -0.08258 -0.00106 0.00074 -0.34149 0.00051 0.00034 -0.10902 -0.42051 0.00023 -0.00030 0.14937 0.00026 0.00014 -0.00005 -0.00003 0.00024 0.00016 0.16652 0.01425 0.00007 -0.00025 0.46981 -0.86778 0.45025 0.37816 0.00018 -0.00004 0.40259 0.11812 0.07038 0.25727 -0.04078 -0.02461 -0.00774 0.01343 -0.03170 0.02567 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00006 0.00002 0.00004 -0.00004 -0.00002 0.00017 -0.00005 0.00678 0.01885 0.06060 0.35934 -0.00810 -0.04856 0.08605 -0.38400 0.00087 -0.33122 0.35327 0.00003 0.04312 -0.04599 -0.00009 0.26176 -0.14322 0.00031 0.00002 0.05812 -0.01898 -0.00029 -0.02539 -0.08386 -0.00054 0.00025 0.31570 -0.23717 -0.00021 0.59231 0.30203 -0.19091 -0.16055 -0.37956 -0.28994 0.00049 0.00020 0.01313 -0.14202 -0.00007 0.00017 -0.00013 -0.00012 -0.00371 0.00107 -0.00013 0.00001 -0.00007 -0.00007 0.00009 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00002 0.00001 0.01884 -0.00678 0.35934 -0.06060 -0.04856 0.00810 -0.38400 -0.08605 -0.00005 0.35327 0.33122 -0.00002 -0.04599 -0.04311 -0.00005 -0.14322 -0.26177 -0.00007 0.00002 0.01895 0.05809 0.00008 -0.08386 0.02539 -0.00035 -0.00005 0.23717 0.31572 -0.00006 -0.30200 0.59233 0.16059 -0.19086 0.28993 -0.37955 -0.00003 -0.00013 -0.14203 -0.01311 0.00002 -0.00002 0.00002 0.00002 0.00107 0.00372 0.00002 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00670 -0.01051 -0.00261 -0.00147 0.00257 -0.08069 0.03200 0.03294 -0.03720 -0.09172 0.08025 -0.02461 0.00000 0.00000 0.00001 0.00008 0.00000 0.00004 0.00002 -0.00003 0.54540 0.00062 -0.00054 0.36605 0.00002 -0.00002 1.07415 -0.00095 0.00013 1.16792 2.52505 0.00124 -0.00090 -0.15990 -0.00954 -0.00693 1.88577 2.99174 -0.00121 0.00174 1.86784 0.00045 0.00036 0.00031 0.00026 0.00241 0.00172 2.36092 -1.54686 0.00186 -0.00561 1.99883 0.68211 0.44609 0.73302 -0.00022 -0.00005 -0.82380 2.30430 -2.14165 0.37079 5.99550 0.19373 -0.09205 -0.05561 0.42689 -0.56666 0.00000 0.00000 0.00000 0.00000 0.00000 0.00003 -0.00001 -0.00002 0.00004 0.00002 -0.00003 -0.00002 0.00164 0.00455 0.02218 0.13149 0.00311 0.01866 0.03755 -0.16755 0.00071 -0.32081 0.34219 -0.00016 0.08870 -0.09461 -0.00068 0.57592 -0.31509 0.00044 -0.00096 0.42034 -0.13717 -0.00211 0.07432 0.24553 0.00040 -0.00179 -0.37709 0.28326 0.00008 -1.10580 -0.56383 0.05515 0.04631 1.17642 0.89869 -0.00061 -0.00202 -0.15429 1.66968 -0.00135 -0.00002 0.00009 0.00015 0.08851 -0.02546 0.00026 -0.00061 0.00009 -0.00029 -0.00279 -0.00011 0.00004 0.00002 -0.00016 0.00010 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00455 -0.00164 0.13149 -0.02218 0.01866 -0.00312 -0.16755 -0.03755 -0.00003 0.34218 0.32083 0.00000 -0.09461 -0.08869 -0.00003 -0.31511 -0.57593 -0.00016 0.00023 0.13721 0.42034 0.00056 0.24552 -0.07434 0.00111 0.00021 -0.28329 -0.37709 0.00014 0.56385 -1.10583 -0.04637 0.05503 -0.89859 1.17642 -0.00001 0.00092 1.66970 0.15419 0.00000 -0.00004 0.00005 0.00000 -0.02537 -0.08862 -0.00006 0.00005 -0.00001 0.00013 0.00030 0.00001 -0.00001 0.00000 0.00002 -0.00001 -0.00029 -0.00011 -0.00027 -0.00023 -0.00019 0.00172 0.05068 -0.07025 -0.07684 0.04679 -0.02885 -0.10337 -0.22788 -0.09082 0.03354 0.02092 -0.06216 -0.03890 0.04975 0.06885 -0.00317 0.00881 0.09448 -0.00516 0.00073 0.00782 -0.03248 -0.02555 0.11222 -0.03538 0.05653 0.07956 0.04672 -0.01238 0.06158 0.02831 -0.01386 -0.01333 0.03392 0.00694 -0.02040 -0.00381 -0.01473 0.00007 0.00293 -0.00027 -0.00288 -0.05637 -0.16326 -0.04201 -0.04500 -0.10310 -0.09871 0.28652 -0.13816 0.52347 -1.09727 -0.01392 0.21283 0.28820 -0.74957 -0.07034 0.02056 -0.00441 0.00657 -0.00479 0.00450 0.00131 0.00077 0.00014 0.00312 0.00197 -0.00897 -0.00977 -0.00264 -0.02617 0.03737 -0.00604 -0.03980 -0.14497 -0.05778 0.03150 0.01965 -0.05639 -0.03529 0.05871 0.08123 0.02898 0.02231 0.23851 -0.11194 0.00275 0.02911 -0.59402 -0.17878 0.78487 -0.40445 0.89703 1.67850 0.98669 -0.49912 0.43904 0.20241 -0.52806 0.56671 0.38781 0.07959 -0.35127 -0.06799 -0.26280 -0.00252 -0.10100 -0.01880 -0.25767 -0.20712 -0.87396 0.23586 0.24971 -0.18956 -0.37016 -1.20539 0.97291 -0.92704 1.94341 0.11179 -0.30022 -0.86433 0.53397 0.35108 -0.10136 0.04745 -0.09843 -0.03983 -0.07834 -0.00029 -0.00011 -0.00027 -0.00023 -0.00019 0.00172 0.05068 -0.07025 -0.07684 0.04680 -0.02886 -0.10345 0.19256 -0.15193 -0.03488 0.01860 0.06477 -0.03438 -0.08450 0.00867 -0.00321 -0.08623 -0.03960 -0.00516 -0.00714 -0.00328 -0.03249 -0.08439 -0.07823 -0.03537 0.05652 0.00063 -0.09228 -0.01243 -0.05515 0.03920 -0.01444 -0.01331 -0.01094 -0.03288 -0.02041 -0.01088 0.01067 0.00249 -0.00152 -0.00247 0.00160 -0.05638 -0.16326 0.05992 -0.01420 -0.10309 -0.09875 0.28645 -0.13819 0.68858 1.00186 -0.01378 0.21300 0.28824 -0.74962 -0.07034 0.02056 -0.00441 0.00657 -0.00479 0.00450 0.00131 0.00077 0.00014 0.00312 0.00197 -0.00897 -0.00977 -0.00264 -0.02617 0.03737 -0.00604 -0.03983 0.12250 -0.09666 -0.03276 0.01747 0.05876 -0.03120 -0.09971 0.01023 0.02886 -0.21772 -0.10006 -0.11198 -0.02658 -0.01224 -0.59406 -0.59023 -0.54688 -0.40438 0.89659 0.01252 -1.94703 -0.50040 -0.38885 0.27976 -0.53203 0.56701 -0.12523 -0.37567 -0.35142 -0.19382 0.19019 -0.08628 0.05280 -0.21412 0.14505 -0.20725 -0.87397 -0.33443 0.07770 -0.18953 -0.37005 -1.20533 0.97301 -1.21956 -1.77463 0.11156 -0.30053 -0.86442 0.53407 0.35111 -0.10137 0.04745 -0.09843 -0.03984 -0.07834 -0.00029 -0.00011 -0.00027 -0.00023 -0.00019 0.00172 0.05068 -0.07025 -0.07684 0.04679 -0.02886 -0.10344 0.03526 0.24273 0.00134 -0.03951 -0.00261 0.07329 0.03475 -0.07752 -0.00345 0.07741 -0.05487 -0.00518 0.00641 -0.00455 -0.03250 0.10999 -0.03398 -0.03513 0.05661 -0.08029 0.04558 -0.01204 -0.00621 -0.06734 -0.01460 -0.01333 -0.02298 0.02592 -0.02043 0.01469 0.00406 -0.00256 -0.00140 0.00255 0.00124 -0.05626 -0.16338 -0.01763 0.05859 -0.10315 -0.09887 0.28657 -0.13808 -1.21184 0.09529 -0.01342 0.21304 0.28828 -0.74970 -0.07033 0.02056 -0.00441 0.00657 -0.00479 0.00450 0.00131 0.00077 0.00014 0.00312 0.00197 -0.00897 -0.00977 -0.00263 -0.02618 0.03737 -0.00604 -0.03983 0.02244 0.15443 0.00126 -0.03710 -0.00237 0.06649 0.04101 -0.09146 0.02830 0.19557 -0.13863 -0.11210 0.02394 -0.01697 -0.59419 0.76898 -0.23743 -0.40241 0.89777 -1.69472 0.96222 -0.49116 -0.04167 -0.47590 -0.53289 0.56752 -0.26275 0.29642 -0.35181 0.26148 0.07237 0.08885 0.04835 0.23232 0.11266 -0.20844 -0.87350 0.09983 -0.33018 -0.18931 -0.36956 -1.20571 0.97280 2.14654 -0.16883 0.11103 -0.30060 -0.86461 0.53406 0.35127 -0.10137 0.04746 -0.09844 -0.03985 -0.07836 1 Br 1S 2S 3PX 3PY 3PZ 4PX 4PY 4PZ 5PX 5PY 5PZ 2 C 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 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 H 1S 2S 8 H 1S 2S 9 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 1 Br 1S|2S|3PX|3PY|3PZ|4PX|4PY|4PZ|5PX|5PY|5PZ|2 C 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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 H 1S|2S|8 H 1S|2S|9 H 1S|2S 1.21490 0.81933 0.87989 1.38655 1.38655 0.13131 0.51009 0.51009 0.01319 0.01282 0.01282 1.17416 0.81442 0.72629 0.71252 0.85281 0.94762 0.94763 0.14172 0.21581 0.21582 1.17455 0.81402 0.75592 0.32628 0.94850 0.78179 0.78179 -0.05965 0.20568 0.20567 1.17432 0.81400 0.74173 0.27149 0.94356 0.83868 0.83868 0.06152 0.18861 0.18861 1.17436 0.81407 0.74709 0.23164 0.94399 0.82819 0.82819 -0.13890 0.13544 0.13543 1.17433 0.81430 0.70460 0.76371 0.87218 0.84467 0.84467 -0.15124 0.28926 0.28926 0.50274 0.24150 0.50274 0.24149 0.50273 0.24150 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 Br C C C C C H H H 0.122491 -0.748806 0.065457 -0.061203 0.300492 -0.445746 0.255768 0.255775 0.255772 0.00000 -6.19613843e-01 -4.48609361e-04 9.56552121e-05 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.5749 -0.0011 0.0002 1.5749 -26.6605 -44.3903 -44.3901 -0.0019 -0.0003 0.0001 11.8198 -5.9100 -5.9098 -0.0019 -0.0003 0.0001 -87.0886 0.7606 0.5102 -31.3943 -0.0124 0.0027 -31.3947 -0.7377 -0.5123 -0.0003 -1699.6894 -59.5072 -59.5053 -0.0119 0.0068 -2.8190 0.0008 -1.9808 -0.0005 -352.8228 -352.8224 -19.8348 0.0007 1.9882 2.9074 0 -205.2973826 3.435E-9 2.442E-4 8.7877389,-4.3939545,-4.3937845,-0.0013827,-0.0002506,0.0000764 C01 [X(C5H3Br1)] -0.6196138 -0.0004486 0.0000957 @ -0.000586799 0.000007967 -0.000000774 0.000570659 0.000003394 -0.000004674 -0.000366997 0.000008771 0.000003420 0.000377453 0.000005411 -0.000001688 -0.000404548 -0.000020364 0.000002217 0.000687325 -0.000000487 -0.000000671 -0.000094536 -0.000005263 0.000002521 -0.000093031 -0.000004320 0.000002247 -0.000089526 0.000004889 -0.000002599 139.95749999999998 AuxInfo=1/0/N:2,3,4,5,6,1/CRV:2.2,3.2,4.2,5.2/rA:9BrCC2C2C2C2HHH/rB:;s2;s3;s4;s1s5;s2;s2;s2;/rC:;;;;;;;;; Gaussian 09 GINC-KIMIK2019 CBGUSER 000142420 EM64L-G09RevD.01 17-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 21 C1[X(C5H3Br)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 139.95749999999998 0 1 AuxInfo=1/0/N:2,3,4,5,6,1/CRV:2.2,3.2,4.2,5.2/rA:9BrCC2C2C2C2HHH/rB:;s2;s3;s4;s1s5;s2;s2;s2;/rC:;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-7889.inp" -scrdir="/scratch/" chk=000142420-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 000142420 1 2 3 4 5 6 7 8 9 79 12 12 12 12 12 1 1 1 78.9183361 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 3 0 0 0 0 0 1 1 1 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| 0.000646 0.000235 0.002125 0.000745 0.000450 0.000300 0.001800 0.001200 NO YES NO YES -1.087773e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 145.8297828044 67 151 67 20 20 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 9 9 9 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 139.95749999999998 AuxInfo=1/0/N:2,3,4,5,6,1/CRV:2.2,3.2,4.2,5.2/rA:9BrCC2C2C2C2HHH/rB:;s2;s3;s4;s1s5;s2;s2;s2;/rC:;;;;;;;;; 0.000000 7.153301 0.000000 5.687583 1.465718 0.000000 4.446441 2.706860 1.241142 0.000000 3.074675 4.078626 2.612908 1.371766 0.000000 1.834674 5.318627 3.852909 2.611767 1.240001 0.000000 7.620785 1.105869 2.129832 3.271340 4.593481 5.808414 0.000000 7.620811 1.105864 2.129882 3.271356 4.593487 5.808422 1.787502 0.000000 7.621157 1.105880 2.129855 3.271275 4.593450 5.808540 1.787457 1.787430 0.000000 C5H3Br C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 139.95749999999998 AuxInfo=1/0/N:2,3,4,5,6,1/CRV:2.2,3.2,4.2,5.2/rA:9BrCC2C2C2C2HHH/rB:;s2;s3;s4;s1s5;s2;s2;s2;/rC:;;;;;;;;; 156.9477213 0.5166919 0.5166919 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= 861 NPrTT= 4306 LenC2= 840 LenP2D= 3244. LDataN: DoStor=T MaxTD1= 5 Len= 102 NBasis= 67 RedAO= T EigKep= 1.99D-03 NBF= 67 NBsUse= 67 1.00D-06 EigRej= -1.00D+00 NBFU= 67 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= 66 66 66 66 66 MxSgAt= 9 MxSgA2= 9. 1 Closed 1 1 1 -205.169486520946 -205.199074333515 -0.029587812568 -205.242537354679 -0.043463021165 -205.065667310382 0.176870044297 -205.281951483102 -0.216284172720 -205.295925578619 -0.013974095517 -205.297333642741 -0.001408064122 -205.297375886926 -0.000042244185 -205.297377105087 -0.000001218161 -205.297377166964 -0.000000061877 -205.297377174765 -0.000000007802 -205.297377174817 -0.000000000051 -205.297377174826 -0.000000000009 -205.297377175 13 1.952802468002e+02 -7.628873806946e+02 2.164799739151e+02 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=3514784. IVT= 32947 IEndB= 32947 NGot= 939524096 MDV= 936895369 LenX= 936895369 LenY= 936890439 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= 2278 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Using compressed storage, NAtomX= 9. Will process 10 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111 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= 939523935 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=3483101. 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= 2278 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 30 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 28 vectors produced by pass 0 Test12= 3.13D-15 3.33D-09 XBig12= 4.48D+02 1.35D+01. AX will form 28 AO Fock derivatives at one time. 27 vectors produced by pass 1 Test12= 3.13D-15 3.33D-09 XBig12= 2.49D+02 5.71D+00. 27 vectors produced by pass 2 Test12= 3.13D-15 3.33D-09 XBig12= 2.05D+00 7.71D-01. 26 vectors produced by pass 3 Test12= 3.13D-15 3.33D-09 XBig12= 5.05D-03 1.93D-02. 20 vectors produced by pass 4 Test12= 3.13D-15 3.33D-09 XBig12= 1.00D-06 1.81D-04. 7 vectors produced by pass 5 Test12= 3.13D-15 3.33D-09 XBig12= 1.02D-10 2.62D-06. 1 vectors produced by pass 6 Test12= 3.13D-15 3.33D-09 XBig12= 4.98D-14 5.07D-08. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 136 with 30 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 76.19 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 144.948 -20.010 32.313 -51.058 8.800 51.321 328.237 -50.016 46.732 -127.638 22.003 94.262 (Enter /mnt/data/applications/G09/g09/l716.exe) PT86.800S 2017-07-17T21:18:19.000+02:00 -9.95740 -9.93951 -9.93220 -9.92943 -9.92769 -0.80587 -0.73190 -0.69852 -0.64610 -0.54926 -0.45384 -0.42444 -0.39560 -0.39558 -0.33437 -0.33437 -0.28793 -0.28792 -0.21301 -0.21301 -0.06153 -0.04934 -0.04934 0.04491 0.04948 0.04948 0.07190 0.10640 0.10640 0.12451 0.16370 0.18685 0.18687 0.19324 0.23441 0.23441 0.23614 0.27065 0.29143 0.29143 0.33589 0.35454 0.35455 0.44072 0.44073 0.47898 0.47899 0.51401 0.54391 0.58564 0.58565 0.69238 0.78469 0.86744 0.91535 1.03051 1.03055 1.07244 1.09467 1.17890 1.24700 8.54258 22.24431 22.52419 22.60698 22.76359 22.83110 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 Br C C C C C H H H 0.122513 -0.748788 0.065430 -0.061190 0.300492 -0.445763 0.255765 0.255774 0.255767 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 Br C C C C C 0.122513 0.018518 0.065430 -0.061190 0.300492 -0.445763 0.00000 -5.59951476e-01 9.66291103e-02 2.46842496e-01 1.44948436e+02 -2.00098824e+01 3.23133102e+01 -5.10578815e+01 8.80031570e+00 5.13207198e+01 -11.7214 -0.0007 -0.0005 -0.0001 3.8010 4.4693 81.9946 82.3895 214.4296 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 81.9938 82.3860 214.4295 214.6559 332.4714 332.6293 346.9880 483.1683 483.2690 793.2115 1024.9496 1025.1149 1238.7516 1399.4261 1455.4932 1455.5552 2163.0159 2299.2134 2972.6815 3062.4863 3062.6584 5.5693 5.5910 5.9460 5.9455 6.1109 6.0954 9.3187 10.6993 10.7022 6.1315 1.3890 1.3886 7.4045 1.2343 1.0408 1.0408 11.8736 11.8737 1.0348 1.0983 1.0983 0.0221 0.0224 0.1611 0.1614 0.3980 0.3974 0.6611 1.4716 1.4727 2.2730 0.8597 0.8597 6.6944 1.4242 1.2991 1.2991 32.7306 36.9825 5.3878 6.0689 6.0696 5.4646 5.4495 0.0073 0.0075 10.0712 10.0813 2.4041 0.9390 0.9408 13.2970 5.9555 5.9566 1.8265 0.0552 15.3714 15.3763 30.3671 0.0130 30.7276 10.1619 10.1608 35 6 6 6 6 6 1 1 1 0.03 0.03 0.07 0.13 0.11 0.26 -0.02 -0.02 -0.04 -0.12 -0.10 -0.23 -0.15 -0.12 -0.29 -0.12 -0.10 -0.23 0.25 0.13 0.31 0.34 0.12 0.27 -0.06 0.19 0.45 0.00 0.07 -0.03 0.00 0.29 -0.12 0.00 -0.04 0.02 0.00 -0.25 0.11 0.00 -0.32 0.13 0.00 -0.26 0.11 -0.24 0.42 -0.06 0.17 0.35 -0.23 0.05 0.38 -0.19 0.02 0.01 0.03 -0.07 -0.06 -0.13 0.14 0.13 0.26 0.10 0.10 0.20 -0.03 -0.03 -0.05 -0.21 -0.19 -0.41 -0.23 -0.11 -0.22 -0.40 -0.08 -0.15 0.22 -0.19 -0.42 0.00 0.03 -0.02 0.00 -0.15 0.07 -0.01 0.29 -0.13 -0.01 0.22 -0.10 0.00 -0.06 0.03 0.01 -0.45 0.21 0.37 -0.35 -0.02 -0.25 -0.25 0.25 -0.09 -0.27 0.18 0.00 0.00 -0.01 -0.03 -0.01 -0.06 0.18 0.07 0.38 -0.09 -0.04 -0.19 -0.15 -0.06 -0.31 0.14 0.05 0.29 -0.31 -0.01 -0.14 -0.34 0.00 -0.13 0.32 -0.12 -0.42 0.00 -0.01 0.00 0.00 -0.06 0.01 0.03 0.42 -0.09 -0.02 -0.21 0.05 -0.03 -0.34 0.07 0.02 0.32 -0.07 0.36 -0.31 -0.11 -0.38 -0.19 0.22 -0.03 -0.25 0.06 0.20 -0.03 -0.09 -0.38 0.07 0.17 -0.31 0.05 0.14 -0.27 0.05 0.12 -0.16 0.03 0.07 -0.09 0.02 0.04 -0.38 0.06 0.17 -0.38 0.07 0.17 -0.38 0.07 0.17 0.00 0.00 0.00 0.00 -0.01 0.01 0.03 -0.21 0.16 -0.08 0.52 -0.38 0.07 -0.47 0.35 -0.02 0.16 -0.12 -0.24 0.11 0.05 0.11 0.05 -0.11 0.10 0.05 -0.10 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.11 -0.15 -0.18 0.27 0.38 0.45 -0.24 -0.35 -0.42 0.08 0.11 0.14 0.04 0.05 0.06 0.23 0.02 -0.02 -0.17 0.09 0.15 0.05 -0.01 -0.02 0.38 -0.06 -0.17 -0.01 0.00 0.00 -0.14 0.02 0.06 -0.32 0.06 0.14 -0.32 0.05 0.14 0.39 -0.07 -0.17 0.39 -0.07 -0.17 0.39 -0.07 -0.17 0.00 0.00 0.00 -0.07 -0.07 -0.12 0.04 0.05 0.08 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.16 0.19 0.59 -0.07 0.01 -0.54 0.23 0.37 0.00 0.00 0.00 0.01 -0.14 0.07 -0.01 0.09 -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.63 0.26 0.23 0.36 0.11 -0.38 0.22 0.27 -0.20 0.02 0.00 -0.01 -0.24 0.04 0.10 0.38 -0.06 -0.17 0.35 -0.06 -0.16 -0.20 0.03 0.09 -0.33 0.06 0.15 -0.34 0.08 0.13 -0.35 0.03 0.14 -0.32 0.06 0.18 0.00 0.00 0.00 0.13 -0.02 -0.06 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.50 0.27 0.06 -0.54 -0.13 0.14 -0.37 0.11 0.42 0.00 0.00 0.00 -0.02 -0.04 -0.03 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.38 0.46 -0.30 -0.17 0.29 0.24 0.40 -0.31 0.00 0.00 0.00 -0.01 0.03 -0.04 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.27 0.15 0.33 -0.22 0.55 0.13 -0.57 -0.10 0.01 0.00 0.00 0.07 -0.01 -0.03 -0.44 0.08 0.19 0.32 -0.05 -0.14 0.49 -0.08 -0.22 -0.52 0.09 0.23 0.06 -0.01 -0.03 0.06 -0.02 -0.03 0.06 -0.01 -0.02 0.00 0.00 0.00 0.06 -0.01 -0.03 -0.45 0.08 0.20 0.56 -0.10 -0.25 -0.45 0.08 0.20 0.30 -0.05 -0.13 0.06 -0.03 -0.01 0.06 0.01 -0.02 0.04 -0.01 -0.04 0.00 0.00 0.00 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 -0.40 0.41 -0.02 0.53 0.23 -0.40 -0.04 -0.41 0.00 0.00 0.00 0.03 -0.04 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.50 -0.51 0.01 0.03 0.04 -0.49 -0.06 -0.47 0.00 0.00 0.00 0.03 0.08 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.23 0.28 0.05 -0.74 -0.34 -0.32 0.00 -0.31 298.150 1.00000 1 2 3 4 5 6 7 8 9 35 6 6 6 6 6 1 1 1 78.91834 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 141.94181 11.49900 3492.87666 3492.87714 0.90418 -0.00784 0.42709 -0.15587 0.92483 0.34698 -0.3977 -0.3803 0.83499 asymmetric 1 7.53229 0.02480 0.02480 156.94772 0.51669 0.51669 146689.4 117.97 118.53 308.52 308.84 478.35 478.58 499.24 695.17 695.32 1141.25 1474.67 1474.91 1782.29 2013.46 2094.13 2094.22 3112.09 3308.05 4277.02 4406.23 4406.48 0.055871 0.063100 0.064045 0.023928 -205.241506 -205.234277 -205.233333 -205.273449 39.596 22.735 84.432 0.000 0.000 0.000 0.889 2.981 40.762 0.889 2.981 26.442 37.819 16.773 17.228 1 0.600 1.961 3.843 2 0.600 1.961 3.833 3 0.644 1.819 2.006 4 0.645 1.819 2.004 5 0.714 1.611 1.248 6 0.715 1.610 1.247 7 0.725 1.581 1.180 8 0.839 1.287 0.702 9 0.839 1.287 0.701 0.985928e-11 -11.006155 -25.342608 0.492813e+15 14.692682 33.831150 0.110628e-23 -23.956135 -55.161039 1 0.251091e+01 0.399831 0.920646 2 0.249880e+01 0.397732 0.915812 3 0.924595e+00 -0.034048 -0.078399 4 0.923535e+00 -0.034547 -0.079547 5 0.561136e+00 -0.250932 -0.577792 6 0.560815e+00 -0.251181 -0.578365 7 0.532754e+00 -0.273474 -0.629696 8 0.345204e+00 -0.461924 -1.063620 9 0.345102e+00 -0.462053 -1.063915 0.552970e+02 1.742701 4.012718 1 0.306021e+01 0.485751 1.118484 2 0.304834e+01 0.484063 1.114596 3 0.155113e+01 0.190648 0.438984 4 0.155020e+01 0.190387 0.438383 5 0.125158e+01 0.097459 0.224407 6 0.125134e+01 0.097376 0.224216 7 0.123063e+01 0.090129 0.207530 8 0.110759e+01 0.044379 0.102187 9 0.110753e+01 0.044356 0.102134 0.100000e+01 0.000000 0.000000 0.664692e+08 7.822621 18.012250 0.134079e+06 5.127360 11.806182 000142420 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -1.4233 0.2456 0.6274 1.5747 -26.2369 -43.8503 -40.8770 -3.1300 -7.9860 1.3769 10.7511 -6.8622 -3.8889 -3.1300 -7.9860 1.3769 28.2546 -14.1881 -33.4641 27.3212 5.0509 12.6317 17.1726 -3.3966 -11.1251 -4.4204 -1326.0393 -106.6740 -367.0234 76.8520 199.9003 138.4045 -58.6812 329.1260 -59.5068 -293.1012 -271.5453 -76.1483 7.6194 112.3486 36.1051 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -205.2973772 5.908E-9 2.353E-4 0.055871 0.0631004 C01 [X(C5H3Br1)] -0.6195271 -0.0004393 0.000097 -0.5457742 0.0001987 -0.0000213 0.0005981 0.1797193 0.0000052 -0.0000373 0.0000039 0.1797081 -0.0584609 -0.0000016 -0.0000102 -0.0000552 0.0786743 -0.0000072 0.0001614 -0.0000178 0.078651 0.2884802 0.0001575 -0.0000409 0.0000796 -0.1236344 -0.0000027 -0.0000718 -0.0000045 -0.1236028 -0.1398462 -0.0001206 0.0000165 -0.0003119 -0.0642681 -0.0000054 0.0001029 -0.000007 -0.0642726 -0.0615691 0.0003152 -0.0000623 0.0007077 0.1099557 0.0000068 -0.0001284 0.0000066 0.1099623 0.6405209 -0.000539 0.0000966 -0.0010242 -0.2960204 -0.0000073 0.0000908 -0.0000048 -0.2960127 -0.0410476 -0.0369967 -0.0417558 -0.0649579 0.0505819 -0.0986519 -0.0733092 -0.0986706 0.026461 -0.0410824 -0.0177213 0.0529353 -0.0310919 0.1179485 0.0597863 0.0927852 0.0598051 -0.040885 -0.0412205 0.054708 -0.0111579 0.0960557 -0.0529569 0.0388763 -0.0195936 0.038889 0.1299908 170.8544725|-0.0148997|28.8638611|0.0024867|0.0006516|28.8641326 0.24762620 -0.00019121 0.00465268 -0.00004086 0.00000891 0.00461804 0.00040360 -0.00000020 0.00000011 0.50011622 0.00000004 -0.00023909 0.00000017 0.00002155 0.51224583 0.00000035 0.00000026 -0.00023871 -0.00001299 -0.00000987 0.51230729 -0.00238277 -0.00000029 0.00000006 -0.28798457 -0.00004804 0.00003525 1.30282719 0.00000018 0.00021175 -0.00000004 -0.00004323 -0.05727557 0.00000002 0.00031420 0.07946096 -0.00000030 -0.00000003 0.00021152 0.00003342 -0.00001130 -0.05728462 -0.00012117 0.00000031 0.07949107 0.00590347 -0.00000045 -0.00000003 -0.00640520 -0.00000800 -0.00000124 -0.91154060 -0.00024949 0.00007924 1.37743486 0.00000041 0.00348034 -0.00000023 0.00000108 0.00335641 -0.00000026 -0.00025149 -0.02967425 0.00000562 0.00030131 0.05779807 0.00000016 -0.00000023 0.00348030 -0.00000025 0.00000004 0.00335506 0.00007763 0.00000564 -0.02967151 -0.00009257 -0.00001495 0.05779054 -0.00519650 -0.00000057 0.00000183 0.00882652 0.00000145 0.00000020 -0.06530203 -0.00001536 0.00000274 -0.40426813 -0.00005627 0.00001439 1.37572964 0.00001103 -0.00029865 0.00000020 0.00000144 0.00541460 0.00000056 -0.00001347 0.00110319 0.00000008 -0.00003860 -0.03845473 0.00000916 -0.00016344 0.05522715 -0.00000063 0.00000018 -0.00029820 0.00000028 0.00000045 0.00541770 0.00000047 0.00000018 0.00110297 0.00001378 0.00000914 -0.03844638 -0.00000922 -0.00001506 0.05521906 -0.24518602 0.00019197 0.00003892 -0.00308830 -0.00000120 -0.00000125 0.03167383 0.00001007 -0.00000058 -0.06638152 0.00000294 0.00000038 -0.90626503 0.00020247 -0.00000458 1.18774355 0.00017992 -0.00779043 -0.00000890 -0.00000039 0.00017807 -0.00000074 -0.00000257 0.00121412 0. -0.00000481 0.00348840 0.00000060 0.00023509 -0.02301287 0.00000564 -0.00040624 0.02594465 0.00004147 -0.00000891 -0.00775618 -0.00000021 -0.00000062 0.00017598 0.00000056 0.00000002 0.00121510 0.00000148 0.00000060 0.00348875 -0.00000945 0.00000562 -0.02301367 -0.00003390 0.00000283 0.02591099 -0.00038898 -0.00006185 -0.00007014 -0.07063203 -0.05609926 -0.06335092 -0.02242161 -0.01992361 -0.02248650 0.00175157 0.00009087 0.00010146 -0.00117359 0.00085104 0.00096181 0.00050036 0.00004344 0.00004917 0.08492417 -0.00006203 -0.00000648 0.00000734 -0.05407134 -0.14079871 -0.11253164 -0.00078273 0.00134935 0.00246336 0.00196008 0.00004936 -0.00039275 -0.00076871 0.00003248 -0.00020641 0.00034437 -0.00001452 0.00005840 0.06090202 0.15208815 -0.00006997 0.00000727 -0.00000466 -0.06102667 -0.11253344 -0.16830139 -0.00088892 0.00245492 0.00194356 0.00221373 -0.00039155 -0.00004735 -0.00086821 -0.00020718 -0.00001902 0.00038908 0.00005867 0.00000005 0.06875641 0.12352992 0.18227994 -0.00038940 -0.00002942 0.00008882 -0.07059498 -0.02682114 0.08023680 -0.02242780 -0.00953672 0.02849595 0.00175283 0.00004301 -0.00012734 -0.00117506 0.00040677 -0.00121805 0.00050104 0.00002055 -0.00006231 0.00372127 0.00304364 -0.01027832 0.08488594 -0.00002983 -0.00001144 -0.00000447 -0.02584317 -0.06401345 0.06821440 -0.00037773 -0.00032856 -0.00148869 0.00093865 0.00031773 0.00023806 -0.00036789 0.00017339 0.00012460 0.00016472 -0.00005441 -0.00003511 0.00682011 0.00484495 -0.01886075 0.02911265 0.06779294 0.00008859 -0.00000448 0.00000028 0.07729812 0.06820125 -0.24520153 0.00112557 -0.00148692 0.00362488 -0.00280492 0.00023742 -0.00031445 0.00109968 0.00012534 -0.00015999 -0.00049216 -0.00003530 0.00004001 0.00826652 0.00868022 -0.01911497 -0.08708991 -0.07487497 0.26667864 -0.00038962 0.00009202 -0.00001870 -0.07064127 0.08295461 -0.01690620 -0.02244166 0.02944397 -0.00600279 0.00175272 -0.00013186 0.00002614 -0.00117583 -0.00125725 0.00025614 0.00050210 -0.00006498 0.00001319 0.00371883 -0.01056529 0.00177287 0.00372616 -0.01041750 0.00250851 0.08494856 0.00009150 0.00000131 -0.00000298 0.07993427 -0.25886808 0.04432726 0.00116212 0.00393901 -0.00096934 -0.00289869 -0.00036134 0.00015444 0.00113570 -0.00018456 0.00008128 -0.00050910 0.00004700 -0.00002283 0.00737723 -0.01754456 0.00594213 0.00376065 -0.00872114 -0.00084256 -0.09005370 0.28169235 -0.00001881 -0.00000297 -0.00001238 -0.01629181 0.04435332 -0.05022978 -0.00022945 -0.00097414 -0.00063297 0.00059053 0.00015422 0.00036504 -0.00023195 0.00008128 0.00019752 0.00010410 -0.00002281 -0.00006103 0.00777219 -0.02160843 0.00326386 -0.01004562 0.02668692 -0.00555287 0.01835083 -0.04866740 0.05266260 0.00053484 -0.00000789 -0.00000613 -0.00055702 -0.00000277 0.00001423 0.00037636 -0.00001162 -0.00000386 -0.00038439 -0.00000453 -0.00000083 0.00040748 0.00002159 0.00000023 -0.00064607 -0.00000075 0.00000478 0.00009207 -0.00000124 -0.00000313 0.00009090 0.00000893 -0.00000408 0.00008583 -0.00000171 -0.00000121 -0.000534837 0.000007894 0.000006132 0.000557018 0.000002774 -0.000014232 -0.000376359 0.000011620 0.000003860 0.000384390 0.000004528 0.000000828 -0.000407481 -0.000021591 -0.000000232 0.000646071 0.000000748 -0.000004776 -0.000092069 0.000001245 0.000003131 -0.000090903 -0.000008927 0.000004082 -0.000085829 0.000001709 0.000001208 139.95749999999998 AuxInfo=1/0/N:2,3,4,5,6,1/CRV:2.2,3.2,4.2,5.2/rA:9BrCC2C2C2C2HHH/rB:;s2;s3;s4;s1s5;s2;s2;s2;/rC:;;;;;;;;;