Gaussian 09 GINC-KIMIK2073 CBGUSER 000144878 EM64L-G09RevD.01 21-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 64.04220000000001 0 1 AuxInfo=1/0/N:2,3,4,5,1/CRV:2.3,3.2,4.2,5.1/rA:9O1CC3C2C2HHHH/rB:;s2;s3;s1s4;s2;s2;s2;s3;/rC:;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-414.inp" -scrdir="/scratch/" chk=000144878.chk nprocshared=4 mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000144878 1 2 3 4 5 6 7 8 9 16 12 12 12 12 1 1 1 1 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 1 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 3 4 5 3 6 7 8 4 9 5 1.176 1.4922 1.0942 1.0943 1.0946 1.3014 1.0863 1.2004 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 3 3 3 6 6 7 2 2 4 2 2 2 2 2 2 3 3 3 6 7 8 7 8 8 4 9 9 109.9682 109.9703 111.9389 108.2888 108.2891 108.2905 124.9529 116.7387 118.3084 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A10 A11 A12 A13 3 1 3 1 4 5 4 5 5 4 5 4 8 8 8 8 -1 -1 -2 -2 180.0459 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 179.987 180.0 180.0 D1 D2 D3 D4 D5 D6 6 6 7 7 8 8 2 2 2 2 2 2 3 3 3 3 3 3 4 9 4 9 4 9 -120.4402 59.5716 120.3983 -59.5899 -0.0226 179.9892 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 37 100 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= 741 NPrTT= 3858 LenC2= 724 LenP2D= 2949. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 58 RedAO= T EigKep= 2.11D-03 NBF= 58 NBsUse= 58 1.00D-06 EigRej= -1.00D+00 NBFU= 58 Using GEDIIS/GDIIS optimizer. local minimum Step number 14 out of a maximum of 37 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00841 0.00869 0.02429 0.04730 0.04796 0.06906 0.07184 0.10513 0.15731 0.15909 0.16168 0.16504 0.22615 0.33733 0.34003 0.34331 0.34942 0.39353 0.64265 0.75367 1.03973 RFO step: Lambda=-3.14109425D-07. 1 2 3 0.00115770 0.00000122 0.00000000 0.00000072 0.00000013 0.00000013 R1 R2 R3 R4 R5 R6 R7 R8 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 D1 D2 D3 D4 D5 D6 2.31026 2.84890 2.09517 2.09516 2.07859 2.55247 2.09155 2.45233 1.92145 1.92152 1.95180 1.85117 1.90753 1.90759 2.18442 2.01149 2.08727 3.47627 3.02552 3.14147 3.14154 -2.12396 1.01782 2.12440 -1.01701 0.00016 -3.14125 0.00047 0.00005 0.00001 0.00001 -0.00002 0.00017 0.00002 0.00012 0.00002 0.00001 -0.00003 0.00001 0.00000 0.00000 0.00004 -0.00003 -0.00001 -0.00003 -0.00002 0.00000 0.00000 0.00002 0.00001 -0.00001 -0.00002 0.00000 0.00000 0.00035 0.00009 -0.00002 -0.00002 0.00015 0.00031 0.00010 -0.00023 0.00016 0.00015 -0.00018 0.00034 -0.00023 -0.00022 0.00013 0.00002 -0.00015 -0.00175 0.00100 -0.00001 0.00000 0.00048 0.00016 -0.00012 -0.00044 0.00018 -0.00014 0.00025 0.00009 0.00005 0.00005 -0.00018 -0.00008 -0.00002 0.00010 -0.00002 -0.00003 -0.00009 -0.00011 0.00013 0.00012 0.00011 -0.00011 0.00001 -0.00063 -0.00056 0.00009 0.00004 -0.00022 -0.00008 -0.00005 0.00008 -0.00012 0.00001 0.00060 0.00018 0.00003 0.00003 -0.00003 0.00023 0.00007 -0.00013 0.00014 0.00012 -0.00027 0.00023 -0.00010 -0.00010 0.00024 -0.00009 -0.00015 -0.00238 0.00044 0.00008 0.00004 0.00026 0.00008 -0.00017 -0.00036 0.00005 -0.00013 2.31086 2.84908 2.09520 2.09519 2.07856 2.55270 2.09163 2.45220 1.92159 1.92164 1.95153 1.85140 1.90744 1.90749 2.18467 2.01139 2.08713 3.47389 3.02596 3.14155 3.14158 -2.12369 1.01790 2.12422 -1.01737 0.00022 -3.14138 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000470 0.000101 0.003275 0.001158 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -2.126327e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 1 2 2 2 2 3 3 4 5 3 6 7 8 4 9 5 1.2225 1.5076 1.1087 1.1087 1.0999 1.3507 1.1068 1.2977 -DE/DX = 0.0005|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = 0.0001 A1 A2 A3 A4 A5 A6 A7 A8 A9 3 3 3 6 6 7 2 2 4 2 2 2 2 2 2 3 3 3 6 7 8 7 8 8 4 9 9 110.0913 110.0949 111.8298 106.0642 109.2936 109.2968 125.1583 115.2498 119.592 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A10 A11 A12 3 1 3 4 5 4 5 4 5 8 8 8 -1 -1 -2 199.1757 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 173.3494 179.993 D1 D2 D3 D4 D5 6 6 7 7 8 2 2 2 2 2 3 3 3 3 3 4 9 4 9 4 -121.6937 58.3168 121.719 -58.2706 0.0093 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 64.04220000000001 AuxInfo=1/0/N:2,3,4,5,1/CRV:2.3,3.2,4.2,5.1/rA:9O1CC3C2C2HHHH/rB:;s2;s3;s1s4;s2;s2;s2;s3;/rC:;;;;;;;;; 0.000000 4.695185 0.000000 3.677768 1.492197 0.000000 2.376373 2.478985 1.301396 0.000000 1.176008 3.572847 2.501760 1.200365 0.000000 5.391981 1.094249 2.130553 3.182259 4.276202 0.000000 5.391666 1.094287 2.130609 3.182094 4.275941 1.773800 0.000000 4.479794 1.094640 2.155328 2.647244 3.492005 1.774089 1.774135 0.000000 4.300229 2.205738 1.086286 2.052910 3.164566 2.555879 2.556039 3.107074 0.000000 34.7400456 2.3455672 2.2279314 -1.01830 -0.75970 -0.69163 -0.60384 -0.46741 -0.41512 -0.40648 -0.40597 -0.38897 -0.37296 -0.34999 -0.26715 -0.19122 -0.11974 0.05647 0.09941 0.10563 0.11938 0.12831 0.14446 0.15493 0.18943 0.22771 0.22925 0.25724 0.26848 0.27016 0.30245 0.34604 0.35284 0.39284 0.43568 0.44749 0.46846 0.51866 0.62154 0.74624 0.79362 0.84108 0.86274 0.95653 0.99080 1.05581 1.05843 1.10248 1.19263 1.28518 1.64994 22.26912 22.57300 22.64035 22.79910 41.49735 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 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 -18.80010 -9.98780 -9.96020 -9.91083 -9.89945 -1.01830 -0.75970 -0.69163 -0.60384 -0.46741 -0.41512 -0.40648 -0.40597 -0.38897 -0.37296 -0.34999 -0.26715 -0.19122 -0.11974 0.05647 0.09941 0.10563 0.11938 0.12831 0.14446 0.15493 0.18943 0.22771 0.22925 0.25724 0.26848 0.27016 0.30245 0.34604 0.35284 0.39284 0.43568 0.44749 0.46846 0.51866 0.62154 0.74624 0.79362 0.84108 0.86274 0.95653 0.99080 1.05581 1.05843 1.10248 1.19263 1.28518 1.64994 22.26912 22.57300 22.64035 22.79910 41.49735 0.58053 -0.00011 0.00000 0.00000 0.00001 -0.12316 0.01449 -0.02299 0.01546 -0.01379 -0.06599 0.00003 -0.02452 0.00000 -0.00180 0.00148 0.00000 0.00011 0.00000 0.00670 -0.00129 0.03020 0.00002 0.04009 0.00371 -0.00001 -0.02490 -0.00001 -0.00937 0.00913 0.01549 0.00004 0.00962 -0.00001 0.00597 0.00973 0.02435 -0.02779 0.00000 -0.02002 0.02044 -0.01939 0.00000 -0.00106 -0.00654 0.00463 0.00789 0.00000 0.00695 0.00384 0.03542 -0.00213 -0.14813 -0.00665 0.00594 0.00663 0.00474 -1.73061 0.45928 -0.00004 -0.00002 -0.00001 0.00002 -0.16402 0.01950 -0.03102 0.02089 -0.01855 -0.08839 0.00004 -0.03278 0.00000 -0.00237 0.00191 0.00000 0.00015 0.00000 0.00923 -0.00155 0.04110 0.00003 0.05449 0.00527 -0.00001 -0.03290 -0.00002 -0.01180 0.01183 0.02104 0.00006 0.01482 -0.00001 0.00845 0.01023 0.03266 -0.03599 0.00000 -0.02706 0.02704 -0.03005 0.00000 -0.00154 -0.00965 0.00594 0.01161 0.00000 0.01220 0.00504 0.05313 -0.00304 -0.24921 0.00194 -0.00163 -0.00190 -0.00147 1.88713 0.00880 -0.00038 0.00020 0.00013 -0.00005 0.48184 -0.06179 0.09952 -0.06726 0.05669 0.25985 -0.00010 0.09492 0.00000 0.00607 -0.00410 0.00000 -0.00054 0.00000 -0.03165 0.00006 -0.12666 -0.00010 -0.16429 -0.02214 0.00002 0.07626 0.00003 0.01378 -0.02334 -0.06038 -0.00017 -0.07663 0.00005 -0.03273 0.03741 -0.08250 0.06089 0.00001 0.07258 -0.05589 0.18281 0.00001 0.00717 0.04873 -0.01185 -0.06273 0.00002 -0.10650 -0.01409 -0.30598 0.01322 2.21046 0.00768 -0.01840 -0.01917 -0.01401 -0.46508 -0.00717 0.00153 -0.00135 -0.00070 -0.00081 0.30212 -0.00326 0.01733 -0.02771 0.06308 0.36642 -0.00016 0.14466 0.00000 0.01573 -0.01482 0.00000 0.00117 0.00000 -0.05332 0.06331 -0.43506 -0.00044 -0.66950 -0.00187 0.00017 0.63486 0.00046 0.32418 -0.25254 -0.34219 -0.00099 -0.00811 0.00010 -0.11604 -0.72202 -0.66534 0.97596 -0.00019 0.43896 -0.17722 0.28737 0.00001 -0.00128 0.06473 0.20011 0.10993 0.00012 -0.18012 -0.15112 -0.33048 -0.00272 -4.51578 0.03393 0.06220 0.07490 0.07749 0.56646 -0.00193 0.00056 0.00002 -0.00002 0.00004 -0.22760 0.00748 -0.00108 -0.01355 0.05322 0.52492 -0.00020 0.17427 -0.00001 0.12081 -0.00847 0.00001 -0.09729 -0.00001 0.08880 0.02186 0.08919 0.00010 0.17602 -0.01407 -0.00002 -0.10607 -0.00003 -0.00149 -0.02583 0.07999 0.00021 0.36318 -0.00010 0.03604 -0.32293 0.03542 0.15670 -0.00008 -0.06658 -0.12061 -0.56622 -0.00004 0.15924 -0.11811 0.30697 0.40716 0.00001 -0.27010 0.18644 0.28922 0.04847 0.11969 -0.03116 0.01844 0.02053 0.01768 0.00478 0.00039 -0.00008 0.00000 -0.00001 0.00001 0.04730 -0.00153 -0.00024 0.00049 -0.04222 -0.04068 0.00021 -0.23331 -0.00001 0.45523 0.11040 0.00004 -0.46505 -0.00004 0.31543 0.06977 -0.16379 -0.00009 -0.02564 -0.00874 0.00004 -0.07538 0.00005 0.02119 0.08852 -0.09874 -0.00029 -0.01863 -0.00008 0.05660 0.13040 -0.04492 0.08105 -0.00004 -0.26608 -0.10152 0.20078 -0.00010 0.74844 -0.26316 0.00487 -0.14680 0.00001 0.00823 -0.02193 -0.06357 0.05323 -0.03310 0.00523 -0.00238 -0.00396 -0.00340 -0.00062 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.30838 0.00033 0.38885 0.00004 0.00001 -0.38423 -0.00005 0.39292 0.00003 0.00010 -0.00007 0.32697 -0.00018 0.00020 0.00097 -0.00004 -0.03922 0.00006 -0.00001 -0.00017 0.04595 0.00002 0.12366 0.00016 -0.00001 0.00005 0.00007 0.19683 -0.00004 -0.00002 -0.00002 0.85071 0.00011 0.00001 0.00002 -0.00001 0.08252 0.00001 0.00002 0.00000 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00230 -0.00125 0.00058 0.00046 0.00183 0.00693 -0.02374 0.04710 -0.04334 0.03257 0.11481 -0.00002 0.01843 0.00000 0.02837 0.01144 0.00000 -0.05579 -0.00001 0.01999 0.03142 -0.01275 0.00012 0.18979 -0.09929 -0.00006 -0.18499 -0.00009 -0.01078 -0.07464 0.17111 0.00044 0.55766 -0.00023 0.14438 0.10697 0.58535 -0.70507 0.00011 -0.58018 1.06784 0.85975 0.00008 -0.41895 0.03660 -0.34303 -0.92275 -0.00010 0.53274 -0.30615 0.37213 -0.39471 1.05669 -0.02374 -0.03288 -0.03895 -0.10889 -0.11539 -0.00045 0.00001 -0.00017 0.00007 -0.00051 -0.00162 0.00353 -0.01014 0.00931 -0.01230 -0.00409 0.00006 -0.06647 0.00000 0.15372 0.03998 0.00002 -0.25021 -0.00003 0.26832 0.11092 -0.14879 -0.00011 -0.01823 -0.00289 0.00006 -0.04442 0.00006 0.00303 0.14801 -0.20017 -0.00058 -0.07254 0.00005 -0.03321 -0.03251 -0.13325 0.17037 -0.00004 0.05207 -0.13373 -0.32389 0.00020 -1.69112 0.64879 -0.14547 0.38159 0.00002 0.03838 0.01602 -0.07027 -0.19507 -0.18235 0.01203 -0.00440 0.00745 0.02035 0.02164 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.09740 0.00010 0.13410 0.00001 0.00001 -0.18012 -0.00003 0.24669 0.00002 0.00010 -0.00007 0.34288 -0.00018 0.00021 0.05281 -0.00005 -0.06187 0.00009 -0.00001 -0.00036 0.10663 0.00001 0.01911 0.00001 -0.00001 0.00002 0.00004 0.08098 -0.00002 0.00002 0.00003 -1.73803 -0.00026 -0.00003 -0.00006 0.00003 -0.25531 -0.00005 -0.00008 0.00000 -0.00010 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00007 0.00085 0.60037 0.00050 -0.00011 -0.05698 -0.07825 -0.07886 -0.01082 -0.00311 -0.00001 0.00610 0.00000 -0.00381 -0.00077 0.00000 -0.01737 0.00000 -0.05139 0.04481 -0.03291 0.00001 0.04558 0.00205 0.00001 -0.00424 0.00002 0.01891 -0.01554 0.00959 0.00003 0.00064 -0.00002 0.02015 0.02540 -0.04810 -0.00479 0.00001 -0.01115 0.00078 -0.01603 -0.00001 0.03568 0.12960 0.07131 -0.03801 -0.00002 0.00631 -0.01013 0.00963 0.02338 -0.00369 -0.37595 -1.53684 0.77372 -0.03741 -0.00103 -0.00001 0.00002 0.00072 0.43396 0.00043 -0.00008 -0.07151 -0.09860 -0.09990 -0.01381 -0.00382 -0.00001 0.00773 0.00000 -0.00493 -0.00112 0.00000 -0.02296 0.00000 -0.06676 0.05594 -0.04169 0.00001 0.06147 0.00346 0.00001 -0.00440 0.00002 0.02708 -0.02232 0.01360 0.00004 0.00085 -0.00004 0.02987 0.03629 -0.06598 -0.00830 0.00002 -0.01404 -0.00478 -0.02077 -0.00001 0.05787 0.21139 0.11408 -0.06236 -0.00003 -0.00209 -0.02802 0.01897 0.04629 -0.00705 0.40708 1.69211 -0.85462 0.04159 0.00193 0.00011 -0.00074 -0.00040 0.02015 -0.00069 -0.00097 0.19193 0.26777 0.28241 0.03800 0.00780 0.00002 -0.01857 0.00000 0.01433 0.00504 0.00000 0.07337 0.00001 0.15690 -0.05816 0.05910 -0.00007 -0.18109 -0.02808 -0.00001 -0.00831 -0.00012 -0.13634 0.10255 -0.06950 -0.00018 -0.01249 0.00024 -0.18229 -0.18376 0.24315 0.10091 -0.00012 0.00046 0.17448 0.07801 0.00011 -0.56519 -2.01038 -0.96060 0.58651 0.00012 0.36148 0.59350 -0.29328 -0.77750 0.10412 -0.07514 -0.48686 0.23496 -0.00693 -0.00826 -0.00034 0.00228 0.00384 -0.02403 0.00122 0.00548 0.16885 0.25265 0.22233 0.05434 0.04082 0.00007 -0.07049 0.00000 0.04856 -0.01554 0.00000 0.12997 0.00003 1.56770 -2.04980 1.63379 0.00015 -1.52986 -0.01693 -0.00062 0.31129 0.00008 0.16879 -0.04623 0.29455 0.00080 0.32530 -0.00049 0.11827 0.53978 0.98251 -0.41648 0.00025 2.12515 0.15834 -0.47510 -0.00040 2.94263 5.59059 2.09204 -1.55830 -0.00048 -1.20836 -1.79826 1.04593 3.96578 -0.23103 0.04567 0.86618 -0.50262 0.07298 0.01825 -0.00002 -0.00003 -0.00013 -0.00014 -0.00017 0.00106 0.05214 0.01916 -0.08960 0.07847 -0.15721 -0.00027 0.29074 -0.00005 0.27215 -0.24331 -0.00001 0.13823 0.00000 0.03633 -0.02303 -0.29175 0.00017 0.17316 -0.29115 0.00016 -0.35190 -0.00015 -0.08710 -0.23514 -0.32046 -0.00094 -0.24251 0.00021 -0.23883 -0.12854 0.63631 0.22451 -0.00025 0.40217 0.13897 0.00902 0.00004 0.25394 0.16801 0.09893 0.17817 -0.00040 0.25587 -0.10245 -0.00737 0.06340 -0.00451 0.00858 0.00742 0.00010 0.00379 0.00118 0.00004 -0.00017 -0.00002 0.00016 -0.00018 -0.00053 0.04424 0.03379 -0.05887 -0.23139 -0.04037 -0.00027 0.21660 0.00002 0.03433 0.40133 0.00001 0.08608 0.00002 0.07068 0.01265 -0.15230 -0.00021 0.11392 0.36925 -0.00008 0.14063 0.00064 0.50240 0.29810 0.13035 0.00039 0.02389 0.00085 -0.67586 -0.02844 0.39410 -0.03628 0.00003 0.00309 -0.07213 -0.05570 -0.00006 0.05805 0.10620 -0.06188 -0.20803 0.00020 -0.02497 0.37813 -0.00521 0.13511 0.03968 0.00999 -0.00249 -0.00362 0.00369 -0.00431 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00002 0.00002 0.34868 0.00034 -0.36855 0.00000 0.00007 -0.15751 -0.00001 -0.06030 0.00000 -0.00008 0.00009 -0.06621 -0.00003 0.00015 0.47815 -0.00002 -0.63667 0.00074 0.00001 0.00172 -0.59390 -0.00001 0.21063 0.00021 0.00002 -0.00002 0.00000 0.00568 -0.00007 -0.00003 -0.00002 0.03469 -0.00008 -0.00008 -0.00007 -0.00020 -0.52608 -0.00033 0.00014 -0.00007 0.00005 -0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00040 0.00201 0.00229 -0.00164 -0.00044 0.00862 -0.00278 0.01252 -0.02464 0.02931 -0.02743 -0.00006 0.06224 0.00000 0.07664 -0.08230 0.00000 0.06085 -0.00002 0.40028 -1.03205 -0.45344 0.00143 0.93532 -0.78713 0.00063 1.37268 -0.00051 -0.42213 1.00368 1.29477 0.00398 -0.63291 -0.00002 0.33375 0.07046 -0.50344 0.82496 -0.00074 0.40859 0.66229 -0.11075 0.00015 0.25284 0.17422 -0.21005 -0.20178 0.00093 -1.04585 0.17342 0.01565 1.49392 -0.27630 -0.07185 0.06449 -0.06037 0.08920 0.02453 0.00010 0.00120 0.00085 -0.00134 0.00305 -0.00812 0.00025 -0.01753 0.01195 -0.05871 0.01406 -0.00007 0.05736 -0.00001 0.00619 0.12011 0.00000 0.02921 0.00003 0.27453 -1.06297 -0.07966 -0.00051 0.34367 1.49352 -0.00114 -0.21262 -0.00084 -0.63646 -1.89965 -1.19526 -0.00375 0.52256 0.00063 -0.70941 0.88370 -0.98627 -0.11333 0.00108 -0.09007 0.36437 -0.28374 -0.00024 0.10331 0.00973 -0.05837 0.27907 -0.00047 -0.26312 -1.58900 0.45154 -0.12216 0.10198 -0.09459 0.06955 -0.02117 -0.06859 -0.00720 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00001 0.08658 0.00009 -0.09092 -0.00002 0.00003 -0.05188 -0.00001 -0.08287 -0.00008 -0.00028 0.00030 0.17892 -0.00015 0.00091 2.17301 -0.00048 0.87533 -0.00098 -0.00075 -0.00420 1.33961 0.00037 -0.59248 -0.00132 0.00023 -0.00045 -0.00028 -0.36143 -0.00077 -0.00018 -0.00004 -0.01037 -0.00031 0.00009 0.00008 0.00044 1.39040 0.00101 -0.00053 0.00029 -0.00079 0.00022 -0.00001 -0.00002 0.00002 -0.00006 -0.00001 0.00000 -0.00037 0.60036 -0.00086 -0.00439 -0.00071 -0.09412 -0.04096 0.07115 0.02426 0.01209 0.00002 -0.01837 0.00000 -0.00852 0.00276 0.00000 -0.00020 0.00001 -0.00226 -0.07029 -0.03946 0.00001 0.00723 0.01128 0.00000 -0.00657 0.00004 0.03008 0.01232 -0.01571 -0.00005 -0.02224 -0.00003 0.01508 -0.01905 0.06459 -0.02409 -0.00001 -0.00630 -0.04952 0.00161 0.00000 -0.03744 -0.05618 0.10412 -0.03579 0.00002 -0.01343 -0.03468 -0.04866 -0.02134 -0.01028 -0.98195 -0.43440 -1.31705 0.46444 -0.00163 -0.00001 -0.00008 0.43402 -0.00051 -0.00298 -0.00101 -0.11843 -0.05133 0.08984 0.03147 0.01570 0.00003 -0.02380 0.00000 -0.01114 0.00372 0.00001 -0.00042 0.00001 -0.00281 -0.09151 -0.05060 0.00001 0.01392 0.01541 -0.00001 -0.00581 0.00005 0.04516 0.01403 -0.02268 -0.00007 -0.03216 -0.00005 0.02752 -0.02471 0.08999 -0.03529 -0.00001 -0.00708 -0.08229 0.01275 0.00000 -0.06050 -0.08789 0.17301 -0.05474 0.00003 -0.02631 -0.05125 -0.07640 -0.04528 -0.01835 1.06654 0.47961 1.45889 -0.51777 0.00306 0.00017 -0.00199 0.01979 -0.00046 -0.00145 0.00528 0.33054 0.14352 -0.25322 -0.09958 -0.05209 -0.00009 0.07255 0.00000 0.03559 -0.01229 -0.00002 0.00361 -0.00002 0.00034 0.20828 0.10983 -0.00009 -0.17451 -0.05012 0.00001 -0.07661 -0.00033 -0.28666 0.03984 0.11214 0.00036 0.15849 0.00040 -0.28274 0.04487 -0.39206 0.18230 0.00007 -0.05723 0.77464 -0.43807 -0.00006 0.56861 0.80959 -1.73762 0.39836 -0.00032 0.39494 0.34790 0.71361 0.80906 0.28979 -0.21383 -0.16333 -0.46234 0.15138 -0.01810 -0.00271 0.01267 -0.02578 0.00185 0.00846 0.03589 0.22870 0.01255 -0.15458 -0.08554 -0.02389 -0.00008 0.08123 -0.00001 0.05239 -0.03223 -0.00002 0.01338 -0.00006 0.57262 2.44672 1.97333 0.00038 1.21499 0.06891 0.00043 1.33752 0.00129 0.95709 -0.85003 -0.42624 -0.00120 -1.05839 -0.00010 0.21519 -0.23521 -1.66433 2.50929 -0.00068 2.24591 -0.58216 4.24673 0.00042 -1.69592 -3.73743 6.62974 -0.94100 0.00142 -3.03070 -0.89741 -1.04819 -3.66831 -2.72842 0.16293 0.42854 1.11329 -0.29323 0.25160 -0.00011 -0.00019 0.00041 0.00006 -0.00033 0.00396 0.06823 -0.12799 -0.18945 0.33829 0.05814 0.00030 -0.28315 0.00002 -0.14389 0.09163 0.00002 -0.01646 0.00002 0.03673 -0.17993 -0.03092 0.00007 0.05850 -0.03647 -0.00005 -0.16954 -0.00041 -0.33785 0.15103 0.10185 0.00030 0.23118 0.00078 -0.60103 -0.21097 0.04532 0.17021 -0.00003 0.14709 -0.41237 0.84704 0.00001 -0.07552 0.14263 0.16801 0.04752 0.00001 -0.06735 0.20740 0.46011 0.06013 -0.10690 0.02840 -0.01436 -0.01222 0.01885 0.01163 0.00005 -0.00015 0.00001 0.00020 0.00000 -0.00109 -0.04409 -0.03797 -0.09465 -0.31675 0.13858 0.00024 -0.24970 0.00002 -0.17438 -0.25243 -0.00005 -0.08657 -0.00006 0.19174 0.15312 0.01605 0.00000 0.06641 0.11043 0.00005 0.51287 -0.00040 -0.38283 -0.16725 -0.15389 -0.00046 -0.20402 0.00027 -0.19127 -0.27000 0.65320 -0.15872 -0.00014 -0.14959 -0.16669 -0.14227 -0.00002 0.17783 0.31875 -0.25034 0.03765 0.00003 -0.12145 -0.07424 -0.06904 -0.27641 0.04166 -0.00557 -0.00837 -0.00216 -0.00505 -0.00474 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00005 0.00002 0.21158 0.00020 -0.09010 -0.00001 -0.00003 0.40758 -0.00001 0.54600 0.00002 -0.00001 0.00004 -0.28332 0.00018 -0.00023 -0.03866 0.00013 -0.34762 0.00034 0.00007 -0.00071 0.27551 -0.00011 -0.77696 -0.00099 -0.00001 0.00002 0.00009 0.31848 -0.00006 -0.00002 0.00000 0.01546 0.00001 0.00002 -0.00003 0.00004 0.01438 -0.00001 -0.00003 0.00000 -0.00011 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00043 0.00557 -0.00361 -0.00463 0.00879 -0.00846 0.02068 -0.04199 0.03795 0.03475 0.04430 0.00001 -0.00551 -0.00001 0.02214 0.01431 0.00000 0.03115 0.00002 0.94847 -1.03420 1.28741 0.00062 0.68461 0.24936 -0.00082 0.62267 0.00110 1.04230 -2.28667 -1.89683 -0.00583 0.42319 0.00195 -1.75446 1.54033 -1.45581 0.08583 0.00128 1.43037 0.96784 -0.16949 -0.00032 0.72424 -0.15298 1.48613 -1.21081 0.00084 -2.22296 -2.04647 0.44542 -0.77683 -0.51949 -0.16491 0.33988 0.15560 -0.21691 0.04549 -0.00047 0.00210 0.00243 -0.00579 -0.00170 0.01090 0.02762 0.04648 -0.02761 -0.05543 0.02404 0.00004 -0.04156 0.00002 0.05131 -0.07835 -0.00002 -0.07024 -0.00005 0.68216 -0.83245 -0.13546 0.00067 0.07473 -0.03735 0.00034 1.14436 -0.00045 -0.10809 0.45155 2.95672 0.00881 -0.04019 -0.00167 1.28760 1.28806 1.16814 1.08153 -0.00091 4.83710 1.64193 0.07656 0.00016 2.57279 -0.23821 1.51734 -0.38578 -0.00042 -0.10835 -0.41842 0.24988 4.61368 -0.28991 -0.00677 0.22287 -0.14069 0.14365 0.02702 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.05904 0.00005 -0.01629 0.00002 -0.00002 0.13487 0.00000 0.43699 0.00010 0.00002 -0.00005 -0.73854 0.00044 -0.00073 -1.04901 0.00040 0.18058 -0.00029 0.00023 0.00288 -0.82786 0.00004 1.44724 0.00236 0.00011 0.00018 -0.00023 -1.34802 0.00105 0.00023 0.00009 0.56759 0.00047 -0.00007 0.00035 -0.00015 0.15516 0.00003 0.00022 -0.00004 0.00090 -0.00009 0.00002 0.00003 -0.00001 0.00003 0.00001 0.00000 0.00729 0.00426 -0.00049 0.60006 -0.00693 -0.09429 0.07387 0.01178 -0.03568 -0.02108 -0.00001 0.01168 0.00000 0.01014 -0.02082 0.00000 -0.00029 0.00000 0.00667 0.00574 0.02949 0.00004 0.04630 -0.02337 0.00000 -0.00659 -0.00001 0.00253 -0.02329 0.01629 0.00004 0.07368 0.00001 -0.00785 -0.00083 -0.01484 -0.01144 0.00001 0.00763 -0.04367 0.06406 0.00000 0.00542 0.03316 -0.03568 0.07494 0.00000 0.01539 0.05299 -0.09278 0.04754 -0.01191 -0.94872 0.31554 0.09493 -1.44776 0.00105 0.00002 0.00548 0.00329 -0.00029 0.43385 -0.01009 -0.11727 0.09181 0.01526 -0.04544 -0.02574 -0.00002 0.01544 0.00000 0.01307 -0.02736 0.00000 -0.00058 0.00000 0.00793 0.00770 0.04000 0.00006 0.06625 -0.03030 0.00000 -0.01120 -0.00001 0.00519 -0.02995 0.02398 0.00006 0.09877 0.00000 -0.00232 -0.00094 -0.01657 -0.01963 0.00002 0.01096 -0.07009 0.09689 0.00000 0.00831 0.05142 -0.05572 0.12664 -0.00001 0.02535 0.08794 -0.15033 0.07962 -0.01892 1.02788 -0.34754 -0.10468 1.61109 -0.00200 -0.00008 -0.00149 -0.00126 -0.00073 0.02140 0.04898 0.30944 -0.23403 -0.04994 0.12560 0.04668 0.00006 -0.05439 0.00001 -0.03855 0.09051 0.00001 0.00664 0.00001 0.00184 -0.00042 -0.12593 -0.00024 -0.32935 0.04820 -0.00003 0.08329 -0.00007 -0.10408 0.04584 -0.12422 -0.00034 -0.25119 0.00044 -0.31055 0.01312 -0.08522 0.20458 -0.00003 -0.03863 0.58931 -0.62954 0.00001 -0.06502 -0.42070 0.45587 -1.36326 0.00018 -0.27335 -0.96314 1.37275 -0.89715 0.18199 -0.20027 0.10481 0.01619 -0.54157 0.00491 -0.00132 0.01115 0.00720 0.00091 -0.03140 0.05872 0.08860 -0.06547 -0.00444 0.06104 0.20338 -0.00008 0.05979 0.00003 -0.01743 0.01380 0.00001 -0.02861 0.00000 -0.36380 -0.30114 -0.47470 -0.00047 -0.18389 1.06106 0.00068 -0.78270 -0.00033 -0.68076 3.09588 0.98983 0.00347 -4.40860 -0.00280 2.48774 0.20323 1.15501 -0.15483 -0.00105 -0.35329 -0.80116 -0.68531 0.00008 0.66452 2.24116 -0.84730 7.53121 -0.00094 -0.66758 4.45045 -3.61860 4.83165 -0.22170 0.15722 -0.14229 -0.06750 1.38554 -0.01478 -0.00033 -0.00060 0.00098 0.00004 0.00112 0.04064 -0.03274 -0.23231 0.32954 -0.24663 0.07636 -0.00012 0.10750 -0.00001 0.08610 -0.13094 -0.00002 0.10678 -0.00001 0.05676 0.11292 -0.15596 -0.00007 -0.15524 -0.14177 0.00006 0.11903 -0.00001 -0.01402 -0.04150 -0.14654 -0.00043 -0.09726 0.00023 -0.13998 0.41500 -0.27489 -0.28723 0.00023 0.20409 -0.23527 0.46825 0.00000 -0.00959 -0.05090 0.21107 0.47710 -0.00009 -0.13261 0.56919 1.07025 -0.04374 0.00973 0.00094 -0.03804 -0.07097 -0.03273 0.01317 0.00007 0.00012 -0.00024 -0.00013 -0.00017 -0.00871 0.00280 0.03779 -0.09438 -0.04683 0.07420 0.00021 -0.22699 0.00001 0.07781 -0.00722 -0.00004 0.51764 0.00003 0.37366 0.14206 -0.25406 -0.00015 0.11860 0.09750 0.00012 -0.17550 0.00004 -0.01710 0.29099 -0.22620 -0.00068 0.13899 -0.00019 0.13474 -0.32253 -0.35109 -0.52870 0.00035 0.40915 0.15718 -0.13596 -0.00003 0.18212 -0.10541 0.04799 -0.20876 0.00001 0.04266 -0.05182 -0.23183 0.07681 -0.00164 0.00074 0.01339 0.01359 0.00457 -0.00298 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00001 0.22001 0.00022 0.11316 0.00001 -0.00001 0.44398 0.00006 -0.23420 0.00003 0.00020 -0.00014 0.63203 -0.00037 0.00047 -0.08327 -0.00008 -0.32477 0.00043 0.00000 -0.00055 0.13721 0.00006 -0.00248 -0.00011 0.00002 -0.00024 -0.00036 -0.84189 0.00005 0.00001 -0.00001 0.15667 0.00002 0.00001 0.00001 -0.00002 0.07991 0.00002 0.00004 0.00000 0.00004 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00427 0.01959 -0.01150 -0.00432 0.00012 0.07328 0.04259 -0.01996 0.00263 0.02975 0.04725 -0.00005 0.04811 0.00000 0.02979 -0.01244 0.00000 0.10549 0.00001 1.09567 0.04717 2.10430 0.00071 1.53965 0.98535 0.00018 0.93344 0.00157 0.89937 0.15511 -1.65638 -0.00458 -3.21974 0.00053 -0.28050 -0.99333 -2.90004 3.79742 -0.00077 1.04071 0.84456 3.37242 0.00017 -0.83171 0.08232 4.33015 1.82160 0.00151 -5.13713 -0.52118 -1.63067 -1.28191 -3.57121 -0.09888 0.56068 0.69539 0.29977 0.33395 0.00111 -0.00564 0.00198 0.00327 -0.00061 -0.01717 -0.02465 -0.00741 -0.00107 -0.00567 -0.00553 0.00004 -0.03692 0.00000 -0.06411 0.01184 -0.00001 0.27279 0.00002 -0.06655 0.47487 -0.79717 -0.00039 -0.34249 -0.51582 0.00006 -0.81659 -0.00006 -0.10260 0.29136 -0.54622 -0.00165 0.59698 0.00025 -0.13555 0.04217 0.39951 0.16433 -0.00050 -4.25931 -1.28226 -0.69894 0.00014 -2.70632 0.88409 -1.95929 0.27405 -0.00008 1.43564 0.19887 0.26326 -1.62708 0.93786 0.04910 -0.23503 -0.12024 -0.08700 -0.08522 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00679 0.00001 0.00512 -0.00001 0.00001 0.16229 0.00003 -0.23782 -0.00001 0.00020 -0.00014 1.07803 -0.00058 0.00071 0.58459 -0.00028 0.19613 -0.00017 -0.00015 -0.00094 0.25172 -0.00003 -0.15361 -0.00027 -0.00012 0.00049 0.00098 2.71468 -0.00067 -0.00013 -0.00001 -1.56796 -0.00044 -0.00007 -0.00024 0.00011 -0.66573 -0.00017 -0.00025 -0.00001 -0.00050 0.00005 -0.00001 -0.00002 0.00001 -0.00002 0.00000 -0.00001 0.59999 0.00034 0.00008 -0.00764 -0.07614 -0.04121 0.07214 -0.04868 0.02764 0.04444 -0.00001 0.00761 0.00000 -0.00300 0.00563 0.00000 -0.00009 0.00000 -0.00032 -0.01582 -0.01683 -0.00001 -0.00958 0.01459 0.00000 0.02660 0.00005 0.03611 -0.00685 -0.03261 -0.00009 -0.06789 -0.00006 0.04569 0.01506 -0.00653 0.00847 0.00000 0.02863 -0.06922 0.02283 0.00000 -0.00204 -0.00150 -0.06164 -0.05914 -0.00003 0.07477 0.00837 0.08250 -0.01082 0.02049 -1.04480 0.67355 0.87277 0.89283 0.01246 0.00017 0.43398 0.00043 0.00012 -0.00526 -0.09413 -0.05233 0.09043 -0.06075 0.03481 0.05758 -0.00001 0.01007 0.00000 -0.00387 0.00694 0.00000 -0.00030 0.00000 -0.00236 -0.02199 -0.02642 -0.00001 -0.01251 0.01846 0.00001 0.03642 0.00007 0.05276 -0.01167 -0.04359 -0.00013 -0.08871 -0.00009 0.07050 0.01868 -0.00562 0.01025 -0.00001 0.04258 -0.11360 0.02673 0.00000 -0.00331 -0.00345 -0.10123 -0.09454 -0.00004 0.12356 0.01355 0.13335 -0.01682 0.02260 1.13653 -0.74486 -0.96833 -0.99741 -0.02143 -0.00047 0.02104 -0.00182 -0.00067 -0.00224 0.27037 0.15348 -0.24248 0.15669 -0.09443 -0.19817 0.00005 -0.04165 0.00000 0.01201 -0.01402 0.00000 0.00553 0.00000 0.05515 0.09756 0.15815 0.00000 -0.02555 -0.02737 -0.00001 -0.09759 -0.00032 -0.28340 0.11433 0.10277 0.00033 0.12688 0.00070 -0.50909 0.03349 -0.12045 0.02071 0.00007 -0.23959 1.02855 0.09369 -0.00003 0.02672 0.05337 1.03830 0.86967 0.00045 -1.32437 -0.13369 -1.21505 0.12029 -0.21171 -0.22357 0.24054 0.32265 0.34141 0.01857 0.00821 -0.03438 0.01003 0.00552 0.01300 -0.03067 0.00475 -0.05361 0.01835 -0.05776 -0.20877 0.00015 -0.12456 -0.00001 -0.04983 0.01713 0.00000 -0.04510 -0.00001 -0.86715 0.21883 -1.43298 0.00010 -0.35470 -1.39625 -0.00045 -1.19560 -0.00139 -0.51546 -1.10855 1.70351 0.00444 5.54798 -0.00073 0.25258 0.10569 3.17372 -3.64338 0.00067 -1.92616 -0.71537 -2.22829 -0.00002 -0.16007 -0.94638 -5.13321 -6.29802 -0.00156 6.97609 -1.36051 3.91148 -1.34541 5.70269 0.17531 -0.70775 -0.86722 -1.09850 -0.55282 -0.00038 0.00073 0.00049 0.00003 0.00141 0.24162 -0.17783 0.27230 -0.15558 0.02337 -0.28460 0.00021 -0.20526 0.00001 0.05396 0.05470 0.00000 0.05385 0.00001 -0.11285 -0.10512 0.06589 0.00008 0.14031 0.09069 0.00000 0.06273 0.00016 0.13510 0.03352 -0.08073 -0.00026 0.08989 -0.00057 0.38264 -0.10828 0.39883 -0.14933 -0.00009 -0.27360 0.55653 0.03552 0.00002 -0.03107 -0.06378 0.39000 0.42814 -0.00013 -0.27782 0.41405 1.12178 -0.05014 0.44522 -0.05436 0.00377 -0.02069 -0.06690 -0.00936 0.00007 -0.00012 -0.00009 -0.00006 -0.00029 -0.05035 0.03668 -0.05817 0.02526 -0.05874 0.14606 0.00016 -0.18904 -0.00001 0.40935 0.06102 -0.00001 0.26337 0.00005 -0.58740 -0.08475 0.24047 0.00011 -0.00460 0.04956 0.00000 0.27417 -0.00014 -0.17664 0.30090 -0.36732 -0.00113 0.28195 -0.00014 0.02727 0.35674 0.20508 0.37456 -0.00016 0.12338 -0.08133 -0.00972 0.00001 -0.02224 0.05838 -0.06696 -0.08975 0.00001 0.04575 -0.09820 -0.22914 0.05422 -0.09814 0.01086 0.00199 0.00344 0.01474 0.00232 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.32651 0.00034 0.35149 0.00003 0.00001 0.04122 0.00003 -0.43053 -0.00005 -0.00019 0.00013 -0.61858 0.00034 -0.00035 -0.02534 0.00008 -0.30601 0.00035 0.00005 -0.00164 0.54094 0.00006 0.43376 0.00065 -0.00001 0.00015 0.00016 0.29866 0.00002 0.00000 0.00001 -0.09653 0.00000 0.00001 0.00001 0.00000 0.00194 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00124 0.00701 -0.00057 -0.00087 -0.00562 -0.00704 -0.00721 -0.00236 0.03197 -0.01640 0.15718 -0.00010 0.08577 0.00000 0.05069 -0.02103 0.00000 0.01403 0.00000 0.18751 -0.23053 0.94541 0.00044 0.73529 0.45448 -0.00010 -0.56819 -0.00047 -0.51855 0.80292 0.18942 0.00078 -2.36526 0.00052 -0.15017 1.45925 -0.22311 -0.54135 0.00027 0.54585 -0.47593 -0.66100 -0.00011 0.63900 0.20771 0.78814 2.27504 0.00022 -1.44582 0.85080 -1.22240 1.12090 1.07647 -0.02801 0.09877 0.12032 0.35068 -0.15195 -0.00036 -0.00070 0.00028 -0.00057 0.00152 0.00201 0.00730 0.00292 -0.00868 -0.01158 -0.01332 0.00005 -0.06067 0.00000 0.11658 0.01852 0.00000 0.01441 0.00001 -0.45366 -0.30850 0.16813 0.00012 -0.23904 -0.02296 -0.00017 0.32035 -0.00002 0.19536 -1.02969 1.08099 0.00321 -0.02650 0.00031 -0.18933 -0.75656 -0.08018 -0.81860 0.00048 1.64027 0.46715 0.22307 -0.00021 2.24090 -0.92128 0.33330 -0.86213 -0.00009 0.03648 -0.11776 0.25718 0.55541 -0.32206 -0.01244 0.02237 -0.02822 -0.06441 0.03899 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.07623 0.00008 0.07855 0.00001 0.00000 -0.03051 0.00000 -0.11723 -0.00002 -0.00022 0.00016 -0.88451 0.00048 -0.00060 -0.21786 0.00016 0.48503 -0.00064 0.00003 0.00307 -0.94374 -0.00012 -0.76343 -0.00105 0.00007 -0.00043 -0.00067 -1.63468 0.00027 0.00004 -0.00002 1.86295 0.00035 0.00005 0.00012 -0.00006 0.48191 0.00010 0.00016 0.00001 0.00024 -0.00002 0.00001 0.00001 0.00000 0.00001 0.00000 0.00004 -0.00029 -0.00023 -0.00041 -0.00011 -0.00028 0.04442 0.07618 0.10609 -0.01648 0.04700 -0.14412 -0.08418 0.15832 -0.07796 0.10907 0.09779 -0.01832 0.08131 -0.01795 -0.01676 -0.02325 -0.04985 0.05206 -0.06643 0.11798 0.04634 0.04409 -0.03032 0.02115 -0.00925 0.05279 -0.02746 0.02708 -0.07742 -0.00648 -0.07496 0.05170 -0.08391 -0.01676 0.13353 -0.05556 0.10702 0.12705 0.14313 0.36505 0.24987 -1.05420 0.80519 0.08548 -0.08992 -0.47812 0.05916 0.01892 0.01414 -0.00761 -0.00590 -0.00269 -0.00023 0.00150 0.00041 0.00368 0.00042 0.00271 -0.00461 0.00594 0.03436 -0.00806 0.03493 -0.08751 -0.04723 0.11023 -0.05326 0.07446 0.10216 -0.03629 0.11746 -0.26634 0.06294 -0.71518 -0.09136 1.21414 -0.72603 1.75287 0.47922 0.09048 -0.03104 0.03307 0.22195 0.23101 -0.49235 0.05319 -0.03473 0.17811 -0.45952 0.62026 -0.38958 0.24045 0.54771 -0.03057 -0.02465 -0.37501 -1.34030 -0.67404 -0.14368 1.92713 -1.13918 0.38944 -0.17297 0.29302 -0.21554 -0.08290 -0.11665 0.08796 0.02183 0.01701 0.00004 -0.00029 -0.00023 -0.00041 -0.00011 -0.00029 0.04442 0.07617 0.10608 -0.01644 0.04699 0.14433 -0.08389 -0.15836 -0.07791 0.10897 -0.09781 -0.01831 -0.08134 -0.01794 -0.01668 -0.02331 0.05000 0.05200 -0.06635 -0.11799 0.04632 -0.04417 -0.03022 0.02120 -0.00896 -0.05284 -0.02754 -0.02685 -0.07743 -0.00653 -0.07491 0.05185 0.08387 -0.01671 0.13364 -0.05555 -0.10697 0.12719 0.14335 0.36527 0.25026 1.05308 0.80627 0.08542 -0.08971 -0.47828 0.05926 0.01892 0.01413 -0.00760 -0.00591 -0.00270 -0.00023 0.00150 0.00041 0.00368 0.00042 0.00271 -0.00461 0.00594 0.03435 -0.00804 0.03493 0.08764 -0.04706 -0.11025 -0.05322 0.07438 -0.10219 -0.03627 -0.11755 -0.26626 0.06347 -0.71566 0.09339 1.21395 -0.72607 -1.75242 0.47950 -0.09072 -0.03076 0.03347 0.22329 -0.22968 -0.49242 -0.05270 -0.03454 0.17803 -0.45911 0.62038 0.38896 0.24111 0.54769 -0.03050 0.02490 -0.37483 -1.34061 -0.67436 -0.14427 -1.92527 -1.14123 0.38960 -0.17343 0.29377 -0.21581 -0.08289 -0.11662 0.08793 0.02188 0.01702 -0.00001 -0.00015 -0.00011 -0.00040 -0.00039 0.00052 0.04506 0.06884 0.09574 0.12094 -0.00527 0.00002 -0.05614 0.00005 0.03998 -0.25891 0.00003 0.00050 0.00003 -0.00233 0.03010 -0.05008 -0.00013 -0.00640 0.15879 -0.00001 -0.02061 -0.00007 -0.07776 -0.08507 0.03735 0.00012 -0.00838 0.00002 -0.02606 0.05167 -0.00933 0.09656 0.00000 -0.07126 0.09363 -0.17168 -0.00005 -0.06567 0.07415 0.16785 -0.71479 0.00018 -0.05233 1.26940 -0.24992 -0.03707 -0.04524 0.01969 0.01474 -0.00931 0.01058 0.00129 0.00011 0.00085 -0.00050 0.00377 0.00227 -0.00613 0.00105 -0.01224 0.04264 0.04661 0.00936 -0.00001 -0.01603 0.00002 0.01700 -0.18286 0.00002 -0.03923 0.00005 -0.24980 0.13221 -0.49992 -0.00104 0.68643 1.97745 -0.00015 -0.21266 0.00029 0.21289 -1.21466 -0.50878 -0.00155 0.41266 0.00093 -0.85143 0.81235 -0.82865 0.23381 0.00064 -0.17399 0.26080 0.15933 -0.00005 -0.43351 -1.38386 -0.26299 1.35233 -0.00040 0.44101 -1.97676 0.31039 -0.82867 0.14338 -0.08380 -0.11402 0.10866 -0.06982 -0.00648 0.00004 -0.00036 -0.00021 -0.00040 -0.00051 0.00023 0.07265 0.04434 -0.09604 -0.21234 0.03315 0.00005 -0.04167 0.00000 -0.04803 -0.16590 0.00000 -0.10626 0.00001 -0.08568 -0.10163 0.05329 0.00003 -0.03521 -0.06494 -0.00003 -0.01254 0.00000 -0.00303 0.05610 -0.10330 -0.00030 -0.05670 0.00019 -0.14415 -0.10579 -0.05807 -0.02965 0.00004 -0.15387 0.06509 -0.03495 0.00000 -0.21467 -0.33969 0.38761 -0.11739 -0.00019 0.57912 -0.07717 0.10468 1.34679 0.08412 0.03119 0.01187 -0.00664 0.00883 -0.00482 0.00011 0.00016 0.00116 0.00258 0.00184 -0.00467 -0.00450 -0.01201 -0.01973 -0.10752 0.03180 0.00002 -0.02612 -0.00001 -0.08038 -0.12332 0.00000 -0.12980 0.00002 -0.60971 -0.74559 0.18822 0.00001 -0.03150 -0.08443 -0.00036 -1.35189 0.00109 0.75011 0.07480 -2.28327 -0.00675 -0.08152 0.00151 -1.27701 -0.80546 -1.29353 -0.80645 0.00102 -2.48274 -0.48330 -0.40188 -0.00026 -0.73713 1.00976 -1.76941 0.32577 0.00057 -1.07462 0.35527 -0.18922 -3.77516 0.02906 -0.10017 -0.10322 0.01407 -0.05379 -0.00637 1 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 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 H 1S 2S 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 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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 H 1S|2S|7 H 1S|2S|8 H 1S|2S|9 H 1S|2S 1.13249 0.85914 0.98610 0.82667 1.10543 1.25927 1.03041 0.20298 0.39283 0.34042 1.17419 0.81431 0.73354 0.69581 0.90881 0.91225 0.92635 0.17452 0.17427 0.20007 1.17452 0.81406 0.76953 0.50322 0.94640 0.95582 0.65802 0.06817 0.08354 0.19053 1.17408 0.81419 0.71776 0.21512 0.96247 0.97858 0.80035 0.07122 0.24847 0.17873 1.17442 0.81385 0.78459 0.01439 0.97475 0.90790 0.72207 0.09966 0.17043 0.13511 0.50777 0.25243 0.50775 0.25245 0.51039 0.23890 0.51947 0.23902 -3.9919 0.3784 0.0002 4.0098 -30.5045 -28.0439 -28.2680 0.4084 -0.0004 0.0001 -1.5657 0.8949 0.6708 0.4084 -0.0004 0.0001 -12.0566 2.3835 0.0005 3.1509 3.0786 0.0003 5.5437 0.1998 -0.0002 0.0000 -590.8790 -63.7556 -33.5245 -0.1648 0.0012 -8.3945 0.0014 -0.0018 -0.0015 -104.7724 -91.4599 -18.0855 -0.0023 0.0002 -1.6958 0 0 0 0 0 0 0 0 0 64.04220000000001 AuxInfo=1/0/N:2,3,4,5,1/CRV:2.3,3.2,4.2,5.1/rA:9O1CC3C2C2HHHH/rB:;s2;s3;s1s4;s2;s2;s2;s3;/rC:;;;;;;;;; 0.000000 5.021190 0.000000 3.832739 1.507574 0.000000 2.516014 2.538176 1.350708 0.000000 1.222536 3.823147 2.611446 1.297718 0.000000 5.710539 1.108716 2.156475 3.258927 4.519452 0.000000 5.710826 1.108709 2.156517 3.259097 4.519699 1.771662 0.000000 4.940910 1.099944 2.171612 2.695662 3.841613 1.801393 1.801422 0.000000 4.324926 2.218402 1.106801 2.127418 3.168677 2.561955 2.561729 3.129685 0.000000 45.3774449 2.0686672 2.0032811 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= 58 58 58 58 58 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 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 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 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 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 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 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= 741 NPrTT= 3858 LenC2= 721 LenP2D= 2907. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 58 RedAO= T EigKep= 2.66D-03 NBF= 58 NBsUse= 58 1.00D-06 EigRej= -1.00D+00 NBFU= 58 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= 57 57 57 57 57 MxSgAt= 9 MxSgA2= 9. 1 Closed 1 0 1 -229.539705534012 -229.580465585081 -0.040760051069 -229.612373717690 -0.031908132610 -229.245929493509 0.366444224181 -229.608382111189 -0.362452617680 -229.650988646047 -0.042606534858 -229.651396542394 -0.000407896347 -229.651477854125 -0.000081311731 -229.651486546032 -0.000008691907 -229.651476054908 0.000010491124 -229.651476044471 0.000000010437 -229.651476067183 -0.000000022711 -229.651476094649 -0.000000027467 -229.651476097556 -0.000000002907 -229.651476098215 -0.000000000659 -229.651476098223 -0.000000000008 -229.651476098223 0.000000000000 -229.651476098 17 2.292001632036e+02 -8.144872309598e+02 2.164866831964e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=2371664. IVT= 29356 IEndB= 29356 NGot= 402653184 MDV= 401159213 LenX= 401159213 LenY= 401155408 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= 1711 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -1.57051866e+00 1.48882759e-01 6.27646464e-05 1 2 3 4 5 6 7 8 9 8 6 6 6 6 1 1 1 1 0.089187505 -0.018647847 0.000000356 0.000626564 -0.005495184 0.000002278 -0.039068240 0.005682525 0.000018086 -0.104393954 0.021694525 -0.000004995 0.074819896 -0.015212188 -0.000001416 -0.007703025 0.001781685 -0.005272377 -0.007681420 0.001777516 0.005259036 0.002595858 -0.003511938 0.000002264 -0.008383184 0.011930905 -0.000003231 0.104393954 0.031915029 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -229.672185439715 -229.672231540331 -0.000046100615 -229.672227238084 0.000004302247 -229.672231870799 -0.000004632715 -229.672232044555 -0.000000173755 -229.672232063129 -0.000000018574 -229.672232064753 -0.000000001625 -229.672232064877 -0.000000000124 -229.672232064883 -0.000000000006 -229.672232064885 -0.000000000002 -229.672232065 10 2.284793816243e+02 -8.030764683443e+02 2.112030637791e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=2371664. IVT= 29356 IEndB= 29356 NGot= 402653184 MDV= 401159213 LenX= 401159213 LenY= 401155408 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= 1711 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 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 -18.813580 -10.008293 -9.970145 -9.922758 -9.916448 -1.001757 -0.748861 -0.680087 -0.592322 -0.467303 -0.422303 -0.398970 -0.396283 -0.379901 -0.364180 -0.352052 -0.263527 -0.195080 -0.127372 0.012025 0.071952 0.084618 0.089615 0.120400 0.145565 0.146876 0.163358 0.232768 0.234599 0.249473 0.264133 0.267202 0.275870 0.344110 0.347076 0.388381 0.414061 0.443984 0.452200 0.468334 0.600699 0.708738 0.762227 0.775697 0.857002 0.897429 0.940222 1.025066 1.040706 1.053615 1.099369 1.263603 1.630109 22.252974 22.544026 22.604546 22.724787 41.471854 29.117149 15.952596 15.959106 15.954102 15.956269 2.801333 1.604309 1.663773 1.603607 1.233143 2.425962 1.343162 1.074441 1.555318 1.687977 1.150223 1.438207 1.719014 1.735024 1.887243 1.960026 1.464428 1.202558 1.405572 0.892622 1.049132 1.088530 1.331148 1.202902 1.608935 1.080355 1.255183 1.129643 1.591854 1.420788 2.781891 1.756766 1.676727 1.539419 1.548724 2.310886 2.667426 2.584741 2.642164 3.055424 4.477896 3.238220 2.800725 2.508864 3.106395 2.585995 2.679827 5.013331 57.388050 57.403801 57.383425 57.414900 105.843604 2.284793816243D+02 PT235.900S 2017-07-21T23:25:16.000+02:00 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 O C C C C H H H H -0.135732 -0.714131 -0.163812 -0.160968 0.202818 0.239801 0.239801 0.250710 0.241512 0.00000 -1.00176 -0.74886 -0.68009 -0.59232 -0.46730 -0.42230 -0.39897 -0.39628 -0.37990 -0.36418 -0.35205 -0.26353 -0.19508 -0.12737 0.01203 0.07195 0.08462 0.08961 0.12040 0.14557 0.14688 0.16336 0.23277 0.23460 0.24947 0.26413 0.26720 0.27587 0.34411 0.34708 0.38838 0.41406 0.44398 0.45220 0.46833 0.60070 0.70874 0.76223 0.77570 0.85700 0.89743 0.94022 1.02507 1.04071 1.05361 1.09937 1.26360 1.63011 22.25297 22.54403 22.60455 22.72479 41.47185 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 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 -18.81358 -10.00829 -9.97014 -9.92276 -9.91645 -1.00176 -0.74886 -0.68009 -0.59232 -0.46730 -0.42230 -0.39897 -0.39628 -0.37990 -0.36418 -0.35205 -0.26353 -0.19508 -0.12737 0.01203 0.07195 0.08462 0.08961 0.12040 0.14557 0.14688 0.16336 0.23277 0.23460 0.24947 0.26413 0.26720 0.27587 0.34411 0.34708 0.38838 0.41406 0.44398 0.45220 0.46833 0.60070 0.70874 0.76223 0.77570 0.85700 0.89743 0.94022 1.02507 1.04071 1.05361 1.09937 1.26360 1.63011 22.25297 22.54403 22.60455 22.72479 41.47185 0.58055 -0.00007 0.00000 0.00000 0.00000 -0.12399 0.01255 -0.02356 0.02019 0.01897 -0.06676 -0.01256 -0.00001 0.00000 -0.00383 0.00105 0.00000 0.00065 0.00000 0.00284 -0.00001 0.04377 -0.00679 0.02597 0.00004 0.01379 -0.01520 -0.00377 0.00000 0.00385 0.01455 0.00001 0.00507 0.01433 0.00003 -0.00377 -0.01424 -0.04077 -0.00001 -0.00262 0.02353 -0.00874 -0.00001 0.00427 -0.00623 -0.02392 -0.00902 -0.00801 -0.00002 0.01828 0.00291 -0.01548 -0.14831 -0.00502 0.00580 -0.00411 0.00282 -1.73060 0.45931 -0.00002 -0.00002 0.00001 -0.00001 -0.16512 0.01688 -0.03176 0.02720 0.02545 -0.08939 -0.01682 -0.00001 0.00000 -0.00508 0.00138 0.00000 0.00094 0.00000 0.00382 -0.00001 0.05918 -0.00955 0.03502 0.00005 0.01864 -0.01998 -0.00483 0.00000 0.00615 0.01803 0.00001 0.00603 0.01950 0.00004 -0.00707 -0.01755 -0.05462 -0.00001 -0.00442 0.03166 -0.01461 -0.00001 0.00635 -0.00923 -0.03458 -0.01388 -0.01173 -0.00003 0.02853 0.00497 -0.02525 -0.24889 0.00152 -0.00163 0.00117 -0.00092 1.88637 0.00863 -0.00013 0.00020 0.00000 0.00007 0.48600 -0.05289 0.10028 -0.08475 -0.07630 0.26436 0.04992 0.00003 0.00000 0.01423 -0.00376 0.00000 -0.00440 0.00000 -0.01010 0.00003 -0.17439 0.03564 -0.09948 -0.00016 -0.05542 0.04424 0.00691 0.00000 -0.03542 -0.01876 0.00000 0.00158 -0.05902 -0.00012 0.06600 0.00911 0.14363 0.00004 0.03478 -0.08846 0.11184 0.00006 -0.03514 0.04988 0.17249 0.08450 0.05924 0.00019 -0.18054 -0.04089 0.19331 2.18863 0.00040 -0.01396 0.01064 -0.00395 -0.45975 -0.00693 0.00040 -0.00125 -0.00066 -0.00035 0.32516 -0.01372 0.04066 -0.06205 -0.09585 0.35658 0.06388 0.00004 -0.00001 0.02322 -0.00457 0.00000 0.00533 -0.00001 -0.06498 0.00008 -0.69861 0.05661 -0.48359 -0.00067 -0.23608 0.38083 0.11397 0.00005 0.04500 -0.54061 -0.00027 -0.24873 -0.32722 -0.00056 -0.30595 0.62438 1.00827 0.00014 -0.14053 -0.15301 0.12592 0.00003 0.02277 -0.03158 0.07524 0.22631 0.11022 0.00041 -0.28701 -0.04145 -0.10000 -4.27698 0.03737 0.05198 -0.04886 0.02599 0.54253 -0.00180 0.00064 0.00002 0.00003 -0.00003 -0.22170 0.00393 0.00604 -0.02776 -0.09394 0.53317 0.11694 0.00009 0.00003 0.10293 -0.00897 -0.00003 -0.02241 0.00004 0.00620 -0.00001 0.24999 -0.07293 0.17395 0.00008 0.03545 -0.09383 -0.03600 0.00003 0.21492 -0.20880 -0.00009 -0.04233 0.07592 0.00019 -0.32115 0.17158 0.05294 -0.00001 -0.13926 -0.07926 -0.55111 -0.00024 0.04435 -0.09995 -0.65064 -0.06912 0.01021 0.00019 -0.15001 -0.01075 -0.05353 0.09655 -0.02815 0.02221 -0.01413 0.01668 0.00426 0.00013 0.00004 -0.00002 0.00005 0.00001 0.01654 -0.00127 0.00326 -0.00684 0.01363 -0.03726 -0.19201 -0.00022 -0.00004 0.48006 0.15446 0.00008 -0.44653 -0.00008 -0.35943 -0.00003 -0.04879 0.01979 0.06739 -0.00003 0.00826 -0.04457 0.02876 -0.00001 0.00285 0.00724 -0.00004 -0.11082 0.09736 0.00015 0.05035 -0.08736 0.00889 -0.00018 -0.21638 -0.09394 0.10328 0.00049 -0.80644 -0.16002 -0.08278 0.12552 -0.01571 0.00002 -0.01044 0.06950 0.00081 -0.01553 -0.00003 0.00073 -0.00128 -0.00130 0.00014 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 0.00000 0.00000 0.00000 0.00002 -0.00004 -0.00018 0.22283 0.46928 0.00005 0.00006 -0.35764 -0.00010 0.38999 -0.00005 0.30574 0.00000 -0.00003 0.00001 -0.01128 -0.00002 -0.00001 -0.00002 -0.03939 -0.00002 0.00002 0.05425 -0.00005 -0.00025 0.12274 0.00005 -0.00005 -0.00001 0.19864 -0.00017 0.00000 0.00023 -0.84673 -0.00048 -0.00007 0.00011 0.00004 -0.00006 -0.09712 -0.00008 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00222 -0.00096 0.00061 0.00169 0.00039 -0.00047 -0.01684 0.03520 -0.03491 -0.03384 0.12309 0.02254 0.00002 0.00001 0.01988 0.00047 -0.00001 -0.02278 0.00003 0.04192 0.00000 0.18310 -0.07808 0.24711 0.00002 0.01094 -0.15030 -0.04269 0.00004 0.29631 -0.23928 -0.00006 0.01555 0.31661 0.00060 -0.10174 -0.30277 -0.90697 -0.00015 0.03915 0.90364 1.02774 0.00037 0.04685 0.01450 0.67444 0.04558 -0.46790 -0.00090 0.92661 -0.04842 0.25637 1.00914 -0.02361 -0.04398 0.03801 -0.08756 -0.11212 -0.00012 -0.00046 0.00010 -0.00044 0.00000 0.00009 -0.00064 -0.00025 0.00088 0.00384 -0.01284 -0.06240 -0.00007 -0.00001 0.17284 0.06170 0.00004 -0.24408 -0.00005 -0.29693 -0.00005 -0.09157 -0.02197 0.03148 -0.00025 -0.04849 -0.06601 -0.07889 0.00004 -0.00224 0.01261 -0.00007 -0.13059 0.00045 0.00000 -0.04300 -0.04301 0.01758 -0.00007 -0.08364 0.00588 -0.17730 -0.00093 1.57355 0.37902 0.30717 -0.35347 0.07927 -0.00007 0.02125 -0.17240 0.00995 -0.03914 0.01492 -0.01400 0.00917 0.00713 0.00546 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00006 0.07426 0.16912 0.00002 0.00002 -0.17428 -0.00005 0.24400 -0.00005 0.28631 0.00002 -0.00004 0.00000 0.05134 -0.00023 -0.00005 -0.00002 -0.03470 -0.00005 -0.00001 0.12524 -0.00010 -0.00006 -0.00053 0.00003 0.00002 0.00007 0.06744 -0.00005 -0.00010 -0.00039 1.62490 0.00093 0.00018 -0.00017 -0.00008 0.00023 0.27699 0.00016 -0.00001 0.00004 -0.00015 0.00000 0.00001 -0.00001 0.00001 0.00002 0.00000 -0.00005 0.00066 -0.00080 0.60041 -0.00008 -0.06202 -0.07987 -0.07303 0.01255 -0.00176 0.00358 0.00000 0.00000 -0.00467 -0.00020 0.00000 -0.01603 0.00000 0.02684 0.00000 -0.02616 -0.07002 0.04017 0.00004 0.01233 0.00648 0.02048 -0.00001 -0.00105 -0.00895 0.00000 0.01031 0.00787 0.00002 0.05047 0.01074 0.00718 -0.00002 -0.02536 0.00322 -0.00363 -0.00001 -0.00559 0.13131 -0.03571 0.07720 -0.00738 -0.00002 0.01316 -0.00969 -0.02311 -0.00143 -0.36692 -1.25263 -1.17893 -0.09737 -0.00051 -0.00001 0.00002 0.00059 -0.00051 0.43399 -0.00009 -0.07792 -0.10063 -0.09257 0.01601 -0.00209 0.00440 0.00000 0.00000 -0.00604 -0.00036 0.00000 -0.02114 0.00000 0.03594 -0.00001 -0.03263 -0.08947 0.05379 0.00005 0.01711 0.00954 0.02903 -0.00001 -0.00134 -0.01324 0.00000 0.01477 0.01248 0.00003 0.07132 0.01482 0.00774 -0.00003 -0.03314 -0.00161 -0.00302 -0.00001 -0.01062 0.21222 -0.05664 0.12671 -0.01914 -0.00001 0.01454 -0.02930 -0.04484 -0.00245 0.39703 1.37749 1.30033 0.10800 0.00095 0.00004 -0.00061 -0.00052 -0.00065 0.01984 0.00056 0.21078 0.27439 0.26295 -0.04436 0.00238 -0.00690 0.00001 -0.00001 0.01818 0.00238 0.00000 0.06569 0.00001 -0.11691 0.00000 0.03867 0.16134 -0.15616 -0.00021 -0.05763 -0.03510 -0.13777 0.00006 -0.01412 0.08166 -0.00001 -0.07292 -0.10354 -0.00023 -0.34027 -0.05427 0.04979 0.00012 0.06013 0.16739 -0.02036 0.00008 0.16629 -1.97871 0.48210 -1.15746 0.38215 -0.00038 0.04217 0.66621 0.72862 0.01147 -0.06918 -0.38927 -0.36510 -0.02697 -0.00179 0.00052 0.00057 0.00484 0.00223 -0.02242 -0.01815 0.18467 0.24990 0.22051 -0.06281 0.03903 -0.05990 -0.00004 0.00001 0.04181 -0.01829 -0.00001 0.14796 0.00001 -0.45703 0.00021 1.21538 2.56518 -1.24942 -0.00117 -0.46900 -0.14655 0.16454 -0.00011 0.55327 -0.56219 -0.00011 0.05297 0.49155 0.00075 0.10324 -0.69577 -0.61698 0.00100 1.96994 -0.07863 -0.85307 -0.00009 -1.44401 5.69058 -0.89234 2.52457 -1.26327 0.00032 0.33402 -1.85704 -3.53924 0.64217 0.01796 0.59033 0.74580 0.06630 -0.05050 0.00005 -0.00014 -0.00003 -0.00011 -0.00007 -0.00101 0.05610 0.01115 -0.10388 -0.04467 -0.12846 0.36666 0.00031 -0.00002 0.24860 -0.15871 -0.00001 0.13110 0.00001 -0.07143 -0.00002 -0.18406 -0.00225 0.36508 -0.00072 -0.17090 -0.03669 0.11207 -0.00007 -0.55096 -0.05591 -0.00001 -0.08273 0.00174 -0.00010 -0.61834 -0.30921 -0.00215 0.00041 0.48569 0.06902 -0.11834 0.00007 -0.18468 0.22027 -0.00863 -0.01667 0.29906 -0.00067 0.20036 -0.01135 -0.08186 0.05909 0.00716 0.00139 0.00468 0.00167 -0.00471 0.00005 -0.00015 -0.00001 -0.00013 0.00018 -0.00057 0.04312 0.02735 -0.05497 0.23606 0.02709 0.16003 0.00002 0.00002 -0.04339 0.43239 0.00005 0.06859 0.00002 -0.01393 0.00009 -0.10781 0.05159 -0.01437 0.00147 0.42975 0.08595 0.50227 -0.00011 0.36578 0.23875 0.00005 -0.25813 -0.40914 -0.00085 -0.34313 -0.36232 -0.06582 -0.00003 0.03105 -0.07254 -0.00640 -0.00004 0.03495 0.12777 0.01839 -0.01089 -0.23513 0.00018 -0.03121 0.36905 -0.12622 0.06274 0.00829 -0.00323 0.00257 0.00244 -0.00444 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00006 0.00003 -0.00035 0.42761 -0.27053 0.00003 0.00011 -0.15488 0.00002 -0.06090 -0.00003 -0.03777 -0.00004 -0.00004 0.00004 0.51387 -0.00175 -0.00027 -0.00014 -0.64533 -0.00003 0.00015 -0.55863 0.00006 -0.00051 0.21400 -0.00003 -0.00004 -0.00001 0.05104 -0.00002 0.00001 0.00000 -0.02580 -0.00004 0.00004 -0.00001 -0.00004 0.00046 0.50429 0.00078 0.00008 -0.00002 0.00002 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00012 0.00150 0.00259 -0.00012 -0.00123 0.00257 -0.00619 0.00898 -0.02972 -0.02493 -0.01932 0.07474 0.00006 0.00000 0.07233 -0.05373 -0.00001 0.05958 0.00000 -0.03429 0.00006 -0.05528 0.99597 1.18912 0.00015 -0.19334 1.45893 -0.49353 0.00011 0.86215 1.15290 0.00038 0.56262 0.25655 0.00046 0.34960 0.21427 0.95686 0.00030 -0.16292 0.69032 -0.20734 0.00006 -0.13545 0.14290 0.07615 -0.13802 -0.69722 0.00193 -0.79094 -0.17502 -1.22370 0.03301 -0.08271 0.01923 0.07582 0.07735 0.00199 0.00005 0.00110 0.00050 0.00258 -0.00145 -0.00807 -0.00308 -0.00846 0.01419 0.06087 0.02998 0.04165 0.00001 0.00001 -0.01742 0.13208 0.00003 0.01949 0.00001 0.10489 0.00028 0.05101 0.94566 0.19594 0.00496 1.54006 -0.67480 -0.47895 0.00037 -1.34682 -1.96483 -0.00070 -0.21361 -0.91851 -0.00140 1.05958 -0.40453 0.04406 -0.00088 -0.40893 0.36033 -0.30176 -0.00016 -0.01869 0.02937 -0.03181 0.01652 0.05843 -0.00010 0.13613 -1.72871 0.22090 -0.03736 -0.08506 0.06588 0.04133 -0.06010 -0.00160 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00008 0.10249 -0.06863 0.00001 0.00003 -0.05799 0.00002 -0.06508 -0.00005 0.19749 -0.00005 -0.00014 0.00024 1.98331 -0.00694 -0.00149 0.00049 1.06469 -0.00043 -0.00037 1.17114 -0.00076 0.00090 -0.69932 0.00013 0.00023 0.00005 -0.52652 0.00006 0.00014 -0.00006 -0.09997 0.00001 -0.00006 0.00005 -0.00013 -0.00132 -1.37084 -0.00224 -0.00020 0.00029 -0.00010 -0.00003 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00028 0.60044 -0.00351 -0.00067 -0.00063 -0.09689 -0.02754 0.07292 -0.02548 0.00996 -0.01852 -0.00001 0.00000 -0.00456 0.00210 0.00001 -0.00402 0.00001 0.02528 0.00001 -0.03561 0.06630 0.02768 0.00002 0.00648 -0.00742 0.02663 -0.00002 -0.01373 0.02202 0.00001 -0.01665 0.02389 0.00004 -0.04420 -0.00005 -0.04902 0.00000 -0.00224 -0.05122 -0.00709 -0.00001 0.03350 -0.06085 0.01428 0.11692 0.01873 0.00002 -0.01430 -0.00828 0.03378 -0.01110 -0.93967 -0.80250 1.09398 0.61574 -0.00169 -0.00001 -0.00004 0.43407 -0.00235 -0.00037 -0.00089 -0.12201 -0.03458 0.09226 -0.03288 0.01295 -0.02410 -0.00002 0.00000 -0.00588 0.00282 0.00001 -0.00547 0.00001 0.03418 0.00001 -0.04502 0.08581 0.03737 0.00004 0.00994 -0.00547 0.03996 -0.00002 -0.02155 0.02913 0.00001 -0.02248 0.03747 0.00006 -0.05784 0.00174 -0.07029 0.00000 -0.00278 -0.08485 -0.00252 -0.00002 0.05581 -0.09732 0.01489 0.18949 0.03002 0.00004 -0.02696 -0.01140 0.06561 -0.02047 1.02014 0.88503 -1.21022 -0.68470 0.00316 0.00017 -0.00165 0.01936 -0.00132 -0.00056 0.00445 0.34483 0.09749 -0.26288 0.10199 -0.04305 0.07656 0.00005 0.00000 0.01797 -0.00913 -0.00002 0.02328 -0.00002 -0.11716 -0.00005 0.07839 -0.18957 -0.13826 -0.00033 -0.07033 -0.12369 -0.25968 0.00012 0.15720 -0.07063 -0.00003 0.07341 -0.27168 -0.00051 0.16082 -0.04799 0.33920 0.00001 -0.02611 0.77710 -0.22573 0.00018 -0.54843 0.96209 0.06687 -1.77604 -0.28129 -0.00057 0.36893 0.05695 -1.03280 0.33309 -0.20350 -0.27500 0.37336 0.20375 -0.01817 -0.00213 0.00946 -0.02426 0.00680 0.00331 0.02035 0.21301 0.01904 -0.19750 0.08024 -0.02007 0.06256 0.00004 0.00000 0.02492 -0.01649 -0.00001 -0.03137 -0.00006 -0.55775 -0.00024 1.73077 -2.06969 -0.75584 0.00237 0.48620 1.73118 1.07899 -0.00031 -1.21428 -0.08735 0.00002 0.00179 -0.21192 -0.00021 0.43174 1.06418 2.63011 0.00108 0.89916 -0.70163 2.42599 0.00005 1.39917 -4.51634 -1.50020 5.69940 0.21151 0.00333 -1.71797 -0.58524 4.62337 -2.47255 0.14370 0.60642 -0.88238 -0.42266 0.19695 -0.00011 -0.00019 0.00022 -0.00050 0.00009 0.00367 0.05020 -0.15380 -0.16888 -0.30905 -0.00113 -0.31567 -0.00023 0.00002 -0.15847 0.02602 0.00001 0.00006 0.00002 -0.10819 -0.00008 0.06039 0.12810 0.24074 -0.00012 -0.01010 -0.17318 -0.31141 0.00014 0.17504 0.00355 -0.00003 -0.03523 -0.48542 -0.00096 -0.33897 -0.19662 0.28075 0.00034 0.40356 -0.41108 0.73327 0.00010 0.04846 0.03232 -0.42405 0.04288 -0.15838 0.00001 0.08730 0.00434 -0.04795 -0.10452 0.02661 -0.01066 -0.00079 0.01850 0.01088 0.00006 -0.00010 -0.00002 0.00003 0.00014 -0.00145 -0.04414 -0.03345 -0.06971 0.33073 0.12732 -0.25975 -0.00026 0.00004 -0.08411 -0.27548 -0.00010 -0.08590 -0.00013 -0.10371 0.00015 0.02845 -0.01772 -0.16298 0.00131 0.27113 0.53078 -0.38179 0.00027 -0.22639 0.01499 -0.00005 0.03313 -0.12318 -0.00009 -0.56402 -0.09609 -0.42953 -0.00005 -0.01671 -0.16865 -0.15838 0.00001 -0.15982 0.34819 0.17700 -0.16895 -0.07224 0.00019 -0.09136 -0.08654 0.26525 0.01782 -0.00686 -0.00491 0.00066 -0.00631 -0.00440 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00010 0.00004 -0.00023 0.22327 -0.04475 0.00000 -0.00007 0.41036 -0.00001 0.53174 -0.00005 -0.31424 -0.00003 0.00000 -0.00008 -0.02816 0.00027 0.00018 -0.00023 -0.34488 -0.00001 -0.00024 0.30100 -0.00004 0.00146 -0.78102 0.00000 -0.00002 -0.00014 0.26576 -0.00025 -0.00003 -0.00003 -0.02725 -0.00002 0.00008 0.00002 -0.00006 -0.00005 -0.00870 -0.00007 -0.00001 0.00011 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00007 0.00408 -0.00272 0.00806 -0.00428 -0.02099 0.00744 -0.01965 0.02817 -0.03691 0.04068 -0.01815 -0.00001 0.00001 0.00619 0.00777 0.00002 0.02610 0.00002 -0.15222 0.00010 1.38858 1.25547 0.14404 0.00243 0.52132 0.82277 1.14384 0.00000 -1.47913 -2.23851 -0.00081 -0.94143 -1.56814 -0.00285 1.66782 -0.89047 0.61586 -0.00042 0.51140 1.06257 -0.91487 -0.00031 -0.24944 -0.00787 -0.09457 1.81252 -1.52467 0.00232 -0.47678 -2.10866 0.89333 -0.31840 -0.17751 0.31152 0.00578 -0.23350 0.01463 0.00102 -0.00185 0.00447 0.00001 -0.00327 -0.02757 0.03064 0.02909 -0.02695 0.05070 0.03191 -0.04313 -0.00005 0.00002 0.03770 -0.08478 -0.00005 -0.03985 -0.00007 -0.10870 0.00039 -0.24922 0.78471 0.42351 0.00162 0.13544 1.03637 0.15053 -0.00035 2.22278 0.53389 0.00077 1.73816 2.50289 0.00428 0.14323 -0.86410 0.85089 0.00288 3.79274 1.02222 -1.32114 0.00029 -1.51080 0.15064 0.23177 0.90436 0.32392 -0.00234 1.21465 0.25989 -3.94261 1.18018 -0.01734 -0.01497 0.24447 0.05632 -0.09015 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00002 0.00001 -0.00006 0.06313 -0.00432 0.00001 -0.00002 0.14925 -0.00001 0.39840 -0.00006 -0.62112 -0.00014 0.00024 -0.00007 -0.94928 0.00355 0.00101 0.00002 0.08886 0.00057 0.00056 -0.84559 0.00094 -0.00190 1.51559 -0.00025 -0.00019 0.00048 -1.06024 0.00182 0.00017 -0.00016 -0.34458 -0.00050 -0.00021 0.00006 0.00041 0.00022 -0.12025 0.00023 0.00002 -0.00104 0.00025 0.00002 0.00000 0.00004 0.00002 -0.00002 0.00000 0.00308 0.00343 0.60033 0.00080 -0.00617 -0.08512 0.07791 0.00414 0.04129 -0.01728 0.00880 0.00000 0.00000 0.01459 -0.01963 -0.00001 0.01848 0.00000 -0.00997 -0.00001 0.05336 -0.02187 0.04413 -0.00003 -0.00713 0.00107 -0.00078 0.00001 0.04041 -0.05659 -0.00002 -0.01011 -0.00987 -0.00001 0.01889 0.00132 0.00120 0.00000 0.01643 -0.05264 0.05876 0.00001 -0.00114 0.02793 0.02054 -0.04536 0.08618 0.00003 -0.07627 0.05203 -0.03972 -0.00607 -0.95795 0.23775 0.16579 -1.44972 0.00077 0.00001 0.00244 0.00269 0.43396 0.00064 -0.00862 -0.10642 0.09753 0.00545 0.05250 -0.02122 0.01154 0.00001 0.00000 0.01875 -0.02568 -0.00001 0.02393 0.00000 -0.01172 -0.00002 0.07217 -0.03024 0.06125 -0.00003 -0.00811 0.00114 0.00123 0.00001 0.05365 -0.07307 -0.00003 -0.01219 -0.00501 0.00000 0.02587 0.00362 -0.00423 0.00000 0.02084 -0.08416 0.08959 0.00001 0.00047 0.04301 0.02759 -0.07538 0.14221 0.00004 -0.12360 0.08511 -0.06599 -0.00816 1.03793 -0.26175 -0.18307 1.60919 -0.00148 -0.00002 -0.00143 -0.00117 0.02014 -0.00061 0.03628 0.29306 -0.26513 -0.01754 -0.14633 0.04046 -0.03592 -0.00002 0.00000 -0.05704 0.08320 0.00003 -0.07137 -0.00001 -0.00500 0.00006 -0.24239 0.10429 -0.25404 -0.00007 -0.02392 -0.00422 -0.07840 0.00003 -0.14535 0.12121 0.00005 0.00146 -0.24671 -0.00050 -0.09523 -0.08478 0.19306 0.00005 -0.01604 0.69653 -0.62886 -0.00004 -0.06461 -0.36795 -0.06212 0.78645 -1.44093 -0.00030 1.20699 -0.86186 0.75082 0.04565 -0.20729 0.07770 0.06488 -0.51099 0.00489 -0.00027 0.00936 0.00667 -0.02732 0.00066 0.05417 0.10774 -0.09045 -0.02587 -0.11045 0.18852 -0.01354 -0.00001 -0.00001 -0.00841 0.05106 0.00001 -0.10759 -0.00003 0.27787 0.00016 -0.93389 0.20790 -0.37086 0.00095 0.44066 -0.62434 -0.38442 -0.00074 -0.71239 4.66709 0.00182 1.39492 1.92235 0.00341 -0.35375 0.37971 -0.72789 0.00019 -0.41775 -0.79549 0.00831 -0.00010 -0.12700 1.74649 -2.08067 -3.28677 5.09401 0.00236 -5.32317 2.60945 -3.87906 0.74901 0.17714 -0.09883 -0.08769 1.23337 -0.07588 -0.00020 -0.00055 0.00074 0.00069 0.00008 0.03676 -0.04667 -0.18687 0.32684 0.22805 0.11719 0.12277 0.00009 0.00000 0.10359 -0.10805 0.00002 0.04170 -0.00003 -0.12839 0.00006 -0.21791 -0.03437 -0.11961 -0.00045 -0.15094 0.18224 0.01287 -0.00001 -0.13370 -0.03907 0.00003 0.01743 -0.21375 -0.00039 0.49273 -0.27157 -0.11474 -0.00004 0.26286 -0.16095 0.39916 -0.00008 0.16760 -0.20293 -1.07666 -0.29785 -0.18300 -0.00013 0.17936 0.11084 -0.00081 0.05191 0.00548 -0.04417 0.04016 -0.01288 0.00472 0.00002 0.00005 -0.00019 0.00076 -0.00008 0.00165 0.04775 -0.02504 -0.06703 0.02823 0.04279 -0.20743 -0.00021 0.00001 0.08752 -0.01224 -0.00010 0.52251 0.00005 -0.42373 -0.00006 -0.16936 -0.00288 0.14108 0.00037 0.15418 -0.08912 0.03702 0.00003 0.00139 0.12742 -0.00015 -0.42881 0.04696 0.00005 0.24301 0.64496 -0.30273 0.00036 0.34699 0.15068 -0.18734 0.00003 -0.11621 -0.02987 0.02616 0.09656 0.00204 -0.00005 0.01607 0.11298 -0.05319 0.04684 0.00201 0.00797 -0.00267 -0.00797 -0.00281 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00003 0.00001 0.00001 -0.00017 0.17144 0.13970 0.00001 0.00000 0.45092 0.00012 -0.21533 -0.00004 0.62013 0.00009 -0.00008 0.00010 -0.09338 0.00020 0.00002 -0.00022 -0.36240 0.00005 0.00001 0.16889 -0.00016 -0.00013 0.05115 -0.00012 0.00021 0.00013 -0.81899 0.00059 0.00004 -0.00003 -0.13325 -0.00010 -0.00002 0.00012 0.00006 -0.00004 -0.09207 -0.00011 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00343 0.01661 -0.01099 -0.00143 -0.00298 0.06063 0.01670 0.00687 -0.03476 -0.04120 0.05091 -0.00034 -0.00001 -0.00001 0.02371 0.02347 0.00001 0.05413 -0.00005 -0.40102 -0.00008 1.87953 0.19330 -0.34187 0.00362 0.99382 1.15272 0.99821 -0.00051 -2.84238 1.68290 0.00036 -0.61388 -1.35963 -0.00248 0.30988 1.88042 3.90931 0.00024 -1.18030 0.67190 2.44845 0.00021 0.93506 -0.91095 -2.32108 2.95733 0.56849 0.00784 -5.33793 -1.73628 2.63429 -3.06282 -0.09642 0.65625 -0.52322 0.20455 0.25950 0.00001 -0.00154 0.00123 -0.00401 0.00145 0.01479 -0.02475 0.00400 0.00234 0.01335 -0.00270 -0.02782 -0.00003 0.00000 -0.02646 0.00533 -0.00003 0.26403 0.00004 -0.34223 -0.00024 -0.51421 -0.30318 0.00845 -0.00240 -0.49379 -0.73163 -0.38918 0.00005 -0.25313 0.45009 0.00003 -0.14069 -0.00755 0.00011 -0.56123 -0.83487 -0.52339 -0.00242 -3.08052 -0.83469 0.40548 -0.00062 1.56504 0.63253 0.27224 -1.63058 0.47953 -0.00004 -0.24790 0.08124 0.42463 0.06603 0.06239 -0.12690 0.00911 0.10691 -0.00766 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00974 0.00908 -0.00001 -0.00001 0.15903 0.00006 -0.20719 0.00000 0.86207 -0.00005 -0.00022 0.00011 0.50906 -0.00210 -0.00070 0.00005 0.30031 0.00004 -0.00033 0.29371 -0.00034 0.00030 -0.29913 0.00026 -0.00042 -0.00076 2.38020 -0.00223 -0.00022 -0.00019 1.18476 0.00079 0.00034 0.00010 -0.00052 0.00025 0.62117 0.00110 0.00018 0.00018 0.00012 0.00001 -0.00006 0.00003 -0.00002 -0.00001 -0.00001 0.60026 0.00028 -0.00322 0.00005 -0.07212 -0.03432 0.06868 -0.05596 -0.03163 0.04336 -0.00009 0.00000 0.00000 -0.00928 0.00334 0.00000 -0.00994 0.00000 0.00205 0.00002 -0.03581 0.02945 -0.02556 0.00006 0.01092 0.03461 0.03860 -0.00002 -0.05884 0.03004 0.00002 0.00050 0.03053 0.00005 0.03452 0.01691 0.01844 0.00000 0.00432 -0.07788 0.02674 0.00001 0.00301 0.00479 0.01693 -0.04736 -0.04384 -0.00013 0.11217 0.01374 -0.00425 0.01158 -1.07868 0.91347 -0.69927 0.78482 0.00896 0.00014 0.43410 0.00036 -0.00207 0.00010 -0.08976 -0.04360 0.08649 -0.07054 -0.04012 0.05606 -0.00017 0.00000 0.00000 -0.01203 0.00402 0.00000 -0.01318 -0.00001 0.00447 0.00002 -0.04999 0.03952 -0.03205 0.00008 0.01463 0.04715 0.05501 -0.00003 -0.07760 0.03680 0.00002 0.00008 0.05011 0.00009 0.04630 0.02674 0.02351 0.00001 0.00611 -0.12644 0.03327 0.00001 0.00448 0.00815 0.02970 -0.07843 -0.06875 -0.00022 0.18181 0.02416 -0.00966 0.00837 1.17348 -1.00950 0.77501 -0.87442 -0.01546 -0.00032 0.01972 -0.00158 -0.00179 -0.00063 0.26313 0.13130 -0.24354 0.19641 0.11585 -0.19501 -0.00458 0.00000 0.00000 0.03540 -0.00545 -0.00001 0.04495 0.00002 -0.06850 -0.00009 0.17696 -0.12753 0.01455 -0.00032 -0.05483 -0.15571 -0.26719 0.00012 0.18665 0.00890 -0.00004 0.01405 -0.44803 -0.00082 -0.13264 -0.19667 -0.01099 -0.00003 -0.03123 1.10799 -0.01119 -0.00005 -0.02599 -0.09093 -0.38132 0.79643 0.60486 0.00223 -1.82812 -0.30539 0.17537 -0.10570 -0.23589 0.31570 -0.24632 0.27817 0.00856 0.00628 -0.02798 0.00913 0.01187 0.00383 -0.00780 0.02979 -0.10990 0.11865 0.11221 -0.19554 -0.00161 0.00001 0.00001 -0.00622 -0.03643 0.00000 0.00068 0.00006 0.46915 -0.00003 -0.47530 -0.55741 1.16082 -0.00274 -0.77538 -1.13499 -0.71447 0.00068 3.22867 -3.09219 -0.00092 0.11684 1.54720 0.00291 -0.74368 -1.42935 -3.80256 -0.00013 0.98270 -0.78006 -1.24550 0.00028 -0.74092 0.25133 3.92177 -2.12412 -3.07333 -0.01057 8.96337 1.00872 -0.73529 4.34173 0.16849 -0.81618 0.66548 -0.83189 -0.41229 -0.00016 0.00103 0.00040 0.00112 0.00004 0.22977 -0.14583 0.25178 -0.16599 -0.00975 -0.33697 -0.12901 -0.00006 0.00006 -0.05537 0.03314 0.00001 -0.02901 -0.00006 0.08729 -0.00001 0.06593 0.07862 0.05073 0.00046 0.11588 0.06445 0.12352 -0.00009 -0.03265 -0.00752 0.00005 -0.03532 0.42724 0.00087 -0.30121 0.10783 -0.41781 -0.00013 -0.20336 0.54408 0.29609 -0.00008 0.21611 -0.14385 -1.08429 -0.22738 -0.24946 -0.00008 0.17162 -0.03070 0.02816 0.44850 -0.04412 -0.00126 0.01663 -0.03901 -0.01838 -0.00001 -0.00025 0.00001 -0.00005 -0.00007 -0.01907 0.00158 0.00286 -0.01957 0.01147 0.03067 -0.20613 -0.00024 -0.00003 0.40827 0.10799 -0.00001 0.27878 0.00010 0.63329 0.00007 0.03632 -0.05995 -0.18269 0.00010 -0.00260 0.13593 -0.32738 0.00020 -0.00273 0.07374 -0.00029 -0.51980 0.26162 0.00036 0.06199 -0.41454 0.26914 -0.00002 0.04000 -0.02734 0.01165 -0.00005 0.05987 0.02825 -0.03099 0.01113 0.00116 0.00006 -0.04060 -0.04570 -0.01966 -0.03810 -0.00079 0.00286 0.00196 0.00132 0.00210 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00002 -0.00003 0.00002 0.00001 0.00005 -0.00017 0.22916 0.40789 0.00007 0.00004 0.06326 0.00007 -0.44927 0.00009 -0.59841 -0.00007 0.00005 -0.00006 0.03988 -0.00004 0.00004 -0.00018 -0.24923 0.00004 -0.00019 0.57100 -0.00034 -0.00081 0.43858 0.00006 -0.00013 0.00003 0.28574 -0.00014 -0.00005 -0.00006 0.09720 0.00002 0.00003 0.00012 0.00002 0.00004 0.01563 0.00000 0.00000 -0.00001 -0.00005 0.00000 0.00000 0.00000 0.00000 0.00000 0.00161 0.00694 -0.00087 -0.00515 -0.00095 -0.00804 -0.00739 0.01360 0.00408 -0.01076 0.15200 0.04250 0.00003 0.00000 0.04591 -0.00111 0.00000 0.01079 -0.00002 -0.05829 -0.00016 0.94080 0.15101 0.16351 0.00166 0.55412 -0.22099 -0.01455 -0.00029 -1.30357 2.27867 0.00083 0.54955 -0.28355 -0.00073 1.15477 -0.68194 -0.14650 -0.00012 0.20020 -0.23682 -0.67485 -0.00038 -0.05182 0.12740 -1.22122 0.01044 1.33779 0.00265 -2.71363 0.07474 -0.43926 1.29895 -0.03512 0.16181 -0.13187 0.31972 -0.17109 -0.00035 0.00156 -0.00079 0.00127 -0.00030 0.00065 0.01122 -0.00763 -0.00344 0.00063 0.00423 -0.04712 -0.00005 -0.00001 0.11572 0.02206 0.00000 0.04791 0.00003 0.47087 0.00014 0.25392 0.14057 -0.11051 0.00094 0.17603 0.31908 0.54126 -0.00030 -0.06189 -0.16189 0.00053 1.03034 -0.60390 -0.00096 0.03897 1.03473 0.10258 0.00118 1.30681 0.28456 0.09440 0.00085 -1.56165 -0.52865 -0.41510 0.81007 -0.13560 0.00031 -0.15066 0.19955 -0.02888 -0.28399 -0.03071 0.06402 -0.03644 -0.01941 0.02926 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00005 0.05777 0.10006 0.00001 0.00001 -0.00950 0.00001 -0.14817 0.00008 -0.67084 -0.00020 0.00011 -0.00007 -0.22666 0.00086 0.00026 0.00024 0.34346 0.00020 0.00005 -1.00833 0.00070 0.00141 -0.67561 -0.00031 0.00032 0.00015 -1.43191 0.00122 0.00007 0.00021 -1.52666 -0.00095 -0.00024 0.00027 0.00012 -0.00044 -0.47772 -0.00014 0.00001 -0.00013 -0.00002 0.00001 -0.00003 0.00002 -0.00004 0.00001 0.00001 -0.00022 -0.00026 -0.00011 -0.00042 0.00023 0.04933 0.07939 0.10157 0.01224 0.04018 -0.10030 -0.17825 0.11716 -0.07629 0.09626 0.09723 -0.01546 0.08013 0.01065 -0.04675 -0.00398 -0.00528 0.06611 0.12266 -0.04011 0.05571 -0.03204 0.05578 -0.00280 0.02938 0.03768 -0.01274 -0.08666 0.02273 0.01593 -0.00305 0.07475 -0.09986 -0.06146 0.13855 -0.05101 -0.12635 -0.01935 0.19990 -0.15175 0.12067 0.72306 1.04032 0.52739 0.22019 0.42322 -0.00418 0.01878 0.01349 0.00909 -0.00434 -0.00007 -0.00014 0.00111 0.00046 0.00030 0.00377 0.00183 -0.00663 0.01161 0.03007 0.00355 0.02956 -0.06593 -0.12086 0.08673 -0.05507 0.06752 0.10183 -0.03531 0.12201 0.14472 -0.04049 -0.30547 -0.37144 1.27738 1.65816 -0.27116 0.95560 0.06003 0.20251 -0.16308 0.43973 0.15735 0.16501 0.00898 -0.01353 0.19974 0.08338 0.68673 -0.40454 -0.19884 0.54070 -0.12847 0.01278 0.15134 -1.34629 0.39746 -0.54995 -0.83055 -1.90105 -0.91130 0.23607 -0.13059 -0.10448 -0.07833 -0.09805 -0.11482 0.00974 0.00993 0.00001 -0.00022 -0.00026 -0.00011 -0.00042 0.00023 0.04933 0.07939 0.10157 0.01228 0.04021 -0.10063 0.17803 -0.11713 -0.07629 0.09638 -0.09720 -0.01546 -0.08010 0.01067 0.04671 -0.00395 -0.00527 0.06612 -0.12288 -0.03929 0.05588 -0.03210 -0.05573 -0.00275 0.02935 -0.03767 -0.01270 -0.08661 -0.02308 0.01600 -0.00311 0.07467 0.09984 -0.06161 0.13850 -0.05107 0.12641 -0.01916 0.19981 -0.15172 0.12077 0.72125 -1.04315 0.52428 0.21990 0.42336 -0.00425 0.01877 0.01349 0.00909 -0.00433 -0.00007 -0.00014 0.00111 0.00046 0.00030 0.00377 0.00183 -0.00663 0.01162 0.03006 0.00357 0.02958 -0.06615 0.12071 -0.08670 -0.05508 0.06760 -0.10179 -0.03532 -0.12197 0.14487 0.04028 -0.30530 -0.37111 1.27733 -1.65903 -0.25978 0.95807 0.05954 -0.20252 -0.16263 0.43988 -0.15702 0.16566 0.00936 0.01356 0.19965 0.08317 0.68671 0.40464 -0.19926 0.54063 -0.12838 -0.01278 0.15126 -1.34611 0.39740 -0.54997 -0.82731 1.90525 -0.90554 0.23654 -0.13101 -0.10432 -0.07831 -0.09804 -0.11481 0.00972 0.00992 0.00002 -0.00023 -0.00008 -0.00024 -0.00036 0.00000 0.04955 0.07111 0.09185 -0.12071 -0.02663 -0.03120 0.00004 -0.00002 0.06630 -0.25549 -0.00004 -0.00338 -0.00003 -0.00624 0.00004 -0.05682 -0.01974 -0.01226 0.00052 0.16209 -0.04815 -0.05375 0.00001 -0.03684 -0.04176 0.00000 0.06588 0.00502 0.00003 -0.00764 -0.06665 0.10151 -0.00007 -0.10393 0.11896 -0.07996 -0.00007 0.12565 0.14935 0.01674 0.29517 -0.49160 0.00037 -0.07550 1.36790 0.03054 0.02900 0.01925 0.00867 0.01362 0.00526 -0.00108 -0.00011 0.00125 -0.00078 0.00149 0.00337 -0.00211 -0.00292 0.00108 0.03770 -0.04712 -0.00108 -0.00807 0.00003 -0.00001 0.03630 -0.17403 -0.00003 -0.05007 -0.00005 0.22563 0.00032 -0.39291 -0.22336 0.30594 0.00669 2.06889 -0.48721 0.34239 0.00003 -0.62319 -1.12223 -0.00033 -0.16072 -0.80729 -0.00133 0.76860 -0.48339 0.47700 -0.00073 -0.49293 0.32554 0.01795 -0.00007 0.22072 -1.44080 0.05000 -0.60689 1.13748 -0.00100 0.22147 -2.10750 0.77883 -0.18468 -0.07855 -0.05500 -0.13750 -0.05272 0.01089 0.00008 -0.00038 -0.00010 -0.00037 -0.00035 -0.00032 0.07757 0.02982 -0.09698 0.20922 0.04146 -0.05608 -0.00004 0.00001 -0.01538 -0.16676 0.00000 -0.10297 0.00002 0.09750 -0.00005 0.01282 0.06098 -0.00174 -0.00041 -0.10179 -0.05522 -0.02945 0.00001 -0.03382 0.06054 -0.00002 -0.10310 -0.18653 -0.00038 -0.04884 0.04999 -0.01726 -0.00006 -0.14556 0.08200 0.02231 0.00005 0.11924 -0.37160 0.02911 0.41005 0.30304 -0.00094 0.43993 0.06574 -1.35093 0.20918 0.02774 0.00473 0.01267 0.00691 -0.00789 -0.00062 0.00171 0.00009 0.00058 0.00141 0.01627 -0.00466 -0.00550 -0.02350 0.11475 0.02868 -0.04667 -0.00003 0.00000 -0.04170 -0.12434 0.00000 -0.14103 0.00000 0.49343 -0.00022 0.11778 0.40689 0.15484 -0.00289 -0.52447 -1.37781 0.49514 -0.00010 -1.37459 -0.12115 -0.00047 -1.65420 -1.94852 -0.00371 0.19909 0.68743 -0.45938 -0.00157 -2.19210 -0.22748 0.47562 -0.00012 0.48743 0.95272 -0.14718 -1.52942 -0.90766 0.00290 -1.39234 -0.25710 3.39134 -0.80682 -0.07622 -0.01376 -0.06449 0.00206 0.05299 1 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 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 H 1S 2S 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 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|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 H 1S|2S|7 H 1S|2S|8 H 1S|2S|9 H 1S|2S 1.13262 0.85903 0.99362 0.84335 1.06358 1.24745 1.03661 0.20274 0.41460 0.35849 1.17423 0.81436 0.73203 0.70264 0.89083 0.91802 0.91719 0.15296 0.19149 0.19729 1.17459 0.81412 0.77125 0.51155 0.91985 0.94334 0.65659 0.03930 0.10631 0.20960 1.17428 0.81428 0.73158 0.31197 0.89544 0.95008 0.77309 0.00629 0.26779 0.19188 1.17459 0.81397 0.79244 0.17725 0.93427 0.87091 0.68614 0.07449 0.18830 0.14732 0.50213 0.26133 0.50214 0.26133 0.50761 0.23687 0.51046 0.25214 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 O C C C C H H H H -0.152094 -0.691028 -0.146508 -0.116669 0.140317 0.236533 0.236527 0.255519 0.237402 0.00000 -1.59879138e+00 2.43933364e-01 1.27046228e-04 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -4.0637 0.6200 0.0003 4.1107 -30.6600 -28.4328 -28.9227 -0.2031 0.0004 0.0003 -1.3215 0.9057 0.4158 -0.2031 0.0004 0.0003 -22.0224 3.3420 0.0009 1.7787 0.9918 0.0035 4.2166 0.7724 0.0016 -0.0012 -665.2676 -57.4709 -35.0036 -17.9549 0.0202 -19.7532 -0.0008 0.0167 -0.0022 -114.6503 -103.2183 -17.4051 -0.0002 0.0040 -6.2351 0 -229.6722321 4.093E-9 1.169E-4 -0.9824963,0.6733319,0.3091644,-0.1509695,0.0003233,0.0002104 C01 [X(C4H4O1)] -1.5987914 0.2439334 0.000127 @ 0.000468303 -0.000049252 -0.000001608 -0.000069665 0.000009690 -0.000008078 -0.000100042 -0.000003178 0.000019112 0.000058856 -0.000020212 -0.000010486 -0.000352389 0.000045036 0.000005520 -0.000002258 -0.000012457 -0.000014463 0.000000278 -0.000011687 0.000016280 0.000006316 0.000027664 0.000000531 -0.000009400 0.000014396 -0.000006806 64.04220000000001 AuxInfo=1/0/N:2,3,4,5,1/CRV:2.3,3.2,4.2,5.1/rA:9O1CC3C2C2HHHH/rB:;s2;s3;s1s4;s2;s2;s2;s3;/rC:;;;;;;;;; Gaussian 09 GINC-KIMIK2100 CBGUSER 000144878 EM64L-G09RevD.01 21-Jul-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 21 C1[X(C4H4O)] RPBEPBE SDD Freq #p freq=noraman PBEPBE/SDD 64.04220000000001 0 1 AuxInfo=1/0/N:2,3,4,5,1/CRV:2.3,3.2,4.2,5.1/rA:9O1CC3C2C2HHHH/rB:;s2;s3;s1s4;s2;s2;s2;s3;/rC:;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-30666.inp" -scrdir="/scratch/" chk=000144878-Freq.chk nprocshared=8 mem=21GB #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 000144878 1 2 3 4 5 6 7 8 9 16 12 12 12 12 1 1 1 1 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 1 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| 0.000472 0.000117 0.005021 0.001824 0.000450 0.000300 0.001800 0.001200 NO YES NO NO -2.900141e-07 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 133.7217894183 58 136 58 18 18 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 64.04220000000001 AuxInfo=1/0/N:2,3,4,5,1/CRV:2.3,3.2,4.2,5.1/rA:9O1CC3C2C2HHHH/rB:;s2;s3;s1s4;s2;s2;s2;s3;/rC:;;;;;;;;; 0.000000 5.021190 0.000000 3.832739 1.507574 0.000000 2.516014 2.538176 1.350708 0.000000 1.222536 3.823148 2.611446 1.297718 0.000000 5.710539 1.108716 2.156475 3.258926 4.519451 0.000000 5.710826 1.108708 2.156517 3.259096 4.519699 1.771661 0.000000 4.940910 1.099945 2.171612 2.695662 3.841613 1.801393 1.801423 0.000000 4.324926 2.218402 1.106801 2.127418 3.168677 2.561955 2.561729 3.129686 0.000000 C4H4O C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 64.04220000000001 AuxInfo=1/0/N:2,3,4,5,1/CRV:2.3,3.2,4.2,5.1/rA:9O1CC3C2C2HHHH/rB:;s2;s3;s1s4;s2;s2;s2;s3;/rC:;;;;;;;;; 45.3774423 2.0686672 2.0032811 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= 741 NPrTT= 3858 LenC2= 721 LenP2D= 2907. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 58 RedAO= T EigKep= 2.66D-03 NBF= 58 NBsUse= 58 1.00D-06 EigRej= -1.00D+00 NBFU= 58 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= 57 57 57 57 57 MxSgAt= 9 MxSgA2= 9. 1 Closed 1 0 1 -229.566662784632 -229.604467495152 -0.037804710521 -229.647812790343 -0.043345295191 -229.245558949767 0.402253840577 -229.622881177582 -0.377322227816 -229.671487771891 -0.048606594308 -229.672043059777 -0.000555287887 -229.672210825802 -0.000167766024 -229.672224153755 -0.000013327953 -229.672228020069 -0.000003866314 -229.672235997150 -0.000007977081 -229.672236011831 -0.000000014682 -229.672235988995 0.000000022837 -229.672236018580 -0.000000029585 -229.672236018850 -0.000000000270 -229.672236018891 -0.000000000041 -229.672236018894 -0.000000000003 -229.672236018896 -0.000000000003 -229.672236019 18 2.284793700040e+02 -8.030764525066e+02 2.112030570653e+02 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=2371876. IVT= 29568 IEndB= 29568 NGot= 2818572288 MDV= 2817078105 LenX= 2817078105 LenY= 2817074300 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= 1711 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. Using compressed storage, NAtomX= 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= 2818572136 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=2343457. 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= 1711 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. 27 vectors produced by pass 0 Test12= 2.40D-15 3.33D-09 XBig12= 4.02D+02 1.72D+01. AX will form 27 AO Fock derivatives at one time. 27 vectors produced by pass 1 Test12= 2.40D-15 3.33D-09 XBig12= 2.10D+02 3.30D+00. 27 vectors produced by pass 2 Test12= 2.40D-15 3.33D-09 XBig12= 5.72D-01 1.60D-01. 27 vectors produced by pass 3 Test12= 2.40D-15 3.33D-09 XBig12= 1.92D-04 4.57D-03. 16 vectors produced by pass 4 Test12= 2.40D-15 3.33D-09 XBig12= 3.69D-08 4.98D-05. 4 vectors produced by pass 5 Test12= 2.40D-15 3.33D-09 XBig12= 4.21D-12 4.33D-07. InvSVY: IOpt=1 It= 1 EMax= 2.66D-15 Solved reduced A of dimension 128 with 30 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 49.68 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 94.823 5.318 30.776 0.001 0.001 23.439 271.337 27.412 47.368 0.006 0.002 32.926 (Enter /mnt/data/applications/G09/g09/l716.exe) PT54.800S 2017-07-21T23:25:28.000+02:00 -18.81358 -10.00829 -9.97015 -9.92276 -9.91645 -1.00176 -0.74886 -0.68009 -0.59232 -0.46730 -0.42230 -0.39897 -0.39628 -0.37990 -0.36418 -0.35205 -0.26353 -0.19508 -0.12737 0.01203 0.07195 0.08462 0.08962 0.12040 0.14557 0.14687 0.16336 0.23277 0.23460 0.24947 0.26414 0.26720 0.27588 0.34411 0.34708 0.38838 0.41406 0.44399 0.45220 0.46834 0.60070 0.70872 0.76223 0.77570 0.85700 0.89743 0.94022 1.02507 1.04071 1.05362 1.09937 1.26360 1.63011 22.25297 22.54402 22.60454 22.72479 41.47186 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 O C C C C H H H H -0.152097 -0.691026 -0.146501 -0.116696 0.140329 0.236535 0.236529 0.255518 0.237410 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 O C C C C -0.152097 0.037555 0.090909 -0.116696 0.140329 0.00000 1.58168124e+00 3.37623172e-01 4.42845781e-05 9.48230347e+01 5.31838818e+00 3.07758222e+01 1.49301368e-03 5.97069832e-04 2.34393854e+01 -7.3632 -6.5312 -0.0003 -0.0002 0.0004 32.4614 76.5681 129.1873 196.5899 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 76.5629 129.1812 196.5897 405.0858 438.4230 576.0794 775.9926 777.4328 1034.1670 1043.6386 1114.6966 1312.9297 1377.2442 1449.5940 1452.2715 1695.4759 2199.2131 2966.5685 3013.2132 3036.6427 3124.8625 5.1289 1.3644 3.2505 5.4794 5.3034 6.3446 1.3020 2.8993 1.6202 1.9221 2.7886 1.3257 1.2115 1.0740 1.0482 9.3608 11.9522 1.0389 1.0876 1.0947 1.0989 0.0177 0.0134 0.0740 0.5298 0.6006 1.2406 0.4619 1.0324 1.0209 1.2335 2.0415 1.3464 1.3539 1.3297 1.3026 15.8542 34.0592 5.3868 5.8181 5.9476 6.3222 6.0301 1.0795 0.5399 21.8791 3.3010 25.3777 12.6936 5.0425 0.3066 33.4308 24.4035 46.0997 36.0083 17.6689 19.2274 2.4417 900.0434 4.8419 30.5246 13.3968 15.6527 8 6 6 6 6 1 1 1 1 -0.04 0.23 0.00 0.13 0.21 0.00 -0.09 -0.13 0.00 0.02 -0.46 0.00 -0.02 0.00 0.00 0.07 0.38 0.00 0.07 0.38 0.00 0.42 0.15 0.00 -0.38 -0.08 0.00 0.00 0.00 0.09 0.00 0.00 0.06 0.00 0.00 -0.07 0.00 0.00 -0.11 0.00 0.00 -0.03 -0.36 -0.33 0.41 0.36 0.33 0.41 0.00 0.00 -0.39 0.00 0.00 -0.06 0.00 0.00 0.17 0.00 0.00 0.07 0.00 0.00 0.14 0.00 0.00 -0.34 0.00 0.00 -0.15 0.26 0.24 -0.18 -0.26 -0.24 -0.18 0.00 0.00 0.37 0.00 0.00 0.59 -0.17 0.15 0.00 0.24 0.02 0.00 0.07 -0.16 0.00 -0.11 0.29 0.00 -0.07 -0.38 0.00 0.17 0.24 -0.01 0.17 0.24 0.01 0.60 -0.06 0.00 0.20 -0.17 0.00 0.09 0.20 0.00 -0.24 0.01 0.00 -0.04 0.22 0.00 0.09 -0.07 0.00 0.15 -0.43 0.00 -0.16 -0.22 0.00 -0.16 -0.22 0.00 -0.63 0.10 0.00 -0.14 0.22 0.00 0.00 0.00 0.19 0.00 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 0.31 0.00 0.00 -0.57 0.20 -0.20 -0.10 -0.19 0.20 -0.10 0.00 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 0.11 0.00 0.00 -0.09 0.00 0.00 0.06 0.32 -0.25 -0.11 -0.31 0.25 -0.12 0.00 0.00 -0.21 0.00 0.00 -0.76 -0.19 -0.02 0.00 0.20 -0.03 0.00 0.11 0.21 0.00 0.04 -0.10 0.00 -0.11 -0.01 0.00 0.30 -0.46 0.04 0.31 -0.46 -0.04 -0.41 0.09 0.00 -0.05 0.24 0.01 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 -0.18 0.00 0.00 0.04 0.00 0.00 0.00 0.48 -0.25 -0.15 -0.48 0.25 -0.15 0.00 0.00 -0.32 0.00 0.00 0.47 0.12 0.01 0.00 0.13 0.05 0.00 -0.15 -0.08 0.00 -0.11 0.07 0.00 0.03 0.00 0.00 0.16 -0.37 0.07 0.16 -0.37 -0.07 -0.37 0.14 0.00 -0.66 0.00 0.00 -0.08 -0.01 0.00 -0.09 0.22 0.00 0.19 -0.23 0.00 0.06 0.03 0.00 0.00 0.01 0.00 -0.05 -0.16 0.05 -0.05 -0.16 -0.05 -0.75 0.37 0.00 0.16 -0.23 0.00 -0.06 -0.01 0.00 -0.05 -0.05 0.00 0.10 -0.02 0.00 0.08 0.04 0.00 0.03 0.01 0.00 -0.02 0.17 -0.07 -0.02 0.17 0.07 0.08 -0.08 0.00 -0.93 0.14 0.00 0.00 0.00 0.00 0.12 -0.06 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.47 0.29 0.29 -0.47 0.29 -0.29 -0.45 0.07 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 -0.01 0.06 0.00 0.01 0.00 0.00 0.04 0.01 0.00 0.01 0.00 0.00 -0.33 -0.38 0.33 -0.33 -0.38 -0.33 0.51 -0.08 0.00 -0.08 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 0.47 -0.06 0.05 -0.47 -0.06 0.00 0.00 -0.73 0.00 0.00 -0.06 0.32 0.04 0.00 -0.06 0.02 0.00 0.50 0.09 0.00 -0.47 -0.13 0.00 -0.35 -0.06 0.00 -0.20 0.00 0.10 -0.20 0.00 -0.10 0.20 -0.03 0.00 -0.27 0.26 0.00 0.24 0.04 0.00 0.00 0.00 0.00 -0.16 -0.07 0.00 0.57 0.11 0.00 -0.73 -0.08 0.00 0.02 0.00 -0.04 0.02 0.00 0.04 -0.01 -0.01 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 -0.05 0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.14 0.53 0.35 0.14 -0.53 -0.09 -0.35 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.03 0.02 0.01 -0.03 -0.03 -0.11 0.00 0.15 0.98 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.16 0.55 -0.41 -0.16 0.55 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.08 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 -0.04 -0.21 -0.13 -0.04 0.21 -0.21 -0.90 0.00 -0.01 -0.09 0.00 298.150 1.00000 1 2 3 4 5 6 7 8 9 8 6 6 6 6 1 1 1 1 15.99491 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 68.02621 39.77177 872.41739 900.89266 0.99998 -0.00684 0.0 0.00684 0.99998 -1.0E-5 0.0 1.0E-5 1.0 asymmetric 1 2.17777 0.09928 0.09614 45.37744 2.06867 2.00328 168648.7 110.16 185.86 282.85 582.83 630.79 828.85 1116.48 1118.55 1487.93 1501.56 1603.80 1889.01 1981.54 2085.64 2089.49 2439.41 3164.17 4268.23 4335.34 4369.05 4495.97 0.064235 0.070137 0.071081 0.035142 -229.608001 -229.602099 -229.601155 -229.637094 44.012 18.422 75.642 0.000 0.000 0.000 0.889 2.981 38.570 0.889 2.981 24.950 42.234 12.460 12.122 1 0.599 1.965 3.977 2 0.612 1.924 2.958 3 0.636 1.845 2.165 4 0.770 1.459 0.944 5 0.799 1.386 0.832 6 0.932 1.083 0.493 0.685559e-16 -16.163955 -37.218883 0.240984e+14 13.381988 30.813165 0.491182e-28 -28.308758 -65.183323 1 0.269126e+01 0.429956 0.990011 2 0.157846e+01 0.198233 0.456449 3 0.101558e+01 0.006716 0.015463 4 0.438353e+00 -0.358176 -0.824732 5 0.394797e+00 -0.403627 -0.929385 6 0.265554e+00 -0.575848 -1.325938 0.172657e+02 1.237185 2.848725 1 0.323732e+01 0.510185 1.174745 2 0.215576e+01 0.333600 0.768142 3 0.163199e+01 0.212718 0.489802 4 0.116495e+01 0.066306 0.152675 5 0.113707e+01 0.055789 0.128459 6 0.106614e+01 0.027816 0.064048 0.100000e+01 0.000000 0.000000 0.220531e+08 7.343470 16.908964 0.632896e+05 4.801333 11.055477 000144878 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.0202 0.8582 0.0001 4.1108 -31.2965 -28.3752 -28.9227 0.1018 0.0003 -0.0002 -1.7651 1.1563 0.6088 0.1018 0.0003 -0.0002 28.8863 0.9653 0.0011 0.4340 1.7286 -0.0002 -2.0233 -0.1770 -0.0005 -0.0005 -675.0666 -54.6219 -35.0035 -0.9055 -0.0006 2.5514 0.0005 0.0023 -0.0006 -114.7763 -103.1694 -16.9613 -0.0021 -0.0013 1.0592 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -229.672236 3.619E-9 1.17E-4 0.0642349 0.0701371 C01 [X(C4H4O1)] -1.598815 0.2439173 0.0001275 -1.6956543 -0.0440445 0.0001158 0.1617949 -0.1747709 0.0000021 0.0001572 0.0000225 -0.2641686 -0.4723752 -0.1405829 -0.0000325 -0.0817397 -0.0312751 -0.0000361 -0.0001574 -0.000031 0.01753 1.1174151 0.0178962 -0.0000354 0.1649514 0.4533447 0.0001423 -0.0000305 0.0001385 -0.0561806 -1.5817495 -0.0081761 0.0000673 -0.0744044 -0.4102462 -0.0000359 0.0000677 -0.0000399 -0.220472 2.4938657 0.0198999 -0.0001738 -0.1071698 0.2091819 0.0000016 -0.0002183 -0.0000126 0.2836064 0.0439217 0.013307 -0.1030909 -0.0615115 0.0857352 0.0552138 -0.1273004 0.0386597 -0.0160318 0.0438693 0.0133061 0.1031135 -0.0615139 0.085709 -0.0552121 0.127386 -0.0386404 -0.0159881 0.0841416 0.0785602 -0.0000003 -0.0002774 -0.0869399 0.0000013 0.0000465 0.000009 0.1221545 -0.0334345 0.049834 0.0000363 0.0598704 -0.1307386 -0.000077 0.0000491 -0.0001058 0.1495501 95.2261814|-1.5173306|30.3726751|-0.0038909|0.0012856|23.4393858 0.78591853 -0.05573790 0.02688432 -0.00008139 0.00000562 0.02420629 -0.00476655 0.00146615 0.00000057 0.48517467 0.00070964 -0.00100945 -0.00000007 -0.04374606 0.55313979 -0.00000093 0.00000107 -0.00370393 -0.00003067 0.00000765 0.48827974 0.02268439 0.00152035 0.00000006 -0.15091562 -0.07566415 0.00000285 0.73547986 0.00417961 0.00954301 0.00000112 -0.06946736 -0.14566064 -0.00000638 -0.08651665 0.54772264 0.00000057 0.00000095 0.00355615 -0.00000831 -0.00001509 -0.06566613 -0.00004224 0.00010692 0.15028797 -0.04718897 -0.01712423 0.00000327 -0.03934399 0.00630184 -0.00000227 -0.47368804 0.15200808 0.00003949 1.22218381 -0.00971365 0.00642158 -0.00000229 -0.01136507 0.01055247 0.00000462 0.11895875 -0.09179837 -0.00001382 -0.15919170 0.08512097 0.00000363 -0.00000154 0.02240348 -0.00000197 0.00000303 0.00617010 0.00003602 -0.00001448 -0.04248242 -0.00011847 0.00001181 0.06345671 -0.75171270 0.07011392 0.00007719 0.00901930 0.00333948 0.00000285 -0.04262427 -0.02850074 0.00000097 -0.64732984 0.03724413 0.00007098 1.42830046 0.05955288 -0.04154901 -0.00000405 -0.00400428 0.00058345 -0.00000369 0.00700721 -0.01696532 -0.00000260 0.01779141 -0.00946206 0.00000856 -0.08136313 0.06701192 0.00007685 -0.00000534 -0.04779324 -0.00000132 -0.00000130 0.01156092 -0.00000162 0.00000012 -0.00338578 0.00007511 0.00000590 -0.06172899 -0.00014859 -0.00000041 0.10440570 -0.00027778 0.00042386 -0.00052254 -0.11820369 0.02794129 -0.12002757 -0.02043249 0.00419791 -0.01981842 0.00018865 -0.00303800 -0.00016211 -0.00102558 -0.00069440 0.00178073 0.13521593 -0.00054420 0.00008991 -0.00048710 0.02422024 -0.05392782 0.03575782 -0.01115596 0.00351105 -0.01625848 -0.00227661 -0.00047176 -0.00023934 0.00096884 -0.00008167 0.00159982 -0.02645019 0.05378191 -0.00024290 0.00000498 0.00023987 -0.11689463 0.03744720 -0.20014495 0.00309486 0.00208232 0.00101071 0.00065026 -0.00045085 -0.00069685 0.00043953 -0.00001668 -0.00046192 0.12788031 -0.04097962 0.22185815 -0.00027812 0.00042365 0.00052250 -0.11827414 0.02795277 0.12005667 -0.02043349 0.00420112 0.01981328 0.00018775 -0.00304017 0.00016244 -0.00102541 -0.00069340 -0.00178012 0.00844951 -0.00186107 -0.01621849 0.13528884 -0.00054441 0.00008963 0.00048722 0.02423526 -0.05393659 -0.03575811 -0.01115925 0.00351160 0.01625706 -0.00227838 -0.00047264 0.00023801 0.00096924 -0.00008082 -0.00159985 -0.00186200 0.00073716 0.00529789 -0.02646367 0.05378679 0.00024360 -0.00000497 0.00023978 0.11692781 -0.03744130 -0.20009260 -0.00310474 -0.00208369 0.00101461 -0.00064800 0.00045010 -0.00069655 -0.00044153 0.00001676 -0.00046183 0.01622658 -0.00529897 -0.02231898 -0.12791046 0.04097691 0.22179903 0.00096182 -0.00016473 -0.00000002 -0.06785345 0.07815119 0.00000264 0.00558362 -0.03081561 -0.00000103 0.00224220 0.00149331 0.00000024 -0.00128692 -0.00003072 -0.00000021 -0.00452325 0.01629885 0.00175264 -0.00452403 0.01630330 -0.00175463 0.07333244 0.00005475 -0.00017942 0.00000008 0.07301500 -0.29379948 0.00000354 0.00832602 -0.01978842 -0.00000080 0.00043582 0.00313720 0.00000008 0.00012547 0.00020709 -0.00000023 -0.00034213 -0.00377945 -0.00277209 -0.00034390 -0.00377738 0.00277227 -0.07857405 0.31818495 0.00000032 -0.00000005 0.00003509 0.00000329 0.00000464 -0.04608790 -0.00000196 -0.00000521 -0.00037822 0.00000152 0.00000025 -0.00133341 -0.00000079 0.00000008 -0.00003488 -0.00712854 0.02454977 -0.00005070 0.00712611 -0.02454495 -0.00004859 0.00000107 -0.00000326 0.04523179 -0.00534063 -0.00092107 0.00000036 0.00516347 -0.02498600 -0.00000358 -0.05565396 0.05071366 0.00001569 -0.01725157 0.02865242 0.00000924 0.00768494 0.00243443 -0.00000084 0.00060871 0.00080011 -0.00046160 0.00060909 0.00079990 0.00046136 -0.00393244 -0.00269699 -0.00000102 0.06811239 0.00204330 -0.00029057 -0.00000054 0.00564613 -0.01594172 -0.00000652 0.04868368 -0.29007555 -0.00007416 0.00433378 -0.00302740 -0.00000612 -0.00289722 0.00033642 0.00000129 -0.00017634 0.00014066 -0.00061314 -0.00017533 0.00014226 0.00061290 -0.00266153 -0.00020508 -0.00000127 -0.05479646 0.30892099 0.00000024 -0.00000073 0.00081652 0.00000522 -0.00000476 0.00968475 0.00001677 -0.00008072 -0.04395689 -0.00000092 -0.00000570 0.01490794 -0.00000060 0.00000204 -0.00209997 0.00177154 0.00135611 0.00056468 -0.00177194 -0.00135418 0.00056512 -0.00000068 0.00000039 0.00266683 -0.00001962 0.00008756 0.01685104 -0.00047168 0.00005362 0.00000155 0.00002684 -0.00001643 0.00000848 0.00012743 -0.00000109 -0.00001933 -0.00003449 0.00002076 0.00001042 0.00034532 -0.00004280 -0.00000538 0.00001350 0.00001984 0.00001969 0.00001103 0.00001910 -0.00002172 -0.00001024 -0.00003767 -0.00000058 -0.00000771 -0.00001532 0.00000687 0.000471680 -0.000053617 -0.000001550 -0.000026839 0.000016434 -0.000008482 -0.000127427 0.000001093 0.000019331 0.000034485 -0.000020759 -0.000010421 -0.000345316 0.000042805 0.000005379 -0.000013504 -0.000019845 -0.000019687 -0.000011032 -0.000019100 0.000021722 0.000010238 0.000037668 0.000000577 0.000007715 0.000015320 -0.000006868 64.04220000000001 AuxInfo=1/0/N:2,3,4,5,1/CRV:2.3,3.2,4.2,5.1/rA:9O1CC3C2C2HHHH/rB:;s2;s3;s1s4;s2;s2;s2;s3;/rC:;;;;;;;;;