Porphine, C20H14N4, BS Hudson, Syracuse University, New York, USA, J. Phys. Chem. A 109 (2005) 5724-5733 C (CM-1) COUNTS ERROR 1.250000E+02 1.775920E+00 6.922559E-02 1.275000E+02 1.969398E+00 7.095519E-02 1.300500E+02 1.936749E+00 6.988298E-02 1.326510E+02 2.149111E+00 7.420532E-02 1.353040E+02 2.329808E+00 7.547406E-02 1.380101E+02 2.423484E+00 7.676830E-02 1.407703E+02 2.337628E+00 7.386938E-02 1.435857E+02 2.464711E+00 7.639554E-02 1.464574E+02 2.634677E+00 7.699226E-02 1.493866E+02 2.718262E+00 7.876816E-02 1.523743E+02 2.818269E+00 7.932483E-02 1.554218E+02 2.732386E+00 7.680263E-02 1.585302E+02 2.685548E+00 7.466860E-02 1.617008E+02 2.514902E+00 7.258753E-02 1.649349E+02 2.607080E+00 7.200673E-02 1.682336E+02 2.493237E+00 7.126783E-02 1.715982E+02 2.497320E+00 7.060874E-02 1.750302E+02 2.313736E+00 6.663098E-02 1.785308E+02 2.186869E+00 1.005771E-01 1.800000E+02 2.005833E+00 8.645912E-02 1.818000E+02 2.035939E+00 8.603020E-02 1.836180E+02 1.860518E+00 8.245273E-02 1.854542E+02 1.919235E+00 8.504412E-02 1.873087E+02 2.003648E+00 8.740956E-02 1.891818E+02 1.998513E+00 8.594362E-02 1.910736E+02 1.926321E+00 8.389600E-02 1.929844E+02 1.974985E+00 8.315269E-02 1.949142E+02 1.910655E+00 8.144596E-02 1.968633E+02 2.014035E+00 8.479475E-02 1.988320E+02 2.120209E+00 8.586144E-02 2.008203E+02 2.286872E+00 8.964121E-02 2.028285E+02 2.433462E+00 9.157421E-02 2.048568E+02 2.498209E+00 9.118244E-02 2.069054E+02 2.510513E+00 9.225366E-02 2.089744E+02 2.322940E+00 8.910468E-02 2.110642E+02 2.226113E+00 8.720297E-02 2.131748E+02 2.360456E+00 8.820109E-02 2.153065E+02 2.593341E+00 9.225617E-02 2.174596E+02 2.588295E+00 9.217873E-02 2.196342E+02 2.752352E+00 9.531518E-02 2.218305E+02 2.850168E+00 9.690845E-02 2.240488E+02 2.746654E+00 9.429248E-02 2.262893E+02 2.700727E+00 9.401087E-02 2.285522E+02 2.692637E+00 9.249751E-02 2.308378E+02 2.342119E+00 8.572228E-02 2.331461E+02 2.323479E+00 8.429201E-02 2.354776E+02 2.286814E+00 8.458751E-02 2.378324E+02 2.151949E+00 8.196284E-02 2.402107E+02 2.226115E+00 8.270092E-02 2.426128E+02 2.171309E+00 8.129250E-02 2.450389E+02 2.066588E+00 7.861055E-02 2.474893E+02 1.914719E+00 7.577738E-02 2.499642E+02 2.070150E+00 7.868341E-02 2.524639E+02 1.903540E+00 7.572354E-02 2.549885E+02 1.948791E+00 7.541656E-02 2.575384E+02 1.887371E+00 7.636822E-02 2.600000E+02 1.909746E+00 1.063712E-01 2.613000E+02 1.842541E+00 1.047371E-01 2.626065E+02 1.659319E+00 9.648106E-02 2.639195E+02 1.788774E+00 1.006761E-01 2.652391E+02 1.749870E+00 9.972756E-02 2.665653E+02 1.811970E+00 1.001905E-01 2.678981E+02 1.848867E+00 1.051378E-01 2.692376E+02 1.889717E+00 1.079607E-01 2.705838E+02 1.857726E+00 1.028446E-01 2.719367E+02 1.890693E+00 1.044123E-01 2.732964E+02 1.770580E+00 1.005820E-01 2.746629E+02 1.883526E+00 1.032188E-01 2.760362E+02 1.888788E+00 1.048223E-01 2.774164E+02 1.757893E+00 9.960126E-02 2.788035E+02 1.927178E+00 1.048913E-01 2.801975E+02 2.169243E+00 1.123086E-01 2.815985E+02 2.570185E+00 1.204714E-01 2.830065E+02 3.386740E+00 1.406363E-01 2.844215E+02 3.901338E+00 1.478326E-01 2.858436E+02 3.258846E+00 1.351492E-01 2.872729E+02 2.734290E+00 1.217611E-01 2.887092E+02 2.347733E+00 1.109259E-01 2.901528E+02 2.057883E+00 1.050004E-01 2.916035E+02 2.023085E+00 1.067721E-01 2.930616E+02 2.021058E+00 1.044919E-01 2.945269E+02 1.978143E+00 1.025628E-01 2.959995E+02 2.007086E+00 1.069114E-01 2.974795E+02 2.127308E+00 1.070026E-01 2.989669E+02 2.236561E+00 1.096452E-01 3.004617E+02 2.373447E+00 1.118257E-01 3.019641E+02 2.543665E+00 1.170132E-01 3.034739E+02 2.764380E+00 1.231357E-01 3.049912E+02 2.690151E+00 1.198142E-01 3.065162E+02 2.899866E+00 1.224973E-01 3.080488E+02 3.002911E+00 1.263377E-01 3.095891E+02 3.059844E+00 1.275356E-01 3.111370E+02 2.867795E+00 1.234116E-01 3.126927E+02 2.650956E+00 1.198025E-01 3.142562E+02 2.104848E+00 1.058665E-01 3.158275E+02 1.794884E+00 9.866317E-02 3.174066E+02 1.774539E+00 9.807482E-02 3.189936E+02 1.748520E+00 9.496634E-02 3.205886E+02 1.693460E+00 9.243986E-02 3.221915E+02 1.609133E+00 9.137535E-02 3.238025E+02 1.632448E+00 9.396300E-02 3.254215E+02 1.658727E+00 9.500410E-02 3.270486E+02 1.613521E+00 9.251899E-02 3.286839E+02 1.640761E+00 9.143592E-02 3.303273E+02 1.625642E+00 9.268474E-02 3.319789E+02 1.711464E+00 9.263609E-02 3.336388E+02 1.870249E+00 9.761082E-02 3.353070E+02 1.929109E+00 9.955240E-02 3.369836E+02 1.979288E+00 1.003302E-01 3.386685E+02 2.036844E+00 1.024714E-01 3.403618E+02 1.937181E+00 9.845141E-02 3.420636E+02 1.741248E+00 9.332535E-02 3.437739E+02 1.704261E+00 9.231100E-02 3.454928E+02 1.858202E+00 9.751869E-02 3.472203E+02 1.848322E+00 9.921010E-02 3.489564E+02 1.969001E+00 1.008510E-01 3.507012E+02 2.555799E+00 1.142595E-01 3.524547E+02 3.099277E+00 1.282957E-01 3.542169E+02 3.096950E+00 1.256434E-01 3.559880E+02 2.970746E+00 1.232899E-01 3.577680E+02 2.223003E+00 1.063938E-01 3.595568E+02 1.839833E+00 9.630322E-02 3.613546E+02 1.594904E+00 8.945756E-02 3.631614E+02 1.512987E+00 8.833212E-02 3.649772E+02 1.371363E+00 8.268496E-02 3.668021E+02 1.477174E+00 8.679298E-02 3.686361E+02 1.591745E+00 8.816468E-02 3.704792E+02 1.641498E+00 9.013510E-02 3.723316E+02 1.523005E+00 8.863048E-02 3.741933E+02 1.540302E+00 9.008251E-02 3.760643E+02 1.709208E+00 9.283464E-02 3.779446E+02 1.704181E+00 9.176334E-02 3.798343E+02 1.833971E+00 9.532563E-02 3.817335E+02 2.128189E+00 1.020983E-01 3.836421E+02 2.892353E+00 1.208482E-01 3.855603E+02 3.058774E+00 1.249978E-01 3.874881E+02 2.160108E+00 1.024882E-01 3.894256E+02 1.661579E+00 9.147596E-02 3.913727E+02 1.497209E+00 8.332516E-02 3.933296E+02 1.586078E+00 8.796401E-02 3.952962E+02 1.656442E+00 9.035605E-02 3.972727E+02 1.795152E+00 9.506057E-02 3.992590E+02 1.794104E+00 9.460285E-02 4.012553E+02 1.683335E+00 9.161194E-02 4.032616E+02 1.769653E+00 9.330904E-02 4.052779E+02 1.686887E+00 9.236623E-02 4.073043E+02 1.852082E+00 9.576643E-02 4.093409E+02 1.992610E+00 9.988878E-02 4.113875E+02 2.195102E+00 1.041895E-01 4.134445E+02 2.641454E+00 1.150154E-01 4.155117E+02 2.681347E+00 1.162657E-01 4.175893E+02 2.162136E+00 1.024063E-01 4.196772E+02 1.731996E+00 9.222859E-02 4.217756E+02 1.845670E+00 9.517932E-02 4.238845E+02 2.029305E+00 9.999545E-02 4.260039E+02 2.302609E+00 1.057667E-01 4.281339E+02 2.308311E+00 1.059438E-01 4.302746E+02 2.181570E+00 1.028365E-01 4.324259E+02 1.944689E+00 9.845071E-02 4.345881E+02 1.865834E+00 9.613734E-02 4.367610E+02 1.977352E+00 9.950636E-02 4.389448E+02 2.036648E+00 9.797717E-02 4.411396E+02 2.280115E+00 1.053159E-01 4.433452E+02 2.305954E+00 1.061413E-01 4.455620E+02 2.091793E+00 1.031238E-01 4.477898E+02 1.958430E+00 9.792039E-02 4.500287E+02 1.939020E+00 9.811393E-02 4.522789E+02 1.890404E+00 9.560875E-02 4.545403E+02 1.937473E+00 9.732868E-02 4.568130E+02 2.057170E+00 1.004751E-01 4.590970E+02 1.863052E+00 9.445700E-02 4.613925E+02 1.949378E+00 9.753805E-02 4.636995E+02 1.936818E+00 9.776898E-02 4.660180E+02 2.017236E+00 9.983157E-02 4.683481E+02 2.036679E+00 1.011479E-01 4.706898E+02 1.877669E+00 9.529463E-02 4.730433E+02 2.091695E+00 1.000747E-01 4.754085E+02 2.062820E+00 1.004017E-01 4.777855E+02 2.090869E+00 1.004724E-01 4.801744E+02 2.205532E+00 1.024622E-01 4.825753E+02 2.062586E+00 9.989132E-02 4.849882E+02 1.937745E+00 9.715428E-02 4.874131E+02 1.923806E+00 9.778180E-02 4.898502E+02 1.758967E+00 9.084970E-02 4.922994E+02 1.755578E+00 9.186089E-02 4.947609E+02 1.651040E+00 9.038438E-02 4.972347E+02 1.726451E+00 9.369890E-02 4.997209E+02 1.856712E+00 9.631333E-02 5.022195E+02 1.787391E+00 9.341588E-02 5.047306E+02 1.781894E+00 9.418067E-02 5.072543E+02 1.700116E+00 9.042768E-02 5.097906E+02 1.706053E+00 9.089608E-02 5.123395E+02 1.608066E+00 8.772880E-02 5.149012E+02 1.699996E+00 9.170552E-02 5.174758E+02 1.534482E+00 8.666260E-02 5.200632E+02 1.646389E+00 9.156469E-02 5.226635E+02 1.764066E+00 9.651403E-02 5.252769E+02 1.652937E+00 9.143661E-02 5.279033E+02 1.746925E+00 9.339942E-02 5.305428E+02 1.663861E+00 8.984898E-02 5.331955E+02 1.695441E+00 9.121844E-02 5.358615E+02 1.584824E+00 8.797289E-02 5.385408E+02 1.684585E+00 9.280448E-02 5.412335E+02 1.667251E+00 9.231652E-02 5.439396E+02 1.526816E+00 8.631209E-02 5.466594E+02 1.518329E+00 8.535673E-02 5.493926E+02 1.714027E+00 9.293719E-02 5.521396E+02 1.684905E+00 9.192938E-02 5.549003E+02 1.669466E+00 9.134575E-02 5.576747E+02 1.598913E+00 9.104583E-02 5.604631E+02 1.662847E+00 9.139155E-02 5.632654E+02 1.524346E+00 8.726948E-02 5.660818E+02 1.579795E+00 8.940757E-02 5.689122E+02 1.695244E+00 9.214672E-02 5.717567E+02 1.625107E+00 9.081044E-02 5.746155E+02 1.697918E+00 9.166694E-02 5.774886E+02 1.610359E+00 9.114093E-02 5.803760E+02 1.652986E+00 9.257226E-02 5.832779E+02 1.671996E+00 9.312639E-02 5.861943E+02 1.519441E+00 8.759654E-02 5.891252E+02 1.638981E+00 9.318166E-02 5.920709E+02 1.673552E+00 9.395556E-02 5.950312E+02 1.512556E+00 8.746178E-02 5.980063E+02 1.632538E+00 9.233561E-02 6.009964E+02 1.753314E+00 9.573904E-02 6.040014E+02 1.678002E+00 9.313497E-02 6.070214E+02 1.681377E+00 9.383428E-02 6.100565E+02 1.667023E+00 9.423687E-02 6.131068E+02 1.678603E+00 9.280287E-02 6.161724E+02 1.814932E+00 9.807706E-02 6.192532E+02 1.635529E+00 9.202562E-02 6.223495E+02 1.746904E+00 9.557509E-02 6.254612E+02 1.840622E+00 9.934289E-02 6.285886E+02 1.794829E+00 9.665985E-02 6.317315E+02 1.875391E+00 9.889765E-02 6.348901E+02 2.091171E+00 1.038989E-01 6.380646E+02 2.401045E+00 1.120770E-01 6.412549E+02 2.481776E+00 1.164002E-01 6.444612E+02 2.207310E+00 1.073767E-01 6.476835E+02 1.966683E+00 1.014872E-01 6.509219E+02 1.799474E+00 9.829382E-02 6.541765E+02 1.810352E+00 9.966906E-02 6.574474E+02 1.920037E+00 1.021862E-01 6.607346E+02 2.137056E+00 1.085605E-01 6.640383E+02 2.083283E+00 1.066390E-01 6.673585E+02 2.087494E+00 1.056306E-01 6.706953E+02 2.268107E+00 1.097482E-01 6.740487E+02 2.496900E+00 1.165782E-01 6.774189E+02 2.649037E+00 1.204496E-01 6.808060E+02 2.858095E+00 1.249508E-01 6.842101E+02 2.833760E+00 1.263473E-01 6.876311E+02 2.953061E+00 1.285316E-01 6.910693E+02 2.677098E+00 1.192829E-01 6.945246E+02 2.667465E+00 1.221997E-01 6.979972E+02 2.344079E+00 1.132115E-01 7.014872E+02 2.229959E+00 1.115038E-01 7.049946E+02 2.183638E+00 1.082210E-01 7.085196E+02 2.307188E+00 1.137737E-01 7.120622E+02 2.619518E+00 1.207151E-01 7.156225E+02 3.145842E+00 1.354834E-01 7.192006E+02 3.257737E+00 1.375007E-01 7.227966E+02 3.146563E+00 1.331497E-01 7.264106E+02 2.927484E+00 1.305981E-01 7.300427E+02 2.839969E+00 1.308061E-01 7.336929E+02 2.734988E+00 1.246539E-01 7.373614E+02 2.762273E+00 1.254895E-01 7.410482E+02 2.666548E+00 1.236370E-01 7.447535E+02 2.322684E+00 1.168823E-01 7.484772E+02 2.082577E+00 1.096712E-01 7.522196E+02 2.184730E+00 1.126475E-01 7.559807E+02 2.225909E+00 1.151889E-01 7.597606E+02 2.006579E+00 1.047478E-01 7.635594E+02 2.283770E+00 1.149171E-01 7.673773E+02 2.651830E+00 1.258979E-01 7.712142E+02 3.244228E+00 1.379312E-01 7.750703E+02 3.579966E+00 1.467992E-01 7.789456E+02 3.724241E+00 1.468648E-01 7.828403E+02 3.459799E+00 1.422373E-01 7.867545E+02 2.951996E+00 1.334496E-01 7.906883E+02 2.889701E+00 1.297978E-01 7.946417E+02 2.764330E+00 1.263188E-01 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