Gaussian 09 GINC-KIMIK2101 CBGUSER 000164700 EM64L-G09RevD.01 4-Sep-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 (6D, 10F) SDD RPBEPBE SDD FOpt #popt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 54.0275 0 1 AuxInfo=1/0/N:4,3,2,1/rA:11ONCCHHHHHHH/rB:s1;s2;s3;s3;s3;s4;s4;s4;s2;s1;/rC:;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-22871.inp" -scrdir="/scratch/" chk=000164700.chk nprocshared=8 mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 1/7=-1,14=-1,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=17,6=7,11=2,16=1,24=10,25=1,30=1,71=1,74=1009/1,2,3 4//1 5/5=2,38=5/2 6/7=3,28=1,40=-1,79=1/1,7 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=17,6=7,11=2,16=1,25=1,30=1,71=1,74=1009/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7/30=1/1,2,3,16 1/7=-1,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=3,19=2,28=1,40=-1,79=1/1,7 99/9=1/99 000164700 1 2 3 4 5 6 7 8 9 10 11 16 14 12 12 1 1 1 1 1 1 1 15.9949146 14.0030740 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 0 0 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Initialization pass. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 1 1 2 2 3 3 3 4 4 4 2 11 3 10 4 5 6 7 8 9 1.4505 0.9722 1.4575 1.0192 1.5192 1.0964 1.0954 1.0954 1.0949 1.0949 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 2 1 1 3 2 2 2 4 4 5 3 3 3 7 7 8 1 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 11 3 10 10 4 5 6 5 6 6 7 8 9 8 9 9 99.4743 105.4426 100.7998 109.6572 111.1872 110.8659 108.4873 110.2613 108.8682 107.0432 111.1906 111.8308 109.9917 108.2607 107.7588 107.6529 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 11 11 1 1 1 10 10 10 2 2 2 5 5 5 6 6 6 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 2 2 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 3 10 4 5 6 4 5 6 7 8 9 7 8 9 7 8 9 130.2282 -115.6937 -70.0343 53.0059 170.2756 -177.7988 -54.7585 62.5111 -57.1609 63.9925 -176.4456 179.4524 -59.3942 60.1677 62.3023 -176.5443 -56.9824 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 3.00e-01 1.00e-07 1.00e-06 53 100 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 11 11 11 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= 3675 LenC2= 738 LenP2D= 2983. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 54 RedAO= T EigKep= 7.11D-03 NBF= 54 NBsUse= 54 1.00D-06 EigRej= -1.00D+00 NBFU= 54 Using GEDIIS/GDIIS optimizer. local minimum Step number 5 out of a maximum of 53 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00510 0.00737 0.00839 0.04312 0.04677 0.05492 0.05694 0.05754 0.09057 0.12602 0.13399 0.15826 0.16022 0.16101 0.17114 0.22102 0.24352 0.30709 0.33413 0.34089 0.34184 0.34228 0.34758 0.36560 0.39586 0.44272 0.52130 RFO step: Lambda=-8.46833796D-07. 1 2 0.00128118 0.00000091 0.00000088 0.00000048 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 2.85482 1.87516 2.82064 1.96117 2.90157 2.10228 2.09646 2.08713 2.08609 2.08797 1.78176 1.87514 1.77986 1.90659 1.94228 1.95024 1.83727 1.92095 1.92718 1.88350 1.92864 1.92369 1.93044 1.89674 1.89594 1.88742 2.09353 -2.18572 -1.27851 0.87668 2.91666 3.08693 -1.04107 0.99890 -0.97195 1.12481 -3.07208 3.13944 -1.04699 1.03931 1.06180 -3.12463 -1.03833 0.00034 -0.00012 0.00001 0.00001 -0.00007 -0.00003 -0.00009 -0.00001 0.00002 0.00005 0.00021 -0.00035 0.00022 -0.00004 -0.00007 -0.00004 0.00006 0.00009 -0.00002 -0.00002 0.00002 0.00009 0.00002 -0.00005 -0.00002 -0.00005 0.00005 -0.00004 0.00002 0.00005 0.00004 -0.00005 -0.00002 -0.00003 -0.00003 -0.00002 -0.00002 0.00002 0.00002 0.00003 -0.00001 0.00000 0.00000 0.00023 0.00000 0.00006 -0.00001 -0.00007 -0.00009 0.00002 -0.00004 0.00000 -0.00005 -0.00016 0.00001 -0.00015 -0.00017 -0.00018 -0.00016 0.00009 0.00004 0.00014 0.00009 -0.00001 -0.00008 -0.00001 0.00003 0.00008 0.00000 -0.00093 -0.00118 -0.00040 -0.00060 -0.00053 -0.00015 -0.00035 -0.00027 -0.00018 -0.00021 -0.00026 0.00013 0.00010 0.00004 -0.00009 -0.00011 -0.00017 0.00097 -0.00025 0.00024 0.00001 -0.00017 -0.00014 -0.00034 -0.00004 0.00007 0.00013 0.00084 -0.00156 0.00135 -0.00013 -0.00029 -0.00051 0.00016 0.00066 -0.00006 0.00003 0.00006 0.00049 0.00027 -0.00029 -0.00020 -0.00036 0.00139 0.00126 -0.00022 0.00005 -0.00008 -0.00097 -0.00070 -0.00083 -0.00054 -0.00055 -0.00051 -0.00016 -0.00016 -0.00012 -0.00057 -0.00057 -0.00054 0.00119 -0.00024 0.00030 0.00000 -0.00023 -0.00024 -0.00032 -0.00008 0.00007 0.00007 0.00067 -0.00155 0.00120 -0.00030 -0.00047 -0.00067 0.00025 0.00069 0.00008 0.00012 0.00005 0.00041 0.00027 -0.00026 -0.00012 -0.00036 0.00046 0.00008 -0.00062 -0.00055 -0.00061 -0.00112 -0.00105 -0.00111 -0.00072 -0.00076 -0.00078 -0.00003 -0.00006 -0.00008 -0.00066 -0.00069 -0.00071 2.85601 1.87492 2.82095 1.96116 2.90134 2.10204 2.09614 2.08705 2.08616 2.08804 1.78244 1.87359 1.78106 1.90629 1.94181 1.94956 1.83752 1.92164 1.92726 1.88361 1.92869 1.92410 1.93071 1.89648 1.89582 1.88706 2.09400 -2.18564 -1.27913 0.87613 2.91605 3.08581 -1.04212 0.99780 -0.97267 1.12405 -3.07286 3.13941 -1.04705 1.03923 1.06115 -3.12532 -1.03904 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000352 0.000098 0.003435 0.001281 0.002500 0.001667 0.010000 0.006667 YES YES YES YES -9.192557e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 1 1 2 2 3 3 3 4 4 4 2 11 3 10 4 5 6 7 8 9 1.5107 0.9923 1.4926 1.0378 1.5354 1.1125 1.1094 1.1045 1.1039 1.1049 -DE/DX = 0.0003|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 2 1 1 3 2 2 2 4 4 5 3 3 3 7 7 8 1 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 11 3 10 10 4 5 6 5 6 6 7 8 9 8 9 9 102.0875 107.4373 101.9787 109.2396 111.2846 111.7403 105.268 110.0624 110.4194 107.9164 110.503 110.2195 110.606 108.6754 108.6293 108.1411 -DE/DX = 0.0002|-DE/DX = -0.0004|-DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 11 11 1 1 1 10 10 10 2 2 2 5 5 5 6 6 1 1 2 2 2 2 2 2 3 3 3 3 3 3 3 3 2 2 3 3 3 3 3 3 4 4 4 4 4 4 4 4 3 10 4 5 6 4 5 6 7 8 9 7 8 9 7 8 119.9506 -125.2325 -73.253 50.2303 167.1122 176.8678 -59.6489 57.233 -55.6885 64.4468 -176.0172 179.8767 -59.988 59.548 60.8368 -179.028 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 0 0 0 0 0 0 0 0 0 0 0 54.0275 AuxInfo=1/0/N:4,3,2,1/rA:11ONCCHHHHHHH/rB:s1;s2;s3;s3;s3;s4;s4;s4;s2;s1;/rC:;;;;;;;;;;; 0.000000 1.450454 0.000000 2.313864 1.457506 0.000000 2.886871 2.456155 1.519171 0.000000 2.504445 2.112979 1.096368 2.159511 0.000000 3.270773 2.082502 1.095424 2.141067 1.762378 0.000000 3.327446 2.710600 2.170412 1.095356 3.076964 2.506668 0.000000 2.619789 2.772398 2.178012 1.094891 2.518742 3.067854 1.774871 0.000000 3.858615 3.399213 2.155028 1.094938 2.496210 2.454242 1.769271 1.767702 0.000000 1.922620 1.019153 2.040188 3.341282 2.373980 2.385910 3.657619 3.688280 4.171056 0.000000 0.972164 1.874335 2.937271 3.220380 3.355076 3.827657 3.377228 2.879518 4.280270 2.449347 0.000000 14.8181994 5.5171352 4.5913727 -0.77049 -0.65719 -0.53967 -0.46459 -0.43883 -0.38684 -0.36521 -0.32658 -0.31752 -0.29999 -0.23038 -0.18532 0.04309 0.07037 0.10321 0.12523 0.12609 0.16041 0.18374 0.19326 0.21166 0.21329 0.27890 0.28900 0.30183 0.33092 0.38257 0.45481 0.48235 0.54379 0.62455 0.65777 0.71644 0.78977 0.88499 0.90005 0.92362 0.93822 1.00383 1.08020 1.09496 1.12684 1.26417 1.41837 1.59948 22.52318 22.64884 31.44322 41.45087 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 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 -18.77444 -14.02417 -9.91351 -9.87312 -0.97717 -0.77049 -0.65719 -0.53967 -0.46459 -0.43883 -0.38684 -0.36521 -0.32658 -0.31752 -0.29999 -0.23038 -0.18532 0.04309 0.07037 0.10321 0.12523 0.12609 0.16041 0.18374 0.19326 0.21166 0.21329 0.27890 0.28900 0.30183 0.33092 0.38257 0.45481 0.48235 0.54379 0.62455 0.65777 0.71644 0.78977 0.88499 0.90005 0.92362 0.93822 1.00383 1.08020 1.09496 1.12684 1.26417 1.41837 1.59948 22.52318 22.64884 31.44322 41.45087 0.58056 0.00000 0.00001 0.00000 -0.11275 0.06445 -0.02133 -0.01404 0.00535 -0.01644 0.00322 -0.05093 -0.00539 -0.01963 0.00965 0.00497 0.01295 -0.05744 -0.01398 -0.00272 -0.00553 0.00378 0.01019 0.00167 -0.00585 0.00384 -0.00883 -0.00104 0.00047 -0.00348 0.00535 0.01518 0.00546 0.00311 -0.00592 0.01375 -0.00909 -0.00615 0.01430 0.00103 0.02681 0.05597 -0.01984 -0.00961 0.00375 0.01854 0.01464 -0.02706 -0.04125 0.12912 -0.00351 0.00198 -0.00187 -1.73056 0.45932 0.00001 0.00005 0.00001 -0.14974 0.08589 -0.02849 -0.01886 0.00708 -0.02206 0.00441 -0.06840 -0.00712 -0.02634 0.01275 0.00647 0.01686 -0.07675 -0.01874 -0.00306 -0.00714 0.00456 0.01353 0.00239 -0.00782 0.00513 -0.01139 -0.00119 0.00075 -0.00423 0.00794 0.02118 0.00804 0.00228 -0.00532 0.02011 -0.01238 -0.01024 0.01980 0.00438 0.04259 0.08485 -0.03146 -0.01583 0.00684 0.02944 0.02405 -0.04374 -0.06577 0.21833 0.00070 -0.00039 0.00119 1.88279 0.00846 -0.00010 -0.00054 -0.00006 0.43019 -0.25171 0.08465 0.05757 -0.02034 0.06798 -0.01446 0.20654 0.01963 0.07821 -0.03378 -0.01480 -0.03724 0.20754 0.05082 -0.00728 0.01160 -0.00121 -0.03567 -0.00962 0.02097 -0.01498 0.01993 -0.00155 -0.00429 0.00104 -0.04236 -0.08318 -0.04072 0.04875 -0.06208 -0.09435 0.03106 0.08241 -0.06181 -0.08795 -0.29778 -0.48739 0.22502 0.11468 -0.06487 -0.20419 -0.18495 0.31489 0.45398 -1.93555 0.02188 -0.01418 0.00976 -0.43473 -0.00622 0.00165 0.00135 0.00000 0.35455 -0.24881 0.08812 0.05652 -0.03932 0.07219 0.00779 0.25131 0.02595 0.09796 -0.08296 -0.05527 -0.13002 0.88363 0.27462 0.20170 0.16119 -0.15789 -0.16502 -0.02232 0.10700 -0.06758 0.22693 0.03670 -0.02017 0.13282 0.09889 -0.04398 0.04219 -0.57071 0.90748 0.05775 0.21031 -0.41449 -0.42815 0.25020 0.49672 0.41518 -0.38958 -0.10092 0.16706 0.27195 0.35159 -0.17174 -0.13618 3.46839 -0.04570 0.03690 -0.09875 0.44877 -0.00020 -0.00006 0.00004 0.00007 -0.03566 -0.06235 0.03111 0.04677 0.27802 -0.01000 -0.08383 0.01884 0.10940 0.07804 0.06867 0.58796 -0.15966 -0.15448 0.12447 0.21827 0.03252 -0.09907 0.02351 0.01253 0.04192 0.03577 0.01175 0.05965 0.04044 0.10842 0.06388 0.12282 0.08142 -0.15942 0.37139 -0.25892 -0.08567 0.40247 0.50427 -0.16102 -0.16513 -0.19379 0.00364 0.11731 -0.09125 -0.02317 -0.07032 -0.10949 -0.15089 0.04701 -0.00382 -0.00127 0.00475 0.00329 0.00049 0.00001 -0.00006 -0.00002 0.07152 0.08489 -0.10263 -0.15079 -0.22459 0.21304 0.26380 -0.04910 0.04332 -0.11320 -0.08614 0.37413 0.01151 0.26990 -0.23656 -0.34075 -0.07433 -0.01439 -0.09626 -0.00402 0.01945 -0.02049 0.11830 -0.01123 0.07828 -0.00280 0.07634 0.06056 0.00878 0.20239 0.10667 0.31705 -0.33914 0.56553 -0.21636 -0.05917 0.11885 0.26094 -0.09261 0.04008 0.01488 0.03461 -0.11021 0.02074 0.17559 -0.05820 0.00333 -0.00147 -0.00441 -0.00527 -0.00157 -0.00003 -0.00007 0.00004 -0.13797 0.10462 -0.04008 -0.02737 -0.14269 0.16659 -0.04813 0.43041 0.08911 0.22087 -0.06082 -0.04873 -0.27782 -0.32653 -0.11221 -0.12574 -0.08551 0.10905 -0.06231 -0.03744 -0.03045 0.00558 -0.00302 -0.00933 -0.00831 -0.02051 -0.15574 -0.11712 -0.05432 -0.03369 0.27273 -0.41365 0.42600 0.30131 -0.38037 0.16169 0.19241 0.19249 -0.10608 -0.22122 0.03776 0.02603 0.01917 -0.10802 -0.01171 -0.05141 0.00079 -0.00329 0.00379 0.00675 0.00048 -0.00028 -0.00080 0.00008 -0.00630 -0.00919 0.00159 0.00975 0.09456 0.01730 -0.02688 0.03453 0.05423 0.04902 0.03586 0.31909 -0.08356 -0.13769 0.13765 0.31122 0.08374 -0.04779 0.06632 -0.00158 0.00350 0.05377 -0.07549 -0.06062 -0.03751 -0.07334 0.13445 0.21844 -0.05871 0.40576 -0.59266 0.26870 -0.19080 -0.46894 -1.14578 0.41932 0.45079 0.26740 0.04945 -0.40619 0.10864 0.10748 0.22193 -0.12996 0.16285 -0.53246 0.02316 -0.02436 0.02761 -0.03982 -0.00103 0.00099 0.00086 0.00007 0.01336 0.00181 -0.02294 -0.04227 -0.05984 0.06620 0.10474 -0.04946 0.01457 -0.06354 -0.03130 0.19240 -0.00930 0.23341 -0.33639 -0.41143 -0.08897 -0.02292 -0.18278 -0.09575 -0.05145 -0.15139 0.17704 -0.07024 -0.02671 0.00131 0.00387 -0.05460 0.03976 -0.45206 0.40399 -0.77496 0.51815 -1.38274 0.39417 -0.23209 -0.29080 -0.51324 0.15481 0.18203 -0.06657 -0.06688 0.36395 0.30539 0.10250 0.92064 -0.03104 0.02043 -0.06271 0.07151 0.00181 0.00006 0.00037 -0.00011 -0.02818 0.01904 -0.00750 -0.00281 -0.03997 0.06361 -0.03145 0.17567 0.03910 0.09402 -0.01754 -0.01745 -0.15207 -0.39309 -0.23349 -0.23952 -0.13412 0.03809 -0.09857 0.00760 -0.11267 -0.03323 -0.11206 0.01821 0.03713 -0.00055 -0.15743 -0.12035 0.04180 0.02762 -0.47662 0.38390 -0.72103 -0.51706 0.95111 -0.81789 -0.52535 0.18281 0.23589 0.59015 -0.01079 -0.08040 -0.10020 0.44701 -0.01757 -0.59613 -0.00699 0.01333 0.00073 -0.07683 0.00000 0.59303 0.00000 0.00000 -0.06917 -0.08516 0.05380 0.03062 -0.00797 0.02914 -0.00317 0.02470 0.01558 -0.00653 -0.00055 0.00657 0.04165 0.04024 -0.05855 -0.01131 0.03265 0.01540 0.01125 -0.00203 0.01341 0.00471 -0.00112 -0.00691 0.00285 0.00932 0.01482 -0.04100 -0.00157 -0.00002 0.00194 -0.00033 -0.02665 0.00192 0.00253 0.01381 -0.00980 0.02151 0.07631 -0.04123 0.00865 0.00731 0.01337 -0.06088 -0.10112 -0.03223 -0.00915 0.00281 -1.76131 0.00170 0.00001 0.44327 0.00005 0.00003 -0.08845 -0.10946 0.06951 0.03969 -0.01031 0.03817 -0.00414 0.03238 0.02041 -0.00842 -0.00073 0.00840 0.05430 0.05238 -0.07593 -0.01511 0.04173 0.01871 0.01382 -0.00269 0.01877 0.00509 -0.00127 -0.00937 0.00418 0.01258 0.02087 -0.05703 -0.00341 0.00359 0.00159 0.00097 -0.03902 0.00260 0.00610 0.02274 -0.01525 0.03534 0.11690 -0.06646 0.01444 0.01115 0.02041 -0.10033 -0.17191 -0.05963 0.00587 -0.00192 1.92755 -0.00275 -0.00014 0.01394 -0.00011 -0.00025 0.24783 0.31833 -0.20592 -0.11958 0.03177 -0.12203 0.01374 -0.10696 -0.06327 0.02113 0.00196 -0.02299 -0.16291 -0.14353 0.19698 0.05713 -0.08164 -0.01535 -0.01735 0.00826 -0.08798 0.01707 0.00076 0.03339 -0.02441 -0.04749 -0.10340 0.25886 0.05025 -0.13085 0.03449 -0.07179 0.23140 -0.02636 -0.08123 -0.19841 0.15683 -0.30409 -0.81788 0.55994 -0.13279 -0.07515 -0.13049 0.90668 1.77166 0.83688 0.01037 0.00590 -0.50001 0.01950 0.00152 -0.01228 0.00194 -0.00022 0.18783 0.26705 -0.19214 -0.13417 0.00128 -0.07657 0.02250 -0.07753 -0.09501 0.06057 0.00796 -0.04447 -0.23882 -0.64252 1.19918 -0.01505 -0.99364 -0.58821 -0.51886 0.00620 0.11740 -0.45714 0.03893 0.10618 0.02279 0.07834 0.22155 -0.13355 -0.30347 0.86982 -0.13194 1.04031 -0.23940 0.18639 -0.12096 0.29083 -1.10608 0.88218 1.04509 -1.16232 0.29507 0.02851 0.00407 -1.16101 -4.10910 -2.64329 -0.06825 0.06541 0.67586 -0.12747 0.00007 0.00034 0.00025 0.00014 0.05186 -0.08508 -0.09764 -0.20931 0.13731 0.33467 0.13283 -0.13740 0.20593 -0.06828 -0.02246 -0.14210 0.06325 -0.21169 0.16479 0.02640 0.01149 0.15813 0.30419 -0.04364 0.26008 0.02931 -0.24296 0.19497 -0.08206 -0.06553 -0.02570 -0.25633 0.13184 0.23690 0.51868 -0.17569 -0.46483 -0.37014 -0.16220 -0.05898 0.18758 -0.07509 -0.20490 0.15233 0.00820 0.08039 0.07386 -0.15410 0.03602 -0.15940 -0.01035 -0.00025 0.00070 -0.00729 -0.00011 -0.00013 0.00004 0.00009 -0.08481 0.08485 -0.06916 -0.00194 0.39008 0.01890 -0.19975 0.13263 0.09573 0.13525 0.03424 -0.08364 0.03073 0.40119 0.09224 -0.40985 -0.16322 -0.03269 -0.01551 -0.05285 0.18397 -0.13307 0.12650 0.05064 0.00902 -0.05239 0.15519 -0.07267 0.04237 0.20100 -0.52937 -0.53572 -0.24374 0.13603 -0.00212 -0.02091 0.08928 -0.13958 -0.33389 0.11106 0.01750 0.03475 -0.04462 -0.16034 -0.06362 0.16259 -0.00425 -0.00219 -0.00580 0.01209 0.00003 0.00196 -0.00012 -0.00001 0.08416 0.11745 -0.06665 -0.00156 -0.07412 0.10752 -0.10382 0.17207 -0.04242 -0.01164 0.08006 0.11434 0.58929 -0.19338 0.15260 -0.03650 -0.09942 -0.13768 -0.04613 -0.02529 -0.03840 -0.02446 -0.10974 0.01407 -0.07430 0.19270 -0.16772 0.04091 0.09898 -0.76207 -0.15184 -0.08395 -0.32820 0.05061 -0.33487 -0.03492 -0.02217 0.04110 -0.09945 0.04356 0.00419 -0.00686 0.09068 0.00393 -0.03209 -0.07830 0.00363 -0.00221 -0.00601 -0.00337 0.00106 0.00001 -0.00223 -0.00118 0.00217 0.00953 -0.00876 -0.03235 0.02929 0.06107 0.03523 -0.03163 0.07807 -0.00556 -0.01241 0.03608 -0.02002 -0.19332 0.32192 -0.18253 0.12904 0.59825 0.76101 0.01857 0.41514 0.38796 -0.44542 0.14467 0.08285 0.23560 -0.01549 -0.54154 -0.01016 -0.51967 -1.54783 0.92140 1.17130 1.59814 1.33151 0.51956 0.22762 0.57319 0.43550 -0.21124 -0.07958 -0.00010 -0.64005 0.39565 0.65907 -0.56778 0.11055 -0.02193 -0.02941 -0.07614 -0.00121 0.00001 0.00032 -0.00098 0.00624 0.00453 -0.00442 0.00142 0.07500 -0.01098 -0.04687 0.03056 0.01471 0.04619 0.00317 -0.02646 0.00434 0.38378 0.28868 -0.75224 -0.30968 0.07352 0.23693 -0.14583 0.28727 -0.21856 0.28042 -0.08731 -0.05217 0.26672 0.39551 0.23818 0.07623 -0.95467 1.69683 1.37796 1.22573 -0.71207 0.21613 0.68196 -0.13333 -0.05319 0.36177 -0.30044 -0.13973 0.11792 0.13799 0.36415 -0.19479 0.71879 0.01341 0.04320 -0.00624 0.08462 0.00041 -0.00347 -0.00003 -0.00026 0.01373 0.02709 -0.01509 -0.00526 -0.02706 0.05119 -0.03505 0.09482 -0.00762 0.02429 0.02553 0.06597 0.33044 -0.19632 0.37732 -0.04864 -0.24153 -0.20679 0.03280 0.10831 0.03326 -0.15561 -0.28474 -0.05438 0.06065 0.34421 -0.25345 0.20928 -0.22830 1.48715 -0.00113 0.48070 0.80929 0.26428 0.63365 0.45926 -0.18326 -0.05782 -0.03355 -0.42851 0.13760 0.11279 -0.41093 -0.35065 -0.97533 -0.72549 0.00196 0.01199 0.13969 -0.04222 0.00000 0.00001 0.60042 -0.00077 -0.01975 -0.07480 -0.05621 -0.07877 0.00280 -0.01085 -0.00400 0.00806 -0.01328 -0.00203 -0.00398 -0.01585 -0.00869 -0.00113 -0.02000 0.01817 -0.05463 -0.05958 0.00356 0.00143 -0.00907 -0.01592 0.00540 0.01744 -0.00478 0.00441 -0.01151 0.05138 -0.05709 -0.03026 -0.01529 -0.00399 0.00375 0.00514 0.03389 0.03302 0.11712 -0.00288 0.04978 0.05261 -0.00183 0.00346 -0.00255 -0.02054 0.01678 -0.02175 -1.39966 1.06966 0.00854 0.00434 0.00004 0.00007 0.43398 -0.00044 -0.02467 -0.09385 -0.07087 -0.10007 0.00348 -0.01359 -0.00527 0.01093 -0.01722 -0.00273 -0.00522 -0.02074 -0.01145 -0.00163 -0.02551 0.02244 -0.06956 -0.07881 0.00357 0.00158 -0.01141 -0.02049 0.00760 0.02501 -0.00672 0.00514 -0.01679 0.07074 -0.07981 -0.04342 -0.02207 -0.00560 0.00138 0.00503 0.05780 0.05996 0.19295 -0.00102 0.08409 0.08023 -0.00242 0.00575 -0.00345 -0.04394 0.03801 -0.03644 1.53712 -1.18248 -0.01304 -0.00804 -0.00034 -0.00041 0.01997 -0.00061 0.06756 0.25658 0.19766 0.28696 -0.01380 0.03376 0.01656 -0.03675 0.05082 0.01280 0.01811 0.06623 0.04939 0.00876 0.05096 -0.01751 0.10412 0.21116 0.03139 0.00807 0.01093 0.00974 -0.03740 -0.13830 0.02934 0.02023 0.10296 -0.27563 0.35402 0.27898 0.13019 0.02626 0.07746 0.03117 -0.62759 -0.63192 -1.92357 -0.03788 -0.80242 -0.62998 0.02111 -0.05125 0.02044 0.71072 -0.89095 0.35420 -0.42123 0.35365 0.02869 0.02876 0.00079 0.00462 -0.02219 0.00453 0.01169 0.17462 0.15607 0.27932 0.01238 0.01709 0.00395 -0.05902 0.04082 -0.04929 0.01087 0.15446 -0.06088 -0.08754 0.71347 -0.90171 2.21640 1.79266 -0.87985 -0.15149 0.38697 0.99336 0.07142 0.34554 0.08250 -0.55398 -0.20408 -1.15061 0.22647 -1.43180 -0.90996 0.38368 0.14699 0.47537 2.23059 0.14093 5.71277 -0.13619 1.97699 1.88671 -0.12103 -0.06656 -0.16925 -1.94181 4.45478 0.02675 0.62797 -0.72521 -0.29094 -0.04489 -0.00009 0.00032 0.00040 -0.00002 0.04315 0.08371 -0.13156 0.02259 -0.11332 -0.17017 -0.27365 0.10293 -0.19954 -0.11875 0.13352 0.16041 0.01637 0.04086 -0.15752 0.08903 -0.01219 0.04325 0.35450 -0.15248 0.25148 0.12249 0.12862 -0.00058 0.18181 0.01256 0.14381 -0.78402 -0.64250 0.00242 0.16718 -0.00457 -0.12150 -0.07523 0.04341 -0.02786 0.00409 0.06318 0.01120 0.23946 0.11529 0.04249 -0.17110 0.26930 0.24633 0.26141 0.00193 0.00246 -0.02757 0.01158 0.00003 0.00004 0.00009 0.00008 -0.00797 0.00570 -0.07049 0.12538 0.19614 0.02571 0.13719 0.18300 -0.17243 -0.27570 -0.26589 -0.01480 -0.00721 0.03072 0.05890 -0.05356 -0.12737 0.17517 -0.16761 0.17831 0.03979 0.44741 -0.40931 -0.36461 -0.19766 -0.07303 0.21594 0.26231 -0.59443 -0.03323 0.08866 -0.15974 -0.18467 -0.02291 0.07714 0.17189 -0.20709 0.10847 -0.09110 -0.10216 -0.22164 -0.01390 0.23817 -0.01839 0.08572 -0.05351 -0.00276 -0.00029 -0.00072 -0.00350 0.00003 -0.00010 -0.00007 0.00006 -0.01538 -0.04506 -0.00162 0.06427 -0.01416 0.33720 -0.18669 -0.10458 -0.02455 -0.23970 0.17815 -0.08849 -0.13885 -0.03330 0.15267 0.00099 -0.05446 0.11883 -0.04459 -0.28476 0.03497 0.26613 0.52029 -0.18464 0.28316 0.25585 -0.44964 0.45347 -0.21961 0.04074 -0.04326 -0.09843 -0.17465 -0.14205 0.02444 0.06441 -0.19138 0.08236 -0.02497 -0.18880 0.27611 -0.03610 -0.25414 -0.07170 -0.04651 -0.04384 -0.00674 0.00278 0.00693 -0.00210 0.00018 0.00250 0.00044 -0.00196 -0.01356 -0.00981 0.00311 0.00844 -0.00418 -0.01005 -0.06925 0.06910 -0.01440 -0.01256 0.03896 0.03548 0.01759 0.29300 -0.59921 0.40564 -0.16743 0.72663 1.65191 -0.00875 0.08351 0.61437 0.26624 0.41748 -0.33885 -1.16615 0.36008 1.48868 1.09186 -0.61912 -0.44096 -0.49382 -0.04336 0.56417 -1.04869 0.59761 -0.08451 -0.01181 0.20217 -0.41495 -0.62823 -0.19631 0.57231 0.84939 0.79514 0.12357 0.02763 0.07844 -0.11811 -0.02548 0.00016 -0.00054 0.00104 -0.00270 0.00130 0.02782 -0.00550 0.01401 0.06933 0.00083 0.02533 -0.01612 -0.02857 -0.10232 -0.06676 0.03189 0.02308 0.22155 -0.39997 0.68077 -0.90714 0.25797 -0.95528 -0.02776 0.01862 0.81140 -0.95074 1.20997 0.28202 0.04174 -1.98629 -1.24398 0.86427 0.71487 -1.23287 -0.38337 -0.20990 0.88958 1.20645 -0.31674 -0.30735 0.23625 0.45035 0.68714 0.77067 -0.22736 -1.04795 1.22230 -0.78608 0.34294 0.03540 0.11720 0.01011 0.01168 -0.00064 0.00025 0.00053 -0.00091 0.01101 0.00284 0.00986 0.02591 -0.01434 0.06548 -0.05111 -0.00939 -0.02838 -0.07297 0.06581 -0.08377 0.04670 -0.17597 -0.04279 0.52802 -0.59954 0.10400 -1.23125 -0.21387 0.40712 0.07625 1.71184 0.25985 -0.39242 -1.45731 2.17806 0.06293 0.61346 -0.98783 1.15743 -0.04031 -0.41675 -0.95876 -1.45957 0.25698 0.34748 -0.09375 0.32277 0.23236 -0.95050 -0.08768 1.38103 0.47246 -0.47436 0.23585 0.00843 0.04032 0.02325 0.04054 0.00000 0.00000 0.00077 0.60040 -0.00427 -0.02937 -0.09810 0.07149 -0.00965 0.00043 0.00468 -0.00245 -0.00730 -0.00771 -0.00269 -0.00400 -0.01095 -0.01659 0.00145 -0.02740 0.06145 -0.05288 -0.00558 -0.00121 0.01365 0.01032 0.00072 0.01290 -0.00049 -0.00196 0.00335 -0.00434 0.06059 0.01134 0.00137 -0.01794 -0.00097 -0.00219 -0.00228 0.11199 -0.06181 0.05217 0.01047 0.07394 -0.00053 0.00109 -0.01076 0.02252 0.00071 -0.00040 -1.06973 -1.39955 0.00351 0.00052 0.00001 0.00002 0.00067 0.43398 -0.00529 -0.03675 -0.12344 0.09060 -0.01229 0.00048 0.00601 -0.00312 -0.00952 -0.01006 -0.00356 -0.00527 -0.01442 -0.02136 0.00083 -0.03465 0.07886 -0.06985 -0.00694 -0.00132 0.01751 0.01304 0.00126 0.01851 -0.00072 -0.00304 0.00404 -0.00536 0.08380 0.01538 0.00347 -0.02931 -0.00611 -0.00196 0.00107 0.18704 -0.09667 0.08423 0.01751 0.11352 -0.00198 0.00097 -0.01796 0.05184 -0.00405 0.00129 1.17223 1.54387 -0.00536 -0.00100 -0.00003 -0.00018 -0.00069 0.01986 0.01340 0.09822 0.33702 -0.25317 0.03390 -0.00050 -0.01673 0.00835 0.03031 0.03307 0.01181 0.01763 0.04271 0.04669 0.03123 0.04642 -0.14789 0.19213 0.00482 -0.00799 -0.02021 0.01126 -0.01226 -0.10222 0.00573 0.02470 0.00248 0.00507 -0.34739 -0.07210 -0.07024 0.27299 0.19447 -0.03065 -0.11678 -1.83776 0.87609 -0.76826 -0.14695 -0.84896 0.04862 0.01531 0.18816 -0.98234 0.25407 -0.06089 -0.30102 -0.44371 0.01171 -0.00088 -0.00031 -0.00029 0.00577 -0.02174 0.01229 0.07819 0.26539 -0.25093 0.05610 0.00162 -0.03789 0.01452 0.02429 -0.00510 0.01373 0.03552 0.15302 0.49235 -0.42995 1.34679 -2.12703 1.59174 0.19316 0.17837 -0.86738 -1.06298 0.06949 0.42728 -0.07756 -0.36519 -0.36130 0.24071 -0.35103 0.12166 0.21637 -1.01190 -1.18270 0.46095 -0.01334 4.23768 -3.69033 1.93038 0.13466 1.90476 -0.11199 -0.18891 -0.49293 3.29014 -1.87846 0.52961 0.33818 0.86120 0.02681 0.03724 -0.00009 -0.00009 0.00011 -0.00004 0.00938 0.02996 0.01333 0.08230 -0.10741 -0.08978 -0.09653 -0.10429 0.45156 0.04011 -0.13215 0.00742 0.06989 0.02638 -0.05283 0.04668 0.01298 -0.17031 -0.06607 -0.22787 0.44652 -0.07733 -0.06791 -0.08676 -0.25778 -0.55929 -0.38417 0.18496 -0.46070 -0.07130 -0.00116 0.07649 0.02359 0.13009 0.00827 -0.07299 -0.28466 0.04863 -0.03257 0.14588 0.15022 -0.38177 0.12917 -0.06099 -0.14567 0.09277 -0.00412 0.00528 0.00621 0.00768 -0.00004 -0.00012 0.00008 0.00005 0.00562 0.03294 0.03340 0.11443 0.02025 0.01400 0.28007 -0.03269 0.06649 0.26897 0.30558 -0.06255 0.07563 0.00398 -0.04521 -0.06934 -0.03471 -0.09257 -0.00942 0.26692 0.05153 0.29570 -0.02294 0.60391 0.42163 -0.05686 0.08968 0.24067 -0.57712 -0.06258 0.01912 -0.08082 0.04124 -0.13182 -0.22911 -0.10526 -0.29057 0.07396 0.03648 0.08463 -0.17393 0.15046 -0.22820 -0.05258 -0.13195 0.02920 -0.00277 0.00403 0.00841 0.00246 -0.00001 -0.00008 0.00005 0.00003 0.00201 0.01087 0.01930 0.05250 -0.02226 0.15943 -0.11811 -0.22333 -0.16988 0.32807 -0.22258 0.03464 0.03093 0.02727 -0.01719 -0.04658 -0.00502 -0.04649 0.04821 -0.31103 -0.28106 0.28443 0.11870 0.35536 -0.70692 0.22018 0.08107 -0.02840 -0.29021 0.10405 -0.00335 0.02942 0.02926 0.08437 0.02916 -0.02890 -0.16132 -0.02323 -0.02827 0.09209 0.20865 0.35919 0.25585 0.02676 -0.03414 -0.02449 -0.00091 0.00218 0.00438 0.00101 0.00020 -0.00036 0.00176 -0.00109 0.00367 -0.00315 -0.00722 0.00854 -0.01709 -0.03013 -0.02684 -0.04145 0.11569 0.00331 -0.05445 -0.04269 -0.02299 -0.00859 -0.31997 0.31704 -0.90838 -0.20858 -0.94716 -0.80689 1.13513 0.43221 -0.71622 0.16285 0.39525 1.48197 0.47695 -0.29435 0.58202 0.22015 -0.18907 0.60868 0.84621 -0.26895 0.36646 0.12909 -0.21240 0.21261 -0.05037 -0.47108 -0.37789 1.01568 -0.52832 1.01236 -0.38368 -0.17167 -0.03196 0.08162 0.00602 -0.01019 -0.00018 0.00048 0.00236 -0.00080 -0.00089 -0.00888 -0.00411 0.01781 0.00820 0.02004 0.06713 0.02942 0.01295 0.07633 0.10204 -0.05126 0.06731 0.02652 -0.32316 0.34981 -0.83369 -0.43267 0.88854 0.88664 0.27733 1.12173 1.15205 -0.75354 -0.70210 -0.78439 0.35133 0.18206 1.05745 -0.18822 0.18357 -0.21261 -0.11278 0.11147 -0.76279 0.11005 -0.09184 -0.27362 -0.03757 -0.35083 0.45984 -0.49569 0.86341 0.96687 -0.38469 0.13445 -0.06329 0.08558 -0.01026 0.00538 0.00020 -0.00034 0.00112 -0.00022 -0.00565 0.00473 -0.00889 0.00298 0.01436 0.04131 -0.03764 -0.06117 -0.03912 0.09590 -0.07377 0.04398 -0.01205 0.32590 -0.13806 0.07126 -0.25892 -0.44418 0.76943 -0.88976 -1.20217 0.77446 -1.49993 -0.23093 1.15011 -0.61165 -1.14976 -0.21647 0.42810 0.56087 -0.70674 -0.64143 -0.32323 0.60597 0.18375 -0.34602 -0.16564 -0.05373 0.04327 -0.00119 -0.56915 -1.04323 -0.84071 0.18132 -0.45691 0.09411 -0.03429 0.03605 0.01269 -0.01232 -0.00003 -0.00018 -0.00040 -0.00027 0.01131 0.05291 0.05372 0.11497 -0.02082 0.15225 -0.10227 -0.06323 0.00897 -0.12449 0.13246 -0.01783 -0.11737 0.04759 -0.00801 -0.00520 -0.01528 -0.01817 0.03995 0.10271 0.02028 -0.06558 -0.04402 -0.04761 -0.02705 0.11232 -0.07397 0.01299 -0.05151 0.08417 -0.02384 0.03396 0.14755 0.13194 -0.25866 -0.17575 0.22759 -0.11199 0.09508 0.63615 -0.79514 0.01405 0.69211 0.44068 -0.63270 -0.02892 0.02374 -0.00229 0.01561 0.00383 0.00012 -0.00086 0.00416 0.00065 -0.00140 -0.00432 -0.00037 0.01917 -0.00894 0.08860 -0.05468 -0.03763 0.02033 -0.09334 0.10002 -0.01063 -0.22218 0.18736 -0.25847 -0.19346 -0.15112 -0.87111 0.81889 0.80541 -0.34881 -0.90664 -1.66280 0.06296 -0.32617 1.20097 -1.16384 -0.04825 -0.72827 0.68392 -0.50668 0.08067 0.27783 0.51001 0.64846 -0.25258 -1.68816 0.15592 -0.76901 -1.05208 1.76446 0.23508 -1.56890 -0.44617 -0.03846 -0.02975 -0.16190 0.09318 0.03051 -0.00830 -0.00007 -0.00024 -0.00038 -0.00029 0.00893 0.05756 0.05744 0.12858 0.08850 0.03549 0.14813 0.05298 -0.00729 -0.08538 -0.19492 -0.02373 0.03754 -0.07943 0.00113 0.03951 0.00409 0.00371 0.08431 -0.08975 -0.00511 -0.06995 -0.01061 -0.05229 0.01778 0.02201 0.13155 0.10370 -0.00999 -0.00493 0.01015 -0.07632 0.11892 0.02679 -0.21663 -0.24519 0.24529 -0.16315 0.23121 0.52013 0.79312 0.02887 -0.71182 0.50998 -0.63098 0.10740 0.02312 0.00004 0.01341 0.00748 0.00001 0.00026 0.00381 0.00101 -0.00167 -0.01664 0.01326 0.04458 0.02898 0.03222 0.09745 0.09409 -0.00727 -0.04661 -0.18415 -0.08293 0.03130 -0.26395 -0.19959 0.16579 0.00474 -0.63297 1.44041 -0.54921 -0.01115 -1.17846 1.16683 -0.15274 0.14965 -0.14556 1.50556 1.25802 -0.49838 -0.33683 0.52742 0.11460 0.09222 -0.44923 -1.50834 0.33697 -1.29658 0.06209 -0.84106 -1.35081 -1.73355 0.17039 1.54111 -0.66568 0.34545 -0.40192 -0.16163 0.06952 0.01309 -0.02421 0.00002 0.00004 -0.00030 -0.00045 0.00227 0.02143 0.09084 -0.10512 0.02908 -0.06440 0.06459 0.12028 0.07557 -0.16508 0.15980 -0.02267 -0.01724 0.00683 0.03913 -0.02038 -0.00690 -0.04006 -0.00106 -0.12551 -0.06733 0.08081 -0.02599 -0.04638 0.08009 -0.05682 0.03709 0.00582 0.04884 0.00750 -0.01621 0.07848 0.18800 0.09720 -0.03061 -0.02338 -0.28890 -0.04539 0.03706 0.53766 0.68151 0.74392 0.70266 -0.49237 0.29626 -0.09394 0.02503 0.00850 -0.00055 -0.00193 0.00009 -0.00033 0.00052 0.00408 -0.00350 0.00245 0.00534 -0.03071 0.02483 -0.02729 0.03037 0.07134 0.05294 -0.13376 0.12352 -0.01926 -0.08022 0.09350 -0.03313 -0.28697 0.32340 -1.00663 0.26647 -1.40701 -0.77426 1.28954 -0.93707 0.26685 0.12746 -0.44404 -0.30355 -0.26692 0.61753 0.36617 -0.49317 -0.16956 0.10335 0.24073 -0.06442 -1.23279 0.83762 -0.40402 0.03855 -0.86095 -1.32420 -1.37909 -1.08501 -0.03940 -0.38769 0.08449 -0.12403 -0.12624 0.01178 -0.00938 -0.00002 -0.00005 -0.00030 -0.00046 0.00311 0.02040 0.09037 -0.10573 -0.01487 -0.00749 -0.15873 -0.02300 0.05397 -0.07522 -0.21826 0.02790 0.00397 -0.00458 0.03420 -0.01989 -0.00944 -0.03821 0.00835 0.13446 -0.00007 0.09424 0.05505 -0.05858 -0.04804 -0.01685 -0.05083 -0.03048 0.05263 -0.02381 -0.03173 0.01343 0.16736 -0.12861 -0.22404 -0.12438 -0.22733 0.12274 0.16381 0.40932 -0.68966 0.51505 -0.83965 -0.66176 0.16406 0.05009 0.02541 0.00954 0.00106 0.00241 -0.00008 0.00039 0.00053 0.00413 0.00116 -0.00875 0.01173 -0.02514 -0.00524 0.01033 -0.09039 0.02075 0.03208 -0.05945 -0.16940 -0.02969 0.02137 -0.19316 -0.03181 -0.27791 0.26613 -0.82852 0.52337 1.50969 0.24994 1.28556 1.09549 0.16318 -0.07368 -0.62740 0.12829 -0.00783 0.71689 -0.14429 0.00780 -0.08109 0.00669 -0.00131 -0.45817 -0.96171 0.89199 -0.70883 -0.09827 -0.75235 1.44699 -0.95727 1.65503 0.33431 0.00752 -0.02363 -0.12642 -0.12880 -0.00824 -0.00247 -0.00003 -0.00004 -0.00027 -0.00045 0.00143 0.01969 0.09756 -0.10101 0.04876 0.06605 0.01973 -0.00150 -0.25940 0.08557 0.02971 0.01323 -0.00980 -0.00700 -0.05679 0.01930 0.02156 0.02032 0.00603 -0.03008 0.15134 0.01699 -0.04378 0.00100 -0.01151 0.11685 0.06691 0.02815 0.04936 0.04745 -0.01056 0.03483 0.14753 -0.03627 -0.14794 -0.08531 -0.14818 0.21075 -0.02341 0.53278 0.16327 -1.17333 0.09077 -0.67356 0.11277 0.05161 0.02304 0.00927 0.00295 0.00243 0.00024 0.00036 0.00029 0.00364 -0.00084 -0.00930 0.01554 -0.03079 0.02130 0.02651 0.01220 -0.00189 -0.20901 0.06170 0.01405 -0.02786 -0.06720 -0.22319 -0.32722 -0.07249 0.26070 -0.53518 -0.76799 -0.46597 2.15014 0.21435 -0.29742 0.02426 -0.06240 0.63777 0.27499 0.25843 0.57401 -0.15202 -0.17801 0.78653 0.95702 -0.22165 0.17008 -0.74751 0.64586 -0.47019 -0.03279 -1.22201 -0.24407 2.22474 -0.10540 0.55034 0.33727 -0.27777 -0.10482 -0.11708 -0.02981 -0.01933 -0.00017 0.00014 0.00001 -0.00003 0.05095 0.10202 -0.10904 -0.09384 0.18625 0.07634 -0.05671 -0.00245 0.09117 0.04839 0.02866 -0.09957 0.10066 0.00401 -0.06992 0.06771 0.09971 -0.01796 -0.04705 0.01022 -0.02935 -0.03438 -0.00592 -0.06690 -0.01187 0.07023 0.02164 0.02393 0.01541 0.15359 0.05849 -0.19720 -0.03119 0.14707 -0.15827 -0.25585 -0.20195 0.12782 1.14175 -0.18306 -0.03157 -0.10035 0.16593 0.30157 0.62209 0.52072 0.00182 0.00029 -0.01761 0.01702 0.00002 0.00234 0.00110 0.00185 -0.01058 0.00087 -0.03803 -0.04567 0.12341 0.06466 -0.04072 0.00058 0.08618 0.03510 0.02262 -0.14774 0.07581 0.03591 -1.08188 0.78694 0.97328 -0.39219 -0.79058 0.15587 -0.71104 -0.07188 0.27224 -0.55592 0.11267 -0.02490 0.01956 -0.08242 -0.47202 0.22862 0.20046 -0.89092 -1.14893 -0.51510 -0.71885 -0.68241 0.28234 -0.48328 -1.87482 0.77165 0.07974 0.05912 0.07214 -0.52533 0.23293 -0.01614 -0.08092 -0.03591 -0.10642 0.00299 0.00018 -0.00003 -0.00008 -0.00006 0.11554 -0.11858 0.06119 0.06729 0.15197 -0.10654 -0.06549 -0.12886 -0.02842 -0.04415 0.05982 0.02795 0.10192 -0.08163 -0.08509 -0.11927 -0.06305 0.01266 0.00867 -0.00966 -0.05299 -0.05059 0.00460 -0.02470 -0.01555 -0.07747 -0.03619 0.02444 0.04241 0.01760 0.04525 -0.26792 0.18190 -0.08548 0.18890 -0.53289 0.14625 1.17215 -0.16109 0.01300 0.05263 0.11783 0.03679 0.24713 0.04704 -0.58031 0.00486 -0.00064 0.00465 -0.02222 0.00114 0.00028 0.00074 -0.00007 0.00316 -0.03106 0.02347 0.03230 0.09482 -0.06469 -0.05942 -0.08043 -0.01804 -0.02890 0.04625 0.00852 0.04538 -0.73314 -0.74284 -1.06920 -0.48049 0.12865 -0.27635 -0.06550 -0.24872 -0.18855 0.07972 -0.07999 0.03134 -0.06903 -0.27295 -0.10916 -0.01168 0.01723 0.47550 0.26410 -0.15211 -0.73031 0.70311 -0.13638 -0.75102 -1.39209 0.39164 0.54052 -0.13235 -0.31489 -0.07497 0.25958 -0.06137 0.00832 -0.02180 0.02287 -0.02293 -0.05933 1 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 2 N 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 H 1S 2S 6 H 1S 2S 7 H 1S 2S 8 H 1S 2S 9 H 1S 2S 10 H 1S 2S 11 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 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 N 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 H 1S|2S|6 H 1S|2S|7 H 1S|2S|8 H 1S|2S|9 H 1S|2S|10 H 1S|2S|11 H 1S|2S 1.13247 0.85932 0.95933 0.93097 1.25892 1.02380 1.11887 0.48355 0.30119 0.38044 1.15974 0.83050 0.88148 0.79584 0.90897 0.80549 1.20941 0.10570 0.09373 0.46986 1.17430 0.81426 0.74182 0.57954 0.81344 0.92692 0.91318 0.04665 0.15612 0.17247 1.17421 0.81437 0.72875 0.65809 0.90451 0.90186 0.92142 0.19324 0.17314 0.20978 0.51870 0.27356 0.51735 0.27401 0.51276 0.26486 0.51225 0.24876 0.51391 0.27874 0.51771 0.20260 0.49612 0.14099 -0.2162 0.6494 -0.2303 0.7221 -24.2686 -23.3357 -26.7479 -0.0110 -2.0980 2.9479 0.5155 1.4484 -1.9639 -0.0110 -2.0980 2.9479 9.4540 1.9829 0.9932 6.1235 0.8880 -4.1558 2.1663 -1.6851 -1.0995 3.9184 -239.5743 -90.2439 -51.0391 -5.9897 -9.9702 -5.5869 -2.2604 2.1169 -0.6189 -51.0531 -48.2838 -26.0149 4.0907 -1.9281 -3.3672 0 0 0 0 0 0 0 0 0 0 0 54.0275 AuxInfo=1/0/N:4,3,2,1/rA:11ONCCHHHHHHH/rB:s1;s2;s3;s3;s3;s4;s4;s4;s2;s1;/rC:;;;;;;;;;;; 0.000000 1.510703 0.000000 2.421067 1.492621 0.000000 3.033041 2.499878 1.535447 0.000000 2.607082 2.166940 1.112478 2.183378 0.000000 3.352057 2.081059 1.109401 2.185631 1.796586 0.000000 3.452948 2.730261 2.182978 1.104462 3.103585 2.536928 0.000000 2.738414 2.794674 2.178959 1.103912 2.523044 3.101014 1.794232 0.000000 4.013993 3.457685 2.184619 1.104905 2.526548 2.530066 1.794521 1.788569 0.000000 2.002513 1.037805 2.079865 3.395303 2.460108 2.343802 3.672256 3.743254 4.237548 0.000000 0.992294 1.973498 3.006589 3.258000 3.416489 3.902928 3.413153 2.851508 4.321598 2.616979 0.000000 14.4214280 5.1125585 4.3021944 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= 54 54 54 54 54 MxSgAt= 11 MxSgA2= 11. 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 11 11 11 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 11 11 11 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 11 11 11 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 11 11 11 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= 3675 LenC2= 738 LenP2D= 2968. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 54 RedAO= T EigKep= 7.71D-03 NBF= 54 NBsUse= 54 1.00D-06 EigRej= -1.00D+00 NBFU= 54 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= 54 54 54 54 54 MxSgAt= 11 MxSgA2= 11. 1 Closed 1 0 1 -209.945139923506 -209.975895576251 -0.030755652745 -210.049612895202 -0.073717318951 -210.051307491044 -0.001694595841 -210.054244828386 -0.002937337342 -210.054265830444 -0.000021002058 -210.054269197939 -0.000003367495 -210.054319082721 -0.000049884782 -210.054319090332 -0.000000007611 -210.054319100412 -0.000000010080 -210.054319101512 -0.000000001100 -210.054319101980 -0.000000000468 -210.054319101981 -0.000000000001 -210.054319101980 0.000000000000 -210.054319102 14 2.094018551326e+02 -7.602085427205e+02 2.066065069478e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=2005087. IVT= 28076 IEndB= 28076 NGot= 2818572288 MDV= 2817440858 LenX= 2817440858 LenY= 2817437501 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= 1485 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Integral accuracy reduced to 1.0D-05 until final iterations. -8.50514627e-02 2.55486563e-01 -9.06243931e-02 1 2 3 4 5 6 7 8 9 10 11 8 7 6 6 1 1 1 1 1 1 1 0.014712751 -0.022611658 0.011735902 -0.004594894 0.019027511 -0.010252481 -0.013753771 0.001691534 0.001320946 -0.005571340 -0.003916780 -0.000108955 -0.000224077 -0.002056892 0.011260748 -0.000435576 0.008688776 -0.003014894 0.000153062 0.001256576 -0.006310390 0.003564017 -0.003940408 0.001649999 -0.006507365 0.000050684 0.003043019 0.004330449 0.017799573 0.001109467 0.008326745 -0.015988915 -0.010433361 0.022611658 0.009052721 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -210.060109168152 -210.060143421278 -0.000034253126 -210.060143295185 0.000000126094 -210.060144177685 -0.000000882501 -210.060144369900 -0.000000192215 -210.060144384850 -0.000000014949 -210.060144385096 -0.000000000247 -210.060144385128 -0.000000000031 -210.060144385131 -0.000000000004 -210.060144385 9 2.090619714617e+02 -7.531890076331e+02 2.033440139083e+02 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep J ints in memory in canonical form, NReq=2005087. IVT= 28076 IEndB= 28076 NGot= 2818572288 MDV= 2817440858 LenX= 2817440858 LenY= 2817437501 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= 1485 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 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 -18.775981 -14.029562 -9.921809 -9.880441 -0.945466 -0.765273 -0.654938 -0.538456 -0.449935 -0.431649 -0.384216 -0.356475 -0.329055 -0.316150 -0.302690 -0.227209 -0.188611 0.014479 0.064114 0.093251 0.116571 0.119651 0.150180 0.176550 0.185332 0.200871 0.204696 0.277986 0.283963 0.301519 0.325046 0.367806 0.440162 0.487888 0.533590 0.635254 0.656193 0.718550 0.765649 0.874656 0.891256 0.903863 0.929351 0.985975 1.073362 1.088125 1.113128 1.237967 1.398425 1.565112 22.511205 22.633989 31.433112 41.434565 29.120086 22.050640 15.959192 15.957258 2.446455 2.032950 1.534902 1.482734 1.520321 1.327374 1.201246 1.837374 1.246585 1.434577 1.117645 2.343734 1.917915 2.647007 1.298045 1.442659 1.268835 1.176052 1.070753 1.065144 1.256509 1.216347 1.305158 1.340596 1.482338 1.165778 1.297201 2.184242 2.713042 1.997931 2.254008 2.192776 2.467880 2.562396 2.397745 2.349745 3.075005 3.069128 2.913296 3.034619 2.479977 2.604479 2.704693 2.864449 3.570961 4.574351 57.408869 57.380487 80.072449 105.854494 2.090619714617D+02 PT118.200S Mon Sep 4 14:59:15 2017 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 O N C C H H H H H H H -0.448871 -0.260722 -0.338695 -0.679382 0.207737 0.208642 0.222381 0.238988 0.207344 0.279691 0.362888 0.00000 -0.76527 -0.65494 -0.53846 -0.44994 -0.43165 -0.38422 -0.35648 -0.32905 -0.31615 -0.30269 -0.22721 -0.18861 0.01448 0.06411 0.09325 0.11657 0.11965 0.15018 0.17655 0.18533 0.20087 0.20470 0.27799 0.28396 0.30152 0.32505 0.36781 0.44016 0.48789 0.53359 0.63525 0.65619 0.71855 0.76565 0.87466 0.89126 0.90386 0.92935 0.98598 1.07336 1.08813 1.11313 1.23797 1.39842 1.56511 22.51121 22.63399 31.43311 41.43457 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 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 -18.77598 -14.02956 -9.92181 -9.88044 -0.94547 -0.76527 -0.65494 -0.53846 -0.44994 -0.43165 -0.38422 -0.35648 -0.32905 -0.31615 -0.30269 -0.22721 -0.18861 0.01448 0.06411 0.09325 0.11657 0.11965 0.15018 0.17655 0.18533 0.20087 0.20470 0.27799 0.28396 0.30152 0.32505 0.36781 0.44016 0.48789 0.53359 0.63525 0.65619 0.71855 0.76565 0.87466 0.89126 0.90386 0.92935 0.98598 1.07336 1.08813 1.11313 1.23797 1.39842 1.56511 22.51121 22.63399 31.43311 41.43457 0.58058 0.00000 0.00001 0.00000 -0.11575 0.06263 -0.01948 -0.01177 0.00454 -0.01632 -0.01097 -0.04639 -0.00588 -0.02350 0.00737 -0.00009 0.01335 -0.05197 -0.02277 -0.00816 -0.00031 0.00609 0.00986 0.00119 -0.00690 -0.00079 0.00761 -0.00270 0.00063 -0.00431 0.00420 0.01266 0.00505 -0.00411 0.01078 0.01238 0.01132 -0.00666 0.01256 -0.00276 0.00841 -0.05943 0.00560 -0.01443 -0.00002 0.01515 0.02159 -0.03149 -0.04027 0.12962 -0.00305 0.00239 -0.00107 -1.73051 0.45934 0.00001 0.00005 0.00000 -0.15368 0.08342 -0.02600 -0.01581 0.00596 -0.02189 -0.01462 -0.06231 -0.00782 -0.03155 0.00971 -0.00024 0.01737 -0.06934 -0.03044 -0.01040 -0.00051 0.00761 0.01312 0.00179 -0.00927 -0.00090 0.00988 -0.00347 0.00110 -0.00530 0.00643 0.01811 0.00731 -0.00396 0.01213 0.01882 0.01597 -0.01064 0.01709 -0.00158 0.01451 -0.09149 0.00702 -0.02270 0.00059 0.02422 0.03484 -0.05095 -0.06368 0.21802 0.00063 -0.00049 0.00063 1.88184 0.00827 -0.00013 -0.00049 0.00003 0.44236 -0.24501 0.07759 0.04860 -0.01647 0.06735 0.04246 0.18853 0.02268 0.09434 -0.02522 0.00319 -0.03829 0.18989 0.08146 0.01368 0.00233 -0.00771 -0.03584 -0.00918 0.02609 -0.00244 -0.02002 0.00604 -0.00845 0.00288 -0.03788 -0.08257 -0.03378 -0.03266 0.03613 -0.10554 -0.05539 0.07387 -0.04731 -0.04741 -0.12995 0.56433 0.00162 0.14585 -0.01629 -0.17177 -0.25369 0.37203 0.43290 -1.89625 0.01758 -0.01536 0.01111 -0.42684 -0.00583 0.00151 0.00106 -0.00017 0.37215 -0.23851 0.07980 0.04758 -0.03488 0.07282 0.07499 0.22584 0.02772 0.11778 -0.06664 -0.01803 -0.13466 0.71962 0.41663 0.27781 -0.00082 -0.20846 -0.14577 -0.00446 0.11827 0.03413 -0.17689 0.06172 -0.00178 0.15391 0.09847 0.04634 -0.00035 0.42919 -0.90579 0.17304 -0.18564 -0.29737 -0.39128 0.16994 0.32169 -0.67995 -0.15670 -0.11642 0.09080 0.24456 0.40912 -0.30754 -0.18207 3.20888 -0.03227 0.03487 -0.08858 0.42127 -0.00042 -0.00008 0.00007 0.00005 -0.04884 -0.04351 0.02745 0.04141 0.24387 0.01899 -0.07307 0.05975 0.11408 0.11118 0.04800 0.60984 -0.08209 -0.24474 0.07975 0.15474 -0.03950 -0.09886 0.00955 0.02378 0.03128 0.02766 -0.00376 0.05023 0.05277 0.11746 0.04263 0.13142 0.06686 0.09861 -0.41241 -0.25517 0.05191 0.36969 0.52873 -0.13065 -0.09984 0.20341 -0.05335 0.09609 -0.08241 -0.03132 -0.08191 -0.09803 -0.15644 0.05578 -0.00436 0.00058 0.00570 0.00460 0.00023 0.00004 -0.00008 -0.00002 0.03910 0.09150 -0.09666 -0.14198 -0.26654 0.20250 0.24848 -0.05447 0.05933 -0.09610 -0.11322 0.34989 0.07393 0.31076 -0.23736 -0.31542 -0.06072 0.06311 -0.06052 -0.02704 -0.00538 0.02457 -0.10794 -0.01973 0.07185 -0.01267 0.04755 0.03526 0.01076 -0.18956 -0.09653 0.24017 0.35366 0.59508 -0.19926 -0.07276 0.03765 -0.34488 -0.01637 0.00600 0.03084 0.04980 -0.09463 0.01476 0.14905 -0.08439 0.00394 -0.00194 -0.00463 -0.00487 -0.00151 -0.00006 -0.00005 0.00003 -0.13420 0.09105 -0.03326 -0.02237 -0.14293 0.13406 0.05497 0.42285 0.06025 0.26017 -0.03019 -0.10842 -0.27363 -0.29685 -0.16875 -0.14650 0.00864 0.13639 -0.03987 -0.04865 -0.03195 -0.00334 0.00929 -0.02436 -0.01570 -0.03981 -0.13038 -0.14168 -0.06501 0.04981 -0.25759 -0.34856 -0.52169 0.28659 -0.34257 0.17934 0.08771 -0.24049 -0.04154 -0.21345 0.03772 0.03970 0.02087 -0.10000 -0.03861 -0.03307 0.00066 -0.00257 0.00493 0.00746 0.00070 -0.00038 -0.00065 0.00017 -0.01039 -0.00587 0.00220 0.01021 0.08544 0.02598 -0.01897 0.04662 0.05547 0.06520 0.02694 0.33044 -0.03307 -0.21853 0.08198 0.22295 0.01334 -0.07547 0.03780 0.00571 -0.00869 0.00593 0.05931 -0.05112 -0.02435 -0.08019 0.08162 0.13102 -0.03029 -0.36533 0.68512 0.17277 0.19279 -0.39653 -1.07764 0.27987 0.25295 -0.38061 0.10994 -0.31192 0.08949 0.11068 0.20837 -0.08245 0.09608 -0.61366 0.01639 -0.02323 0.03102 -0.04625 -0.00069 0.00100 0.00069 0.00005 0.00789 0.00578 -0.02208 -0.04052 -0.07519 0.06431 0.09089 -0.05283 0.02176 -0.06113 -0.04531 0.18008 0.02753 0.26328 -0.33772 -0.37233 -0.08314 0.06882 -0.14345 -0.10818 -0.06890 -0.05413 -0.17607 -0.04828 -0.04503 -0.02280 0.00544 0.00133 0.01314 0.39684 -0.48460 -0.57423 -0.58758 -1.44989 0.37126 -0.27899 -0.05547 0.64810 0.09255 0.21691 -0.10283 -0.15049 0.33411 0.26089 0.17466 0.78613 -0.02459 0.01603 -0.06042 0.05415 0.00168 0.00012 0.00026 -0.00003 -0.02939 0.01629 -0.00613 -0.00237 -0.04184 0.05177 0.00928 0.17962 0.02728 0.11304 -0.00328 -0.05204 -0.14535 -0.31092 -0.28889 -0.25620 -0.05036 0.11251 -0.06584 -0.01549 -0.09227 -0.06812 0.08486 0.00148 0.01174 -0.03948 -0.11005 -0.11618 0.04696 0.00143 0.44835 0.31690 0.79266 -0.51635 0.84947 -0.81227 -0.35474 0.15100 0.34752 0.44567 -0.00559 -0.13256 -0.05095 0.38976 0.10164 -0.53556 -0.00588 0.00693 -0.00242 -0.07237 0.00000 0.59307 0.00000 0.00000 -0.06539 -0.08866 0.05476 0.03224 -0.00676 0.02560 0.00324 0.02617 0.01562 -0.00340 -0.00122 -0.00104 0.04230 0.04955 -0.05242 0.00385 0.03547 -0.00343 0.01025 0.00145 0.00894 0.00426 0.00580 -0.00626 0.00091 0.00967 0.01546 -0.03518 -0.00257 0.00792 -0.00130 -0.00282 0.02511 0.00142 0.00100 0.02405 -0.01466 0.01185 0.07397 -0.03653 0.00299 0.00718 0.01687 -0.05803 -0.10541 -0.03602 -0.00877 0.00162 -1.76126 0.00102 0.00000 0.44330 0.00005 0.00003 -0.08355 -0.11390 0.07064 0.04172 -0.00878 0.03351 0.00424 0.03430 0.02040 -0.00428 -0.00156 -0.00151 0.05506 0.06425 -0.06794 0.00443 0.04487 -0.00510 0.01273 0.00169 0.01291 0.00469 0.00687 -0.00848 0.00152 0.01304 0.02201 -0.04952 -0.00462 0.00802 -0.00054 -0.00215 0.03756 0.00149 0.00285 0.03848 -0.02378 0.01639 0.11378 -0.05874 0.00585 0.01126 0.02550 -0.09430 -0.17745 -0.06581 0.00557 -0.00111 1.92709 -0.00173 -0.00015 0.01371 -0.00017 -0.00027 0.23422 0.33136 -0.20850 -0.12490 0.02909 -0.10757 -0.01474 -0.11212 -0.06262 0.00800 0.00424 0.00647 -0.16473 -0.17905 0.17890 0.01158 -0.08291 0.02454 -0.02256 0.00152 -0.07230 0.01308 0.00101 0.03080 -0.01450 -0.04852 -0.11753 0.24267 0.04908 0.06252 -0.04617 -0.06464 -0.24686 -0.00990 -0.03303 -0.30462 0.23717 -0.08121 -0.80184 0.49508 -0.07360 -0.08869 -0.16376 0.81858 1.78925 0.86554 0.01315 0.00553 -0.49518 0.01968 0.00126 -0.01178 0.00215 -0.00007 0.18520 0.27832 -0.19868 -0.14260 -0.00789 -0.07150 0.00008 -0.09170 -0.09687 0.04551 0.01480 -0.00315 -0.24887 -0.71451 1.02393 -0.35974 -1.02188 0.03258 -0.36441 -0.12362 0.24122 -0.38329 -0.34932 0.10047 0.06371 0.06033 0.33755 -0.27183 -0.28355 -0.76384 0.17205 0.99803 0.36982 0.11933 -0.31138 0.32513 -1.17306 0.00249 1.05678 -1.07497 0.20319 0.12513 0.09522 -0.94412 -3.96891 -2.38708 -0.08257 0.06357 0.64651 -0.10681 0.00007 0.00035 0.00019 0.00016 0.04980 -0.07491 -0.09038 -0.19801 0.07656 0.34596 0.08621 -0.16514 0.21352 -0.09176 -0.01579 -0.13790 0.06015 -0.26659 0.11983 0.03327 0.15503 0.10200 0.34587 -0.01415 0.24110 -0.06563 0.21141 0.17667 -0.06300 -0.04268 -0.00020 -0.27290 0.12432 -0.22393 -0.52395 -0.19911 0.41192 -0.35587 -0.21290 -0.07038 0.21953 -0.07511 -0.16061 0.14823 0.00354 0.06137 0.08310 -0.15706 0.04515 -0.15351 -0.00854 -0.00324 0.00095 -0.00688 -0.00011 0.00002 0.00005 0.00011 -0.06788 0.08193 -0.07038 -0.01241 0.39216 0.07442 -0.15952 0.14736 0.10751 0.14341 0.05080 -0.07514 0.02888 0.41921 0.13345 -0.38260 -0.11091 0.08793 0.06731 -0.06560 0.18648 -0.05081 -0.15639 0.07676 0.01376 -0.03746 0.14076 -0.06532 0.07217 -0.11416 0.48380 -0.63964 0.17029 0.08940 0.03225 -0.10250 0.10205 -0.04981 -0.32845 0.10249 0.02081 0.03675 -0.04162 -0.17563 -0.07523 0.11627 -0.00491 -0.00281 -0.00469 0.01008 0.00004 0.00189 -0.00008 -0.00001 0.07624 0.11227 -0.05895 0.00475 -0.08370 0.07718 -0.06016 0.19478 -0.05936 0.00052 0.07782 0.01721 0.59773 -0.21993 0.13095 -0.07230 -0.15632 -0.08016 -0.04823 -0.03510 -0.03172 -0.07817 0.07298 -0.00184 -0.06598 0.19717 -0.17399 0.07582 0.05976 0.78437 0.06439 -0.11817 0.27614 0.04788 -0.31347 -0.11821 -0.04690 -0.07178 -0.05762 0.04287 0.01810 -0.01474 0.07724 0.03378 -0.01158 -0.06252 0.00214 -0.00071 -0.00701 -0.00331 0.00099 0.00005 -0.00208 -0.00108 0.00116 0.00609 -0.00628 -0.03018 0.01089 0.07140 0.02791 -0.02996 0.07953 -0.00535 -0.01014 0.03727 -0.00138 -0.23023 0.24413 -0.11266 0.49792 0.35854 0.73891 0.10018 0.30692 0.14515 0.52799 0.08209 0.05930 0.22216 -0.10369 -0.34849 -0.00493 0.57347 1.58084 0.90893 -0.83455 1.52991 1.38596 0.67524 -0.14559 -0.36753 0.49044 -0.22393 -0.04475 0.05466 -0.58733 0.40928 0.65749 -0.51716 0.10321 -0.01812 -0.03111 -0.07389 -0.00107 -0.00018 0.00010 -0.00110 0.00380 0.00985 -0.00541 0.00036 0.08575 0.00061 -0.04063 0.03698 0.01906 0.04971 0.00824 -0.02371 0.00012 0.35454 0.30630 -0.67540 -0.10915 0.23613 0.38971 -0.13820 0.24222 -0.05943 -0.29335 -0.06601 -0.02115 0.30988 0.31557 0.34192 -0.01585 0.74168 -1.55073 1.70587 -0.99175 -0.58523 0.21049 0.84920 -0.17369 0.16805 0.27784 -0.19030 -0.16589 0.12967 0.07519 0.37269 -0.20523 0.67151 0.02373 0.04267 0.00013 0.07618 0.00029 -0.00328 0.00010 -0.00016 0.01485 0.02602 -0.01567 -0.00546 -0.03233 0.04052 -0.01248 0.09992 -0.01668 0.03150 0.02751 0.00931 0.32924 -0.22872 0.31934 -0.12001 -0.28100 -0.07022 0.01532 0.07427 0.02893 -0.27009 0.12738 -0.09119 0.07643 0.27950 -0.25760 0.02198 -0.16149 -1.52209 0.16705 0.47957 -0.59334 0.19888 0.49437 0.54474 -0.18683 0.08433 -0.14941 -0.37896 0.12861 0.20432 -0.36298 -0.32634 -0.94120 -0.61340 -0.00533 0.01137 0.13139 -0.03303 0.00000 0.00001 0.60047 -0.00062 -0.01888 -0.07316 -0.05610 -0.08061 0.00684 -0.00969 -0.00212 0.00670 -0.01295 -0.00329 -0.00350 -0.01348 -0.01092 -0.00299 -0.01661 0.01432 -0.08335 -0.02013 0.00593 -0.00014 -0.00775 -0.01271 -0.01166 0.01735 -0.00352 0.00303 -0.01722 0.04976 -0.05484 0.02284 0.01424 -0.00698 0.00008 0.00520 0.03344 0.05613 0.10090 -0.02418 0.05190 0.05699 -0.00094 -0.00009 -0.00169 -0.02082 0.02029 -0.02188 -1.43147 1.02660 0.00764 0.00415 0.00004 0.00007 0.43402 -0.00034 -0.02367 -0.09184 -0.07068 -0.10231 0.00868 -0.01216 -0.00272 0.00911 -0.01676 -0.00434 -0.00458 -0.01759 -0.01443 -0.00396 -0.02139 0.01738 -0.10775 -0.02808 0.00681 -0.00047 -0.00973 -0.01616 -0.01554 0.02496 -0.00501 0.00329 -0.02469 0.06837 -0.07640 0.03408 0.02052 -0.01090 0.00435 0.00533 0.05651 0.09792 0.16372 -0.04203 0.08755 0.08781 -0.00153 0.00005 -0.00184 -0.04387 0.04325 -0.03585 1.57169 -1.13449 -0.01177 -0.00770 -0.00031 -0.00045 0.01960 -0.00062 0.06546 0.25226 0.19735 0.29299 -0.02861 0.03033 0.00762 -0.03042 0.04954 0.01794 0.01608 0.05318 0.05942 0.01436 0.04877 -0.00672 0.22492 0.12071 0.02047 0.01014 0.00929 -0.00063 0.03613 -0.13945 0.02527 0.02376 0.13684 -0.27707 0.33799 -0.26778 -0.11931 0.07887 -0.11265 0.01459 -0.61074 -1.00239 -1.60069 0.45048 -0.83939 -0.70817 0.02444 0.00654 0.00129 0.69526 -0.92420 0.33827 -0.42636 0.33765 0.03169 0.02534 0.00071 0.00449 -0.02126 0.00452 0.01199 0.17143 0.15867 0.29393 -0.00949 0.01758 -0.00216 -0.03867 0.03882 -0.03854 0.00681 0.16251 -0.02677 -0.04629 0.55224 -0.76459 2.76084 0.25968 -0.88050 -0.08259 0.33295 0.84946 0.37238 0.36358 -0.00767 -0.51485 -0.13005 -0.75330 0.10496 1.60710 0.73951 0.32311 -0.02280 0.58488 2.28149 1.29747 4.95824 -0.94709 2.08887 1.88597 -0.12097 -0.27070 -0.07382 -1.97273 4.29627 -0.08365 0.62357 -0.68868 -0.28012 -0.04273 -0.00010 0.00034 0.00031 -0.00005 0.03937 0.07858 -0.12702 0.01837 -0.09613 -0.18143 -0.22449 0.18468 -0.20375 -0.10778 0.11837 0.16259 0.04419 0.08174 -0.16014 0.13593 0.05266 0.04133 0.38622 -0.10016 0.22633 0.17995 -0.06934 -0.01195 0.14758 -0.01059 0.16576 -0.75540 -0.66104 0.03944 -0.12307 -0.00316 0.09523 -0.05627 0.09418 -0.05419 -0.03605 -0.05534 0.03765 0.21939 0.10429 0.03303 -0.14059 0.22862 0.24414 0.26856 0.00370 0.00280 -0.02775 0.01165 0.00005 0.00003 0.00011 0.00007 -0.00535 0.00845 -0.07043 0.12540 0.20340 0.04562 0.17395 0.16065 -0.15045 -0.26190 -0.26986 -0.01766 -0.01382 -0.00348 0.07638 -0.06700 -0.03212 0.22203 -0.16350 0.17815 0.07569 0.22847 0.55997 -0.33703 -0.15784 -0.01347 0.24965 0.31232 -0.57848 -0.03293 -0.08248 -0.18360 0.16443 -0.05097 0.01667 0.13919 -0.24310 -0.07972 -0.09762 -0.10316 -0.23115 -0.04302 0.22355 -0.00218 0.08572 -0.06975 -0.00220 0.00012 -0.00080 -0.00451 0.00002 -0.00011 -0.00007 0.00004 -0.01499 -0.04622 -0.00152 0.06745 -0.05286 0.32669 -0.21027 -0.02956 -0.01460 -0.25108 0.17719 -0.04237 -0.14848 -0.05176 0.13439 -0.00391 0.01830 0.11511 -0.05866 -0.27655 0.02028 0.47096 -0.37183 -0.22778 0.23242 0.22474 -0.53629 0.36072 -0.21031 -0.09102 0.02757 -0.11294 0.15648 -0.15684 0.00351 0.03550 -0.20976 -0.02464 0.01013 -0.18754 0.28028 0.01803 -0.22769 -0.07674 -0.05584 -0.03061 -0.00634 0.00302 0.00768 -0.00117 0.00025 0.00234 0.00053 -0.00200 -0.01216 -0.00953 0.00458 0.00737 -0.00256 -0.01369 -0.04893 0.08613 -0.01819 -0.00675 0.03507 0.03763 0.03186 0.26454 -0.49680 0.59100 0.21559 0.62735 1.47018 0.14080 -0.10091 0.70491 0.08818 0.38078 -0.30869 -0.94627 0.12330 1.53791 1.13454 0.56166 0.32987 -0.53520 -0.03697 0.52763 -0.88678 0.40065 -0.22181 0.03418 0.11031 -0.26231 -0.54225 -0.24439 0.40445 0.93555 0.68658 0.09428 0.02447 0.08358 -0.11251 -0.02661 0.00002 -0.00026 0.00074 -0.00259 0.00121 0.02521 -0.00423 0.01431 0.06732 0.01290 0.01989 -0.00311 -0.01983 -0.09624 -0.06509 0.03830 0.03002 0.13718 -0.24479 0.60684 -0.69143 0.76541 -0.89748 -0.04960 0.21505 0.29668 1.25113 1.08662 0.16944 -0.16691 -1.87932 -1.43182 0.98492 -0.47144 1.11106 -0.46526 0.26421 0.84244 1.11782 -0.26004 -0.24400 0.11109 0.57770 0.53658 0.83501 -0.12187 -0.92796 1.07991 -0.56875 0.47422 0.03817 0.10800 -0.00186 0.01437 -0.00054 0.00006 0.00079 -0.00097 0.00963 0.00316 0.00873 0.02392 -0.01787 0.06362 -0.05519 0.00471 -0.02364 -0.08095 0.06278 -0.07658 0.03185 -0.18794 -0.05522 0.37022 -0.50479 0.40671 -1.07216 -0.28671 0.57445 0.76426 -1.50776 0.46231 -0.30533 -1.13542 2.31846 0.31110 0.48719 0.94399 -1.22681 0.05401 0.19959 -0.85115 -1.44176 0.11444 0.29486 -0.02748 0.18743 0.34341 -0.98154 -0.24767 1.19504 0.56773 -0.58729 0.17570 -0.00012 0.05025 0.03089 0.03808 0.00000 0.00000 0.00062 0.60043 -0.00424 -0.02948 -0.09894 0.07030 -0.00918 -0.00074 0.00236 -0.00273 -0.00602 -0.00764 -0.00263 -0.00117 -0.01151 -0.00982 -0.00570 -0.03001 0.02582 -0.07822 -0.00680 -0.00038 0.01423 0.00837 0.00411 0.01309 -0.00097 -0.00126 0.00346 -0.00640 0.05948 -0.00911 -0.00041 -0.01895 -0.00098 -0.00698 -0.00996 0.08352 -0.09607 -0.03964 0.01613 0.07815 0.00024 0.00048 -0.01153 0.02625 -0.00018 0.00576 -1.02671 -1.43137 0.00397 -0.00024 0.00000 0.00003 0.00056 0.43399 -0.00526 -0.03692 -0.12452 0.08906 -0.01167 -0.00100 0.00300 -0.00346 -0.00787 -0.01000 -0.00345 -0.00155 -0.01512 -0.01262 -0.00835 -0.03804 0.03192 -0.10199 -0.00864 -0.00025 0.01835 0.01067 0.00503 0.01886 -0.00133 -0.00217 0.00435 -0.00828 0.08241 -0.01273 -0.00195 -0.03227 0.00324 -0.01032 -0.01187 0.14165 -0.15323 -0.06475 0.02631 0.12071 -0.00039 0.00046 -0.01956 0.05756 -0.00530 0.01142 1.12478 1.57836 -0.00607 0.00041 0.00003 -0.00018 -0.00069 0.01969 0.01337 0.09915 0.34100 -0.24897 0.03188 0.00289 -0.00750 0.00859 0.02514 0.03343 0.01111 0.00571 0.04450 0.02795 0.04881 0.05619 -0.02542 0.24402 0.01369 -0.00857 -0.02499 0.00687 0.00898 -0.10505 0.00664 0.02622 -0.00542 0.02251 -0.35070 0.07492 0.05718 0.33465 -0.17204 0.06578 0.02090 -1.42731 1.41195 0.58896 -0.21507 -0.92644 0.02307 0.00371 0.21351 -1.02334 0.25649 -0.18251 -0.28616 -0.45154 0.01249 -0.00521 -0.00044 -0.00020 0.00546 -0.02125 0.01184 0.07792 0.27188 -0.25141 0.05713 0.01362 -0.02878 0.02851 0.02529 -0.00025 0.01481 0.01757 0.15926 0.28568 -0.15539 1.37268 -1.02892 2.44024 0.13603 0.11043 -0.81648 -0.81517 -0.42715 0.41378 -0.06764 -0.42586 -0.28200 0.18466 -0.19963 -0.19634 -0.22781 -1.26372 1.01674 0.11339 -0.41053 2.91888 -4.68606 -1.00954 0.25350 2.02848 -0.03830 -0.13641 -0.53611 3.27174 -1.75199 0.82168 0.31176 0.85305 0.02036 0.04255 -0.00008 -0.00010 0.00011 -0.00002 0.00877 0.03024 0.01512 0.07895 -0.11141 -0.11256 -0.11816 -0.05959 0.44690 0.05495 -0.12422 -0.01697 0.06941 0.02384 -0.04245 0.04829 -0.07695 -0.13480 -0.02831 -0.21564 0.46024 -0.10082 0.03605 -0.09997 -0.30543 -0.58078 -0.33215 0.21079 -0.44161 0.02475 -0.01211 0.05079 0.00900 0.12534 0.00628 -0.10435 -0.25826 0.05910 -0.04812 0.10092 0.15915 -0.38852 0.11242 -0.06224 -0.14794 0.07861 -0.00424 0.00507 0.00693 0.00638 -0.00003 -0.00013 0.00008 0.00003 0.00557 0.03139 0.03007 0.11413 0.01981 0.01451 0.26612 -0.13600 0.05593 0.24608 0.30794 -0.06235 0.07266 0.00452 -0.05761 -0.07190 -0.09264 -0.05742 0.00494 0.27205 0.06037 0.26605 0.12146 0.59588 0.46417 -0.05972 -0.02386 0.23368 -0.56317 0.00713 -0.01283 -0.04367 -0.05665 -0.11041 -0.21342 -0.18722 -0.25816 0.01353 0.05571 0.06553 -0.17951 0.13532 -0.20938 -0.06478 -0.12283 0.02223 -0.00325 0.00402 0.00857 0.00207 -0.00001 -0.00008 0.00005 0.00004 0.00207 0.01108 0.02008 0.05428 -0.04407 0.16170 -0.16902 -0.20354 -0.16803 0.31438 -0.22309 0.01507 0.03448 0.02462 -0.01387 -0.02902 -0.04086 -0.03718 0.04871 -0.31178 -0.27100 0.30426 0.05976 0.39439 -0.68101 0.24967 0.08349 -0.01432 -0.29153 -0.12027 0.01347 0.02522 -0.02250 0.08323 0.02786 -0.04634 -0.13753 0.06799 -0.05264 0.09312 0.16553 0.33727 0.28665 0.01531 -0.02669 -0.01713 -0.00109 0.00205 0.00399 0.00136 0.00008 -0.00036 0.00166 -0.00122 0.00443 -0.00109 -0.00702 0.00635 -0.01945 -0.03474 -0.03718 -0.03165 0.11423 0.00312 -0.04799 -0.03939 -0.02717 -0.02106 -0.29716 0.23867 -0.84901 0.37314 -0.71249 -0.81068 1.31611 0.02825 0.69716 0.19595 0.50208 1.52333 0.33262 -0.36465 0.54101 -0.19462 0.22402 0.75921 -0.68790 -0.18538 0.36750 0.17436 -0.25549 -0.16624 0.03437 -0.42428 -0.40698 1.08074 -0.46536 0.98391 -0.34334 -0.02935 -0.02845 0.08321 0.00517 -0.00082 -0.00012 0.00042 0.00241 -0.00080 -0.00069 -0.00995 -0.00352 0.01565 0.00769 0.01841 0.07108 -0.00302 0.01059 0.07110 0.10077 -0.05712 0.06049 -0.00206 -0.27981 0.30880 -0.90405 0.05349 0.77690 0.94963 0.23325 1.40384 -0.59282 -0.73918 -0.78793 -0.58979 0.47800 0.22840 1.02776 0.21019 -0.24300 -0.18960 0.01898 0.09020 -0.72292 0.01875 -0.03792 0.24450 -0.18500 -0.27993 0.46972 -0.44029 0.76218 0.99086 -0.42128 0.11583 -0.06735 0.08664 -0.00796 0.00359 0.00022 -0.00017 0.00099 -0.00028 -0.00524 0.00435 -0.00709 0.00436 0.00826 0.04695 -0.05176 -0.04894 -0.03870 0.09687 -0.07128 0.03795 0.00117 0.26456 -0.03610 0.18418 -0.47228 -0.21891 0.68559 -0.84018 -1.10726 0.18845 1.70971 -0.38474 1.08456 -0.78182 -1.09735 -0.37827 0.56589 -0.40683 0.66692 -0.73754 0.30209 0.51157 0.19939 -0.35087 -0.05523 0.15762 0.08992 -0.06660 -0.43515 -1.01184 -0.89560 0.22304 -0.36552 0.08927 -0.03005 0.03411 0.00538 -0.01576 -0.00002 -0.00021 -0.00037 -0.00028 0.01087 0.05112 0.05365 0.11628 -0.04403 0.14531 -0.11602 -0.02055 0.01330 -0.12559 0.13245 0.01115 -0.11428 0.04825 -0.00320 -0.00595 -0.03164 -0.00491 0.03449 0.10105 0.00578 -0.08907 0.01431 -0.04802 -0.03210 0.10638 -0.08669 0.00063 -0.05405 -0.07876 0.03828 0.04518 -0.15014 0.16243 -0.21171 -0.17276 0.29681 0.03971 0.02739 0.64371 -0.81107 -0.11991 0.62707 0.47158 -0.60532 -0.03601 0.02263 -0.00007 0.01631 0.00288 0.00008 -0.00073 0.00378 0.00066 -0.00048 -0.00405 0.00060 0.02121 -0.02355 0.08878 -0.06447 -0.01104 0.02240 -0.09441 0.10427 0.02341 -0.21390 0.20390 -0.20037 -0.15695 -0.58343 -0.58154 0.73806 0.78027 -0.43625 -1.49698 1.14373 -0.02354 -0.29157 0.96627 -1.22899 -0.22306 -0.62423 -0.74109 0.59007 0.02894 -0.12512 0.39969 0.61999 -0.39738 -1.51186 0.23932 -0.63766 -1.15475 1.76873 0.51938 -1.36350 -0.55122 0.02958 0.02206 -0.15309 0.07838 0.02461 -0.00774 -0.00008 -0.00021 -0.00038 -0.00031 0.00932 0.05786 0.05435 0.13172 0.09045 0.04221 0.14835 0.02413 -0.00046 -0.08311 -0.19515 -0.03552 0.02684 -0.07687 -0.01131 0.04281 0.00934 -0.00757 0.09390 -0.08625 -0.00714 -0.06201 -0.02566 -0.04235 0.03348 0.03652 0.11532 0.11180 -0.02768 -0.01966 0.00125 -0.04927 -0.14515 0.03903 -0.17527 -0.25796 0.32193 0.11659 0.25650 0.52757 0.82856 0.12278 -0.65813 0.45914 -0.58781 0.15386 0.02288 0.00194 0.01226 0.00810 0.00015 0.00001 0.00385 0.00093 -0.00068 -0.01292 0.01139 0.04605 0.03973 0.03257 0.11284 0.06107 -0.00252 -0.04869 -0.18641 -0.10140 0.00695 -0.19710 -0.25645 0.21478 -0.27868 -0.61431 1.38218 -0.47416 -0.20405 -0.49885 -1.59033 -0.13220 0.22153 -0.00576 1.25795 1.26708 -0.52311 0.18029 -0.44279 0.15063 -0.15607 -0.43456 -1.36728 -0.01050 -1.26709 0.02918 -0.97537 -1.24102 -1.76448 0.00594 1.33704 -0.49039 0.16711 -0.51642 -0.16322 0.06854 0.02189 -0.02657 0.00002 0.00003 -0.00029 -0.00042 0.00246 0.02183 0.09141 -0.10257 0.03813 -0.06415 0.09615 0.10434 0.07615 -0.15709 0.16111 -0.01155 -0.01770 0.00224 0.03598 -0.01995 -0.02469 -0.03662 0.00477 -0.12846 -0.05187 0.07064 0.06049 -0.04646 0.07861 -0.05272 0.04004 0.00737 0.04891 -0.00939 0.01870 0.10431 -0.17646 0.11081 -0.00764 -0.07611 -0.27063 0.14474 -0.01614 0.55320 0.57657 0.68676 0.80594 -0.50327 0.28442 -0.10909 0.02374 0.00807 -0.00025 -0.00163 0.00015 -0.00024 0.00045 0.00392 -0.00327 0.00313 0.00685 -0.03018 0.02871 -0.02644 0.04936 0.07017 0.05324 -0.12839 0.12683 0.00045 -0.07587 0.10238 -0.02897 -0.23345 -0.23755 -1.00257 0.27061 -1.36083 -0.65062 0.79580 1.42970 0.21299 0.13665 -0.45758 -0.26601 -0.32613 0.64940 -0.23190 0.45986 -0.15603 -0.07480 0.26438 0.04111 -0.92720 1.15552 0.23533 0.07379 -0.94383 -1.14652 -1.33303 -1.24107 -0.00254 -0.32802 0.02324 -0.11446 -0.12717 0.00781 -0.01378 -0.00002 -0.00003 -0.00030 -0.00045 0.00297 0.02128 0.09231 -0.10439 -0.01898 -0.01178 -0.16009 0.03428 0.06216 -0.06480 -0.21597 0.01513 0.00329 -0.00856 0.03488 -0.02788 -0.03058 -0.02877 -0.00177 0.13622 -0.00053 0.10447 -0.00640 -0.05853 -0.05866 -0.01890 -0.04030 -0.03075 0.04707 0.02455 0.02802 0.05353 -0.17504 -0.10101 -0.20113 -0.22416 -0.22651 -0.03412 0.21585 0.40416 -0.70403 0.50590 -0.79525 -0.67089 0.17385 0.02769 0.02450 0.00933 0.00048 0.00136 0.00000 0.00032 0.00063 0.00407 0.00164 -0.00875 0.01327 -0.02734 -0.00871 0.00389 -0.08966 0.05022 0.03763 -0.05594 -0.17091 -0.04439 0.01090 -0.14129 -0.10263 -0.35472 -0.19449 -0.85667 0.40311 1.54754 0.14335 1.51390 -0.46189 0.15225 -0.14901 -0.53178 0.12131 -0.00309 0.68213 0.18026 -0.06024 -0.02580 -0.04916 0.09625 -0.33974 -0.68642 1.18875 0.47572 -0.25985 -0.76703 1.43337 -0.94784 1.56102 0.33223 -0.05674 -0.09872 -0.12458 -0.12800 -0.00443 -0.00463 -0.00002 -0.00004 -0.00028 -0.00042 0.00149 0.01977 0.09763 -0.09899 0.04703 0.07805 0.01889 -0.01922 -0.25951 0.07146 0.02255 0.01890 -0.00775 0.00346 -0.06026 0.02266 0.03392 0.00036 0.01990 -0.02288 0.15138 -0.00725 0.03684 0.00171 -0.00195 0.12887 0.04177 0.03117 0.05109 -0.05384 0.02067 0.07592 -0.15635 -0.00879 -0.13947 -0.14236 -0.20039 -0.15136 0.01998 0.44167 0.22255 -1.19717 0.01854 -0.66620 0.09504 0.01368 0.02243 0.00829 0.00322 0.00130 0.00016 0.00028 0.00031 0.00347 0.00012 -0.00749 0.01563 -0.03217 0.02153 0.03307 0.01159 -0.01882 -0.21198 0.04742 0.01045 -0.01114 -0.07059 -0.12705 -0.40742 -0.14369 -0.02170 -0.54963 -0.55124 -0.40455 2.19443 -0.01180 0.22462 0.05352 -0.02171 0.72392 0.14026 0.25907 0.48754 0.12883 0.16621 0.93285 -0.77398 -0.08689 0.28037 -0.41783 0.89810 0.29276 -0.06963 -1.11978 -0.37202 2.25163 0.04435 0.51906 0.31340 -0.21596 -0.09857 -0.11431 -0.02622 -0.01213 -0.00015 0.00015 -0.00004 -0.00004 0.04900 0.10479 -0.10508 -0.09129 0.17685 0.09685 -0.06202 0.00049 0.09368 0.04476 0.03863 -0.09961 0.08357 0.02242 -0.07280 0.07461 0.06566 -0.06853 -0.06834 0.01186 -0.02685 -0.03057 -0.00964 -0.06538 -0.00106 0.07582 0.02905 0.00313 0.00358 -0.17394 -0.04879 -0.16818 0.01149 0.21599 -0.19528 -0.13021 -0.14325 0.42051 1.08301 -0.19890 -0.07113 -0.14086 0.19670 0.25099 0.60886 0.47641 0.00391 -0.00055 -0.01750 0.01521 0.00003 0.00220 0.00101 0.00178 -0.00663 0.00327 -0.03802 -0.04517 0.12177 0.08046 -0.04319 -0.00316 0.08969 0.02849 0.03023 -0.13921 0.05860 0.13809 -0.98100 0.84501 0.40585 -0.77899 -0.95238 0.13982 -0.63112 0.02883 -0.20459 -0.47807 0.05885 -0.08236 0.11656 -0.13018 -0.44850 -0.20164 -0.17069 -1.05564 0.83897 -0.53513 -0.61143 -0.93752 0.48246 -0.38851 -1.76644 0.66245 0.13317 0.04215 0.02249 -0.54159 0.20484 -0.06955 -0.07600 -0.03845 -0.09963 0.00069 0.00016 -0.00005 -0.00009 -0.00001 0.11859 -0.10913 0.05615 0.06280 0.15468 -0.09579 -0.09909 -0.11619 -0.02742 -0.05614 0.05203 0.00136 0.10001 -0.06933 -0.10304 -0.11703 -0.03389 0.05522 0.00863 -0.02044 -0.05685 -0.04480 -0.01284 -0.03044 -0.02841 -0.08255 -0.04358 0.00775 0.03318 -0.04207 -0.08510 -0.19899 -0.24963 -0.09160 0.25015 -0.62359 -0.12679 -1.03751 0.37387 -0.13745 0.06001 0.08015 0.13665 0.23704 0.07787 -0.52764 0.00364 -0.00268 0.00548 -0.02005 0.00113 0.00035 0.00053 -0.00007 0.00735 -0.02904 0.02162 0.02876 0.10052 -0.05970 -0.07893 -0.07412 -0.01626 -0.04119 0.04067 -0.00405 0.04824 -0.47923 -0.88389 -1.04639 -0.21392 0.39768 -0.14654 -0.13676 -0.23724 -0.11432 -0.12068 -0.10036 -0.00264 -0.13984 -0.17109 -0.13206 -0.02163 0.01623 -0.35906 0.27668 0.21852 -0.79191 0.48715 0.03385 -0.18515 1.54674 -0.13204 0.58030 -0.12926 -0.32553 -0.16303 0.22045 0.04897 -0.01084 -0.01473 0.01662 -0.02493 -0.06144 1 O 1S 2S 3S 4S 5PX 5PY 5PZ 6PX 6PY 6PZ 2 N 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 H 1S 2S 6 H 1S 2S 7 H 1S 2S 8 H 1S 2S 9 H 1S 2S 10 H 1S 2S 11 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 1 O 1S|2S|3S|4S|5PX|5PY|5PZ|6PX|6PY|6PZ|2 N 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 H 1S|2S|6 H 1S|2S|7 H 1S|2S|8 H 1S|2S|9 H 1S|2S|10 H 1S|2S|11 H 1S|2S 1.13255 0.85928 0.96290 0.93876 1.24529 1.00829 1.11192 0.49889 0.30568 0.39582 1.15987 0.83042 0.88502 0.82242 0.87893 0.79924 1.19152 0.11320 0.11923 0.47112 1.17438 0.81429 0.74067 0.59568 0.79694 0.91676 0.90389 0.04829 0.15333 0.17502 1.17425 0.81439 0.72783 0.66668 0.89861 0.89378 0.91677 0.19249 0.16936 0.21054 0.51127 0.27940 0.51174 0.28621 0.50895 0.26872 0.50910 0.26078 0.50955 0.28328 0.50750 0.21041 0.48684 0.15196 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 O N C C H H H H H H H -0.459395 -0.270963 -0.319253 -0.664703 0.209336 0.202055 0.222327 0.230125 0.207170 0.282092 0.361208 0.00000 -2.40578203e-01 2.12749348e-01 -9.10943561e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.6115 0.5408 -0.2315 0.8485 -25.4141 -22.5151 -26.8656 -0.0834 -2.1619 2.8856 -0.4825 2.4165 -1.9340 -0.0834 -2.1619 2.8856 5.2417 1.5431 0.9909 6.8897 0.6453 -4.1524 1.5318 -1.8418 -1.5283 3.9803 -261.5588 -89.9887 -52.2227 -5.0630 -10.2503 -5.9313 -2.1222 2.1545 -0.8257 -52.8655 -51.5323 -26.6254 3.9578 -2.6001 -3.2983 0 -210.0601444 3.453E-9 1.121E-4 -0.3587298,1.7966106,-1.4378808,-0.0620303,-1.6073132,2.1453968 C01 [X(C2H7N1O1)] -0.2405782 0.2127493 -0.0910944 @ -0.000028224 -0.000387351 -0.000097162 0.000082350 0.000298882 -0.000061691 -0.000130291 -0.000007098 0.000077175 0.000182420 0.000130717 -0.000001048 0.000062510 0.000040799 -0.000039061 0.000014938 -0.000092151 0.000023737 -0.000015160 -0.000019317 0.000005712 -0.000046940 -0.000046189 -0.000027469 -0.000049387 -0.000015406 0.000010392 -0.000111890 0.000112445 -0.000052605 0.000039672 -0.000015334 0.000162021 54.0275 AuxInfo=1/0/N:4,3,2,1/rA:11ONCCHHHHHHH/rB:s1;s2;s3;s3;s3;s4;s4;s4;s2;s1;/rC:;;;;;;;;;;; Gaussian 09 GINC-KIMIK2105 CBGUSER 000164700 EM64L-G09RevD.01 4-Sep-2017 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 27 C1[X(C2H7NO)] RPBEPBE SDD Freq #pfreq=noraman PBEPBE/SDD 54.0275 0 1 AuxInfo=1/0/N:4,3,2,1/rA:11ONCCHHHHHHH/rB:s1;s2;s3;s3;s3;s4;s4;s4;s2;s1;/rC:;;;;;;;;;;; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-21063.inp" -scrdir="/scratch/" chk=000164700-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 000164700 1 2 3 4 5 6 7 8 9 10 11 16 14 12 12 1 1 1 1 1 1 1 15.9949146 14.0030740 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 2 0 0 1 1 1 1 1 1 1 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 (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| 0.000383 0.000112 0.008652 0.003490 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.370106e-06 SDD (6D, 10F) 0.10000e-02 0.10000e-05 F 130.7228796389 54 124 54 17 17 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 11 11 11 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 54.0275 AuxInfo=1/0/N:4,3,2,1/rA:11ONCCHHHHHHH/rB:s1;s2;s3;s3;s3;s4;s4;s4;s2;s1;/rC:;;;;;;;;;;; 0.000000 1.510703 0.000000 2.421067 1.492620 0.000000 3.033041 2.499878 1.535447 0.000000 2.607082 2.166939 1.112477 2.183378 0.000000 3.352057 2.081058 1.109401 2.185630 1.796586 0.000000 3.452948 2.730261 2.182979 1.104462 3.103585 2.536928 0.000000 2.738414 2.794674 2.178960 1.103912 2.523044 3.101014 1.794232 0.000000 4.013992 3.457685 2.184620 1.104905 2.526548 2.530066 1.794521 1.788569 0.000000 2.002513 1.037804 2.079865 3.395303 2.460108 2.343802 3.672256 3.743254 4.237548 0.000000 0.992294 1.973498 3.006589 3.258000 3.416488 3.902927 3.413153 2.851508 4.321598 2.616979 0.000000 C2H7NO C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 54.0275 AuxInfo=1/0/N:4,3,2,1/rA:11ONCCHHHHHHH/rB:s1;s2;s3;s3;s3;s4;s4;s4;s2;s1;/rC:;;;;;;;;;;; 14.4214242 5.1125593 4.3021947 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= 3675 LenC2= 738 LenP2D= 2968. LDataN: DoStor=T MaxTD1= 2 Len= 12 NBasis= 54 RedAO= T EigKep= 7.71D-03 NBF= 54 NBsUse= 54 1.00D-06 EigRej= -1.00D+00 NBFU= 54 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= 54 54 54 54 54 MxSgAt= 11 MxSgA2= 11. 1 Closed 1 0 1 -209.956629724072 -209.981923760708 -0.025294036636 -210.051321950097 -0.069398189389 -210.055122775156 -0.003800825059 -210.060080655860 -0.004957880704 -210.060105974596 -0.000025318737 -210.060110231843 -0.000004257247 -210.060150545468 -0.000040313625 -210.060150559426 -0.000000013958 -210.060150585231 -0.000000025805 -210.060150587139 -0.000000001908 -210.060150589336 -0.000000002197 -210.060150589346 -0.000000000010 -210.060150589349 -0.000000000003 -210.060150589 14 2.090619325958e+02 -7.531889460874e+02 2.033439832633e+02 Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep J ints in memory in canonical form, NReq=2005179. IVT= 28168 IEndB= 28168 NGot= 2818572288 MDV= 2817440766 LenX= 2817440766 LenY= 2817437409 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= 1485 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= 11. Will process 12 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111 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= 2818572120 using IRadAn= 2. Generate precomputed XC quadrature information. Keep J ints in memory in canonical form, NReq=1978600. 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= 1485 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 36 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 33 vectors produced by pass 0 Test12= 1.75D-15 2.78D-09 XBig12= 3.17D+01 1.88D+00. AX will form 33 AO Fock derivatives at one time. 33 vectors produced by pass 1 Test12= 1.75D-15 2.78D-09 XBig12= 2.13D+00 3.77D-01. 33 vectors produced by pass 2 Test12= 1.75D-15 2.78D-09 XBig12= 4.64D-03 1.30D-02. 33 vectors produced by pass 3 Test12= 1.75D-15 2.78D-09 XBig12= 4.29D-07 1.10D-04. 12 vectors produced by pass 4 Test12= 1.75D-15 2.78D-09 XBig12= 1.49D-11 8.53D-07. 1 vectors produced by pass 5 Test12= 1.75D-15 2.78D-09 XBig12= 1.99D-16 3.41D-09. InvSVY: IOpt=1 It= 1 EMax= 2.66D-15 Solved reduced A of dimension 145 with 36 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 34.66 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 37.803 -2.244 36.464 -0.593 0.640 29.715 53.328 -7.668 56.929 0.549 -1.552 46.614 (Enter /mnt/data/applications/G09/g09/l716.exe) PT63.300S Mon Sep 4 14:59:28 2017 -18.77598 -14.02956 -9.92181 -9.88045 -0.94547 -0.76527 -0.65494 -0.53846 -0.44994 -0.43165 -0.38422 -0.35648 -0.32906 -0.31615 -0.30269 -0.22721 -0.18861 0.01448 0.06412 0.09325 0.11657 0.11965 0.15018 0.17655 0.18533 0.20087 0.20470 0.27799 0.28396 0.30152 0.32505 0.36780 0.44016 0.48789 0.53359 0.63526 0.65620 0.71855 0.76563 0.87465 0.89126 0.90386 0.92935 0.98598 1.07336 1.08812 1.11313 1.23797 1.39844 1.56512 22.51120 22.63398 31.43311 41.43456 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 O N C C H H H H H H H -0.459391 -0.270943 -0.319284 -0.664701 0.209343 0.202050 0.222331 0.230126 0.207169 0.282089 0.361211 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 O N C C -0.098180 0.011146 0.092109 -0.005075 0.00000 -2.38727621e-01 1.98076823e-01 -1.23421510e-01 3.78026543e+01 -2.24424779e+00 3.64638524e+01 -5.92930730e-01 6.40482411e-01 2.97153913e+01 -16.0325 -7.5665 -0.0005 0.0003 0.0004 22.2450 140.3074 217.0040 328.1949 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 140.2888 216.9951 328.1918 353.7155 476.6876 732.1101 811.8729 892.5514 949.6718 1061.1907 1109.8558 1144.4217 1252.1087 1273.6237 1358.4096 1382.1934 1430.7620 1451.5324 1464.6394 1489.3260 2938.8080 2990.3030 3014.6626 3089.8675 3096.4797 3343.0594 3553.6020 2.2375 1.2583 1.4065 1.6455 2.4099 2.9986 1.2611 2.8033 1.6154 1.8252 1.6748 1.7787 1.2505 1.1453 1.2933 1.2158 1.1431 1.1076 1.0459 1.0496 1.0630 1.0355 1.0964 1.0993 1.1009 1.0756 1.0682 0.0259 0.0349 0.0893 0.1213 0.3226 0.9469 0.4898 1.3158 0.8584 1.2110 1.2154 1.3726 1.1551 1.0946 1.4061 1.3685 1.3787 1.3750 1.3219 1.3717 5.4093 5.4553 5.8707 6.1839 6.2193 7.0828 7.9475 0.0553 4.6997 33.8578 106.2162 26.2906 34.2516 11.4884 16.8640 69.9521 5.8215 20.3687 3.1147 49.6867 4.7444 1.2883 21.0918 4.5762 3.1262 13.7309 8.5648 65.0136 24.6454 26.3532 36.8409 38.3628 6.1327 13.1564 8 7 6 6 1 1 1 1 1 1 1 0.13 0.10 0.08 -0.03 -0.11 -0.07 0.03 -0.09 0.04 -0.15 0.08 -0.06 0.16 -0.27 0.04 0.09 0.01 0.25 -0.42 0.38 -0.05 -0.13 -0.06 -0.43 -0.03 0.02 0.22 -0.09 -0.01 -0.28 0.19 -0.01 0.19 0.09 0.03 -0.03 -0.01 -0.02 0.01 0.00 -0.04 0.04 -0.07 0.02 -0.01 -0.01 -0.07 0.04 0.02 -0.02 0.06 0.38 -0.24 -0.04 -0.43 0.02 0.42 -0.24 0.35 -0.47 -0.04 0.01 -0.02 -0.03 -0.02 -0.01 0.05 -0.04 -0.02 0.05 0.02 0.07 -0.03 -0.01 -0.09 -0.10 0.00 0.04 -0.16 0.13 -0.08 0.02 -0.04 -0.24 -0.26 -0.07 0.06 -0.11 0.00 0.05 -0.03 0.10 0.17 -0.02 0.03 0.23 0.68 0.39 -0.25 0.14 0.00 -0.05 0.03 0.01 0.10 -0.07 0.03 -0.06 -0.06 -0.01 0.00 -0.25 0.19 -0.05 -0.02 -0.03 -0.27 -0.25 0.01 0.02 0.02 -0.01 -0.09 0.01 -0.07 0.17 0.03 -0.02 0.15 -0.71 -0.37 0.09 -0.10 0.04 0.03 0.15 0.16 -0.06 0.11 -0.14 -0.08 -0.09 -0.06 0.03 0.24 -0.36 -0.08 -0.02 -0.10 0.18 -0.32 -0.17 0.06 -0.32 -0.14 0.10 0.02 0.28 0.18 0.07 0.11 0.31 -0.35 -0.14 0.13 -0.14 0.16 -0.10 0.00 -0.13 0.21 0.15 -0.09 -0.02 0.05 0.00 -0.01 -0.16 0.26 0.01 0.16 -0.23 -0.40 -0.05 0.17 -0.01 -0.25 -0.18 -0.13 0.11 0.28 0.06 -0.01 0.04 -0.51 -0.06 0.11 -0.03 0.01 -0.03 0.03 -0.01 0.06 -0.08 0.01 -0.03 0.07 0.01 -0.03 0.04 0.02 0.46 0.03 -0.21 -0.28 -0.36 0.14 0.45 -0.01 -0.29 -0.28 -0.28 -0.06 0.10 -0.14 -0.01 0.02 0.15 0.00 -0.03 0.02 -0.07 0.08 -0.06 0.23 -0.06 -0.02 -0.04 0.12 0.11 -0.19 -0.12 0.02 0.11 0.18 0.08 0.09 0.14 0.02 0.19 0.04 -0.04 0.09 -0.06 -0.14 -0.37 -0.62 -0.26 0.25 -0.03 -0.15 0.10 -0.06 0.10 0.04 -0.09 0.05 -0.03 0.10 0.03 0.06 0.09 0.02 -0.04 -0.10 -0.05 -0.03 0.03 0.04 -0.13 0.03 0.10 -0.17 -0.13 -0.03 -0.17 -0.14 -0.01 0.01 0.08 0.04 0.25 0.13 -0.82 -0.09 0.15 -0.19 0.01 -0.02 0.03 -0.12 0.06 0.03 0.18 -0.04 -0.06 -0.11 0.00 0.03 0.28 0.16 -0.08 0.48 0.07 -0.16 0.24 -0.01 -0.02 0.26 0.12 -0.07 -0.23 -0.47 -0.15 -0.22 0.10 0.11 -0.15 0.11 -0.12 0.01 -0.02 0.02 0.06 0.00 0.05 -0.09 -0.06 -0.14 0.02 0.07 0.12 0.21 -0.26 -0.17 -0.36 -0.08 0.19 0.34 0.40 0.06 0.08 0.00 -0.16 -0.13 -0.10 -0.18 -0.05 0.17 -0.35 -0.17 0.19 -0.20 0.01 0.02 -0.01 -0.07 -0.07 0.05 0.03 0.17 -0.09 0.03 -0.13 0.03 0.47 -0.06 -0.12 -0.02 0.28 0.29 -0.07 0.19 0.01 -0.33 -0.36 -0.18 0.00 0.18 -0.11 -0.03 -0.18 0.38 0.01 0.04 -0.02 0.00 -0.01 -0.04 -0.06 0.07 0.04 0.03 -0.01 -0.06 -0.02 0.00 0.05 -0.24 -0.18 -0.02 -0.01 0.01 0.05 0.15 0.14 0.02 0.04 -0.03 -0.10 -0.07 -0.03 -0.06 0.30 -0.15 -0.11 0.44 -0.53 0.48 0.00 -0.01 0.02 0.02 0.01 -0.04 -0.05 -0.01 -0.01 0.04 -0.04 0.06 -0.47 -0.19 0.05 0.66 0.33 -0.01 0.04 0.22 0.04 -0.12 -0.17 -0.09 0.00 0.09 -0.06 -0.12 0.14 -0.07 -0.09 0.08 -0.08 0.00 0.03 0.02 -0.02 -0.04 -0.04 0.12 0.05 -0.01 -0.02 0.02 0.04 -0.61 -0.30 0.09 -0.34 -0.15 0.04 0.03 -0.08 0.03 -0.04 -0.06 -0.13 -0.10 -0.18 -0.10 0.18 -0.24 0.21 -0.17 0.26 -0.21 0.00 -0.01 -0.01 0.01 0.01 0.01 -0.01 -0.01 0.00 0.09 0.10 0.03 0.05 0.06 -0.01 0.02 0.02 0.03 -0.36 -0.41 0.09 -0.44 -0.24 -0.18 -0.13 -0.48 -0.26 -0.16 0.14 -0.07 0.08 -0.11 0.09 0.00 -0.03 -0.01 0.03 -0.03 0.00 0.07 0.04 -0.01 -0.03 -0.03 -0.01 -0.28 0.15 0.04 -0.26 0.01 0.30 0.08 0.03 -0.03 0.07 0.02 0.00 0.02 0.09 0.06 -0.66 0.46 0.01 0.09 -0.18 0.14 0.00 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.08 -0.04 0.00 0.02 -0.01 -0.18 0.62 -0.04 0.03 0.20 0.60 0.15 -0.10 -0.01 -0.07 -0.04 -0.07 0.06 -0.03 0.13 0.24 -0.18 0.03 -0.05 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.03 0.00 -0.02 0.03 -0.03 0.04 -0.17 -0.01 0.02 0.00 -0.13 0.53 -0.07 -0.07 -0.41 -0.15 0.03 0.23 -0.27 0.58 -0.04 0.03 0.00 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 -0.02 0.03 -0.02 -0.04 -0.08 0.04 -0.01 -0.04 0.00 0.09 -0.23 0.53 -0.02 -0.24 0.13 0.64 -0.03 -0.39 -0.01 0.03 -0.02 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.06 0.00 0.00 0.01 0.11 0.03 0.90 -0.17 0.33 -0.15 0.00 0.00 -0.03 -0.01 0.02 -0.01 0.06 -0.01 -0.03 -0.01 -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.03 -0.04 -0.01 -0.01 0.00 -0.05 -0.02 0.04 -0.01 0.06 0.02 0.60 -0.23 0.46 -0.18 0.52 -0.07 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.06 0.05 0.00 0.01 -0.01 -0.04 -0.03 -0.37 -0.37 0.78 -0.28 0.00 0.00 0.05 0.07 -0.14 0.05 -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.03 0.06 -0.01 0.00 -0.05 0.01 -0.03 0.01 -0.07 -0.02 -0.50 0.11 -0.26 0.12 0.72 -0.09 -0.33 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.04 -0.05 0.07 -0.01 -0.01 -0.08 -0.05 0.12 -0.04 -0.06 -0.04 -0.61 -0.30 0.66 -0.24 -0.08 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.06 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.57 -0.80 -0.20 0.00 0.02 0.02 0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.00 -0.16 0.63 0.75 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 8 7 6 6 1 1 1 1 1 1 1 15.99491 14.00307 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 61.05276 125.14306 353.00152 419.49315 0.9997 0.02296 -0.00905 -0.02225 0.99718 0.07172 0.01067 -0.0715 0.99738 asymmetric 1 0.69212 0.24536 0.20647 14.42142 5.11256 4.30219 247309.6 201.84 312.21 472.19 508.92 685.85 1053.34 1168.10 1284.18 1366.36 1526.81 1596.83 1646.57 1801.50 1832.46 1954.45 1988.67 2058.54 2088.43 2107.29 2142.81 4228.28 4302.37 4337.42 4445.62 4455.14 4809.91 5112.83 0.094195 0.099624 0.100568 0.066514 -209.965955 -209.960527 -209.959583 -209.993636 62.515 18.272 71.672 0.000 0.000 0.000 0.889 2.981 38.247 0.889 2.981 24.431 60.737 12.310 8.994 1 0.615 1.913 2.800 2 0.646 1.815 1.984 3 0.711 1.619 1.269 4 0.730 1.568 1.150 5 0.833 1.302 0.719 0.254418e-30 -30.594453 -70.446331 0.539829e+13 12.732256 29.317104 0.278441e-42 -42.555267 -97.987123 1 0.144930e+01 0.161157 0.371078 2 0.912700e+00 -0.039672 -0.091348 3 0.569952e+00 -0.244162 -0.562203 4 0.520342e+00 -0.283711 -0.653268 5 0.351847e+00 -0.453646 -1.044560 0.590803e+01 0.771443 1.776312 1 0.203312e+01 0.308163 0.709572 2 0.154068e+01 0.187713 0.432226 3 0.125819e+01 0.099745 0.229671 4 0.122163e+01 0.086941 0.200190 5 0.111139e+01 0.045866 0.105610 0.100000e+01 0.000000 0.000000 0.187505e+08 7.273013 16.746732 0.487305e+05 4.687801 10.794060 000164700 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.6068 0.5035 -0.3137 0.8486 -25.3563 -21.7670 -27.6399 -0.4228 -2.0909 2.1430 -0.4352 3.1540 -2.7188 -0.4228 -2.0909 2.1430 6.0949 -0.4095 2.0686 8.1238 -0.4164 -3.9704 0.6752 -1.5303 -1.8720 3.0216 -261.3804 -90.6760 -52.7800 -6.2463 -10.4764 -6.4702 -0.6303 2.1136 2.9741 -51.8155 -52.9528 -25.9922 3.8473 -2.6892 -2.0437 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -210.0601506 6.653E-9 1.125E-4 0.0941952 0.0996239 C01 [X(C2H7N1O1)] -0.2406174 0.2127327 -0.0911387 -0.686773 0.1018656 0.0440942 0.1128094 -0.50734 0.05951 -0.0555878 0.1809416 -0.0816869 -0.0345649 -0.2072703 0.0852319 -0.1484225 0.097996 0.0690986 0.1726364 0.0476742 -0.3339755 0.3644758 0.0540626 -0.0598274 0.0982146 0.1830424 -0.03101 0.0096046 -0.0374685 0.2937872 -0.0455406 -0.0755115 -0.0240635 -0.0879578 -0.0422615 -0.0310562 -0.0211112 -0.0522047 0.0357591 -0.0215383 -0.0215291 -0.0191149 -0.0501773 0.0706456 0.0239691 0.0482492 -0.02215 -0.2492757 -0.0088847 0.0680836 -0.0016384 0.057826 -0.1564916 0.0217096 0.0057313 0.0536854 0.0853509 0.1001187 -0.0085448 -0.019564 -0.0077279 0.0754362 0.0233639 -0.0684537 -0.0024814 -0.1619137 0.0797077 0.1097983 -0.0260899 0.0472657 -0.1114948 0.0272761 -0.0319348 0.0351301 0.0841901 -0.1401847 -0.0125834 0.0982029 0.0045095 0.0962263 -0.0193408 0.1176409 -0.0123982 0.0491374 0.0307393 -0.0353402 -0.0556744 -0.0618747 0.0270027 -0.0636772 -0.1434701 -0.1318005 0.2095076 0.3624445 0.0269694 -0.0215565 0.0355351 0.2672385 -0.079843 -0.033305 -0.0589279 0.0691197 37.7993515|-2.1119422|36.1259638|-0.9997006|1.5907153|30.0565828 0.10355749 -0.11941446 0.29658219 -0.03231545 0.16380467 0.39173764 -0.06918103 0.04372571 -0.01311313 0.43232459 0.04628272 -0.13614610 0.02657551 0.11584492 0.46834807 -0.01128223 0.01412863 -0.05616337 -0.00205115 0.06664669 0.20922996 -0.01858789 0.01257708 0.01068157 -0.15045394 -0.02068664 0.02072363 0.44196614 0.03390073 -0.01685501 -0.01511243 -0.01924393 -0.07675794 0.00654064 -0.02382579 0.55328787 -0.01829893 0.00780269 0.00346226 0.08328616 0.00488037 -0.08992446 0.03891840 -0.02843321 0.52401996 -0.00008845 -0.00098728 -0.00108861 -0.02879775 -0.02658947 -0.00327767 -0.10714165 -0.04733937 -0.02674343 0.52325270 -0.00114014 -0.00006474 0.00065978 -0.00347859 0.00025720 0.00065136 -0.05212157 -0.14572713 -0.03454023 -0.03837859 0.50376464 0.00023443 -0.00030192 0.00053926 0.01220321 0.01473631 0.00684809 -0.03041953 -0.03856299 -0.09538340 -0.02173898 -0.02361393 0.54664958 0.00369734 -0.00239433 -0.00198136 -0.01150489 -0.00332969 0.03968470 -0.04934994 0.00558701 -0.03699286 -0.00254124 0.00064460 -0.02000953 0.05931942 -0.00206369 0.00156034 -0.00212829 0.00213107 0.00159684 0.00088862 0.00332878 -0.05015721 0.02475911 -0.00574603 0.00025272 -0.02491711 0.00095958 0.05234778 -0.00049964 -0.00131312 0.00290645 0.00802996 0.00356146 -0.01977273 -0.03552914 0.02218074 -0.27332169 -0.00193444 0.00277183 -0.01009716 0.03177805 -0.02520913 0.30273992 -0.00536481 0.00198273 0.00486758 -0.01420032 0.02835788 -0.00537082 -0.08378189 0.08741130 -0.01710250 0.00696362 -0.02066976 0.00268538 -0.00081519 0.00355605 -0.00061267 0.10024609 -0.00100766 0.00327109 -0.00109727 0.00012513 -0.00425767 0.00195359 0.09161988 -0.24056385 0.04349231 0.00923026 -0.01991736 0.00512444 0.00113448 -0.00330836 -0.00152320 -0.09864680 0.26465273 0.00316284 -0.00138455 -0.00076090 0.00809839 -0.01319483 0.00049832 -0.02043118 0.04680040 -0.05558806 0.00344714 -0.01168036 0.00143079 -0.01290815 0.02704977 -0.00536079 0.01914327 -0.04601856 0.05767884 -0.00044065 -0.00002948 0.00020307 0.00178558 0.00122504 -0.00020280 -0.00390118 0.00051980 -0.02117417 -0.04738795 0.00423493 -0.02820028 -0.00163752 -0.00314708 -0.00085179 0.00043339 0.00031802 0.00061923 0.04935948 0.00034148 -0.00009556 0.00013468 0.00145304 0.00147400 0.00091805 -0.00462869 -0.00023207 -0.02790495 0.00406387 -0.04724794 0.02691301 -0.00346484 -0.00315036 -0.00114139 0.00074681 0.00081260 -0.00021184 -0.00161898 0.05136523 -0.00027690 -0.00000432 -0.00008297 0.00037548 0.00086540 0.00158529 0.00041562 0.00267135 -0.01251759 -0.03027861 0.02456829 -0.29787096 -0.00077797 -0.00189788 0.00101141 0.00020814 -0.00056481 0.00040947 0.03384196 -0.02531392 0.32507278 -0.00022821 0.00108577 -0.00014282 0.00108619 -0.00029858 0.00040573 0.00668038 -0.02132873 0.00276914 -0.08650514 0.09659637 -0.02110151 0.00071146 0.00073800 0.00061728 -0.00236438 -0.00307338 -0.00136393 -0.00156140 0.00224783 0.00103142 0.09378958 0.00119433 0.00266381 -0.00028600 0.00155247 -0.00097330 0.00009525 0.00995669 -0.02275810 0.00546139 0.09440784 -0.25009264 0.04758703 0.00005883 0.00073053 -0.00017145 -0.00317554 -0.00154731 -0.00189045 0.00096404 -0.00222679 -0.00226161 -0.10227693 0.27540735 -0.00023879 -0.00007347 -0.00004996 0.00030367 0.00064250 0.00003332 0.00434293 -0.01255621 0.00188230 -0.02158098 0.04897982 -0.05706324 0.00084484 -0.00008832 0.00028452 -0.00198508 -0.00189088 0.00008463 -0.01355798 0.02853191 -0.00577314 0.02444080 -0.05044132 0.05897050 -0.00010270 -0.00064205 0.00009709 -0.00122254 -0.00344717 -0.00186864 -0.01427818 0.00549636 0.01094527 -0.25241646 0.01106996 0.10154154 0.00010364 0.00032763 -0.00088793 0.00064938 -0.00037292 0.00045329 0.00317386 0.00029300 -0.00453966 -0.01117574 -0.00179207 0.00661670 0.27608085 0.00083592 0.00100354 -0.00031306 -0.00285899 -0.00501229 -0.00160158 -0.02156075 0.00098120 0.01205822 0.01262397 -0.04361861 -0.00715344 0.00051266 0.00078979 -0.00024872 0.00053916 0.00049823 0.00076213 -0.00275673 -0.00078342 0.00180172 0.02602183 -0.00125988 -0.01333592 -0.01108304 0.04781302 0.00011167 -0.00017813 0.00008893 -0.00126990 -0.00164968 -0.00064643 -0.01166196 0.00000922 0.00358518 0.10314201 -0.00619004 -0.09425557 0.00035585 0.00051260 0.00005667 0.00028362 0.00044545 0.00028263 0.02888289 -0.00214367 -0.01214976 -0.00685298 0.00159310 0.00193446 -0.11218415 0.00773332 0.10021948 0.00249644 0.03012181 0.00329661 -0.15311966 -0.15085318 -0.05244055 -0.01782491 -0.02788498 -0.01669732 -0.00578108 0.00260767 0.00510074 0.00165408 -0.00007612 0.00052210 -0.00015447 0.00081516 -0.00054104 0.00042978 0.00049489 0.00023590 0.00034972 0.00019209 0.00014727 -0.00126745 -0.00183351 -0.00059624 0.17379247 -0.00151538 -0.02856812 -0.01359181 -0.14364376 -0.22885067 -0.06836934 0.00344492 0.00221547 -0.00871130 -0.00088242 0.00163411 0.00034719 0.00114942 -0.00034440 0.00025486 -0.00070810 0.00001519 0.00015817 0.00017314 0.00007284 0.00016493 0.00041653 0.00020345 0.00001642 0.00015360 -0.00021109 -0.00012811 0.14154951 0.25946451 0.00198383 0.02327103 0.00005941 -0.08542337 -0.12466075 -0.06127077 0.02312011 0.01497823 -0.00508719 0.00016705 -0.00086063 -0.00109880 0.00070350 0.00092855 0.00078378 -0.00155139 0.00014287 0.00088199 0.00054277 0.00009294 0.00039760 0.00013959 0.00015158 -0.00013672 -0.00007732 0.00015366 0.00096073 0.06196566 0.08598407 0.06500367 -0.01575753 0.03397450 0.02949546 -0.00671622 0.01349418 0.01567980 -0.00332694 0.00670760 0.00109023 0.00044340 0.00063511 -0.00029548 0.00036285 -0.00000818 -0.00063176 -0.00161143 -0.00014217 0.00032015 -0.00025340 0.00007159 -0.00023538 -0.00078245 -0.00108173 0.00066662 0.00045534 -0.00044053 -0.00021082 -0.00057491 -0.00013746 -0.00157042 0.02776128 0.04258616 -0.12335145 -0.15864579 0.00439293 -0.01967814 -0.02185190 0.00189610 -0.00343324 0.00113559 -0.00040278 0.00075973 -0.00015858 -0.00085771 -0.00031768 0.00083811 0.00060628 0.00034471 -0.00038988 0.00011730 0.00001147 -0.00002915 -0.00012871 -0.00014714 0.00021548 -0.00000330 -0.00020050 -0.00000406 0.00486667 -0.00563129 -0.00018154 -0.05307291 0.15164353 0.05741917 -0.20575151 -0.34173674 -0.01043932 0.02159702 0.00958279 -0.00016045 0.00148425 -0.00112732 -0.00011348 -0.00074592 0.00030142 -0.00069707 0.00010209 0.00076963 -0.00056552 -0.00006393 0.00044310 -0.00010290 0.00012518 -0.00008214 0.00005728 0.00016249 -0.00016667 -0.00009619 0.00014369 -0.00007631 -0.00099313 0.00387492 -0.00049371 -0.04430839 0.17907173 0.33258595 0.00004854 0.00038337 0.00007959 -0.00009590 -0.00028314 0.00006018 0.00014149 -0.00004509 -0.00010187 -0.00016406 -0.00012951 -0.00001790 -0.00008733 -0.00002383 0.00006079 -0.00004141 0.00010538 -0.00000703 0.00002218 0.00002045 -0.00000821 0.00004101 0.00005743 0.00004420 0.00005629 0.00002640 -0.00001149 0.00012521 -0.00011037 0.00005326 -0.00004602 -0.00000109 -0.00015153 -0.000048538 -0.000383366 -0.000079594 0.000095901 0.000283140 -0.000060181 -0.000141489 0.000045085 0.000101865 0.000164055 0.000129513 0.000017897 0.000087333 0.000023825 -0.000060793 0.000041407 -0.000105381 0.000007029 -0.000022185 -0.000020451 0.000008213 -0.000041009 -0.000057426 -0.000044197 -0.000056290 -0.000026400 0.000011490 -0.000125205 0.000110368 -0.000053264 0.000046019 0.000001093 0.000151535 54.0275 AuxInfo=1/0/N:4,3,2,1/rA:11ONCCHHHHHHH/rB:s1;s2;s3;s3;s3;s4;s4;s4;s2;s1;/rC:;;;;;;;;;;;