HAT6, C54H84O6, G.J. Kearley, Delft University of Technology, The Netherlands, Chem. Phys. 330 (2006) 360-364 C (CM-1) COUNTS ERROR 1.250000E+02 1.891228E+00 7.694934E-02 1.262500E+02 2.855861E+00 9.404273E-02 1.275125E+02 3.100451E+00 9.743940E-02 1.287876E+02 2.904427E+00 9.378375E-02 1.300755E+02 2.850587E+00 9.243678E-02 1.313763E+02 3.070719E+00 9.542268E-02 1.326900E+02 2.875901E+00 9.185310E-02 1.340169E+02 2.992415E+00 9.321050E-02 1.353571E+02 3.032374E+00 9.337103E-02 1.367107E+02 2.886544E+00 9.065714E-02 1.380778E+02 2.946334E+00 9.110730E-02 1.394586E+02 2.992041E+00 9.128531E-02 1.408531E+02 2.867133E+00 8.886758E-02 1.422617E+02 2.889454E+00 8.875043E-02 1.436843E+02 2.850374E+00 8.771797E-02 1.451212E+02 2.840412E+00 8.710898E-02 1.465724E+02 2.804299E+00 8.610605E-02 1.480381E+02 2.821833E+00 8.592965E-02 1.495185E+02 2.742315E+00 8.428631E-02 1.510137E+02 2.602629E+00 8.171126E-02 1.525238E+02 2.607327E+00 8.139668E-02 1.540490E+02 2.753013E+00 8.322041E-02 1.555895E+02 2.851317E+00 8.425327E-02 1.571454E+02 2.890781E+00 8.443049E-02 1.587169E+02 2.921155E+00 8.448436E-02 1.603040E+02 2.791039E+00 8.219788E-02 1.619071E+02 2.784192E+00 8.169574E-02 1.635262E+02 2.733846E+00 8.061346E-02 1.651614E+02 2.592353E+00 7.817603E-02 1.668130E+02 2.559319E+00 7.738265E-02 1.684812E+02 2.394643E+00 7.457092E-02 1.701660E+02 2.427857E+00 7.478780E-02 1.718676E+02 2.373413E+00 7.363341E-02 1.735863E+02 2.344440E+00 7.288802E-02 1.753222E+02 2.251214E+00 7.117132E-02 1.770754E+02 2.189238E+00 6.989636E-02 1.788462E+02 2.232097E+00 7.027807E-02 1.806346E+02 2.201424E+00 6.950158E-02 1.824410E+02 2.002728E+00 6.601897E-02 1.842654E+02 2.028600E+00 6.618682E-02 1.861080E+02 2.024144E+00 6.584458E-02 1.879691E+02 2.022007E+00 6.555184E-02 1.898488E+02 1.944127E+00 6.399818E-02 1.917473E+02 1.930733E+00 6.350069E-02 1.936648E+02 1.897471E+00 6.269344E-02 1.956014E+02 1.924552E+00 6.286281E-02 1.975574E+02 1.739735E+00 5.946344E-02 1.995330E+02 1.762280E+00 5.956914E-02 2.015283E+02 1.842055E+00 6.064143E-02 2.035436E+02 1.820888E+00 6.003177E-02 2.055791E+02 1.863756E+00 6.044539E-02 2.076348E+02 1.839393E+00 5.981886E-02 2.097112E+02 1.886200E+00 6.035337E-02 2.118083E+02 1.718228E+00 5.741108E-02 2.139264E+02 1.687283E+00 5.667008E-02 2.160657E+02 1.696224E+00 5.659137E-02 2.182263E+02 1.655445E+00 5.571079E-02 2.204086E+02 1.807005E+00 5.799275E-02 2.226127E+02 1.669372E+00 5.552470E-02 2.248388E+02 1.672025E+00 5.535807E-02 2.270872E+02 1.923035E+00 5.915201E-02 2.293580E+02 2.214711E+00 6.322300E-02 2.316516E+02 2.399185E+00 6.558504E-02 2.339681E+02 2.571292E+00 6.770230E-02 2.363078E+02 2.855646E+00 7.115201E-02 2.386709E+02 3.061746E+00 7.347369E-02 2.410576E+02 2.949454E+00 7.190413E-02 2.434682E+02 3.047290E+00 7.285637E-02 2.459029E+02 2.824012E+00 6.991579E-02 2.483619E+02 2.644649E+00 6.742068E-02 2.508455E+02 2.528150E+00 6.566150E-02 2.533540E+02 2.446818E+00 6.436100E-02 2.558875E+02 2.351900E+00 6.286409E-02 2.584464E+02 2.201714E+00 6.063267E-02 2.610309E+02 2.240524E+00 6.097963E-02 2.636412E+02 2.152683E+00 5.956629E-02 2.662776E+02 2.204677E+00 6.007792E-02 2.689404E+02 2.321752E+00 6.148202E-02 2.716298E+02 2.213868E+00 5.985550E-02 2.743461E+02 2.199419E+00 5.950692E-02 2.770895E+02 2.125019E+00 5.832595E-02 2.798604E+02 1.986190E+00 5.622161E-02 2.826591E+02 1.760944E+00 5.277461E-02 2.854857E+02 1.707862E+00 5.183687E-02 2.883405E+02 1.784563E+00 5.285731E-02 2.912239E+02 1.611132E+00 5.012584E-02 2.941361E+02 1.703433E+00 5.145546E-02 2.970775E+02 1.705519E+00 5.136267E-02 3.000483E+02 1.536687E+00 4.863032E-02 3.030488E+02 1.403992E+00 4.634976E-02 3.060793E+02 1.474514E+00 4.738997E-02 3.091400E+02 1.561215E+00 4.865614E-02 3.122314E+02 1.616518E+00 4.940869E-02 3.153538E+02 1.599011E+00 4.904260E-02 3.185073E+02 1.643190E+00 4.962889E-02 3.216924E+02 1.601791E+00 4.890231E-02 3.249093E+02 1.550656E+00 4.801349E-02 3.281584E+02 1.677976E+00 4.985707E-02 3.314399E+02 1.642919E+00 4.927046E-02 3.347543E+02 1.620200E+00 4.883383E-02 3.381019E+02 1.429080E+00 4.578621E-02 3.414829E+02 1.418842E+00 4.555070E-02 3.448977E+02 1.380860E+00 4.487308E-02 3.483467E+02 1.385826E+00 4.487546E-02 3.518301E+02 1.469408E+00 4.613462E-02 3.553484E+02 1.390438E+00 4.481519E-02 3.589019E+02 1.469977E+00 4.600500E-02 3.624910E+02 1.485282E+00 4.619237E-02 3.661159E+02 1.593347E+00 4.778382E-02 3.697770E+02 1.491319E+00 4.616445E-02 3.734748E+02 1.433919E+00 4.521273E-02 3.772096E+02 1.234417E+00 4.191258E-02 3.809817E+02 1.235665E+00 4.188035E-02 3.847915E+02 1.201917E+00 4.127885E-02 3.886394E+02 1.307583E+00 4.302569E-02 3.925258E+02 1.263995E+00 4.228118E-02 3.964510E+02 1.366455E+00 4.393256E-02 4.004155E+02 1.270293E+00 4.232543E-02 4.044197E+02 1.302044E+00 4.284030E-02 4.084639E+02 1.301732E+00 4.281042E-02 4.125485E+02 1.280109E+00 4.242436E-02 4.166740E+02 1.355433E+00 4.364884E-02 4.208407E+02 1.338853E+00 4.338983E-02 4.250491E+02 1.318902E+00 4.305746E-02 4.292996E+02 1.336639E+00 4.334322E-02 4.335926E+02 1.398138E+00 4.429830E-02 4.379286E+02 1.289282E+00 4.249879E-02 4.423078E+02 1.417177E+00 4.453432E-02 4.467309E+02 1.383606E+00 4.401851E-02 4.511982E+02 1.382599E+00 4.399621E-02 4.557102E+02 1.272796E+00 4.220564E-02 4.602673E+02 1.216544E+00 4.126075E-02 4.648700E+02 1.137821E+00 3.991422E-02 4.695187E+02 1.240448E+00 4.167494E-02 4.742139E+02 1.247166E+00 4.182484E-02 4.789560E+02 1.283967E+00 4.246126E-02 4.837455E+02 1.262261E+00 4.212881E-02 4.885830E+02 1.227493E+00 4.157262E-02 4.934688E+02 1.233750E+00 4.172289E-02 4.984035E+02 1.113647E+00 3.966586E-02 5.033876E+02 1.096490E+00 3.938986E-02 5.084214E+02 1.086336E+00 3.927924E-02 5.135057E+02 1.072117E+00 3.905766E-02 5.186407E+02 1.029745E+00 3.832392E-02 5.238271E+02 1.143255E+00 4.043560E-02 5.290654E+02 1.293775E+00 4.308688E-02 5.343561E+02 1.244398E+00 4.231811E-02 5.396996E+02 1.096878E+00 3.978866E-02 5.450966E+02 9.957927E-01 3.792779E-02 5.505476E+02 1.035091E+00 3.872317E-02 5.560531E+02 9.786367E-01 3.774554E-02 5.616136E+02 9.482172E-01 3.724530E-02 5.672298E+02 9.598880E-01 3.753958E-02 5.729021E+02 9.770400E-01 3.792289E-02 5.786311E+02 1.020836E+00 3.884906E-02 5.844174E+02 9.650332E-01 3.787640E-02 5.902616E+02 1.054026E+00 3.970735E-02 5.961642E+02 1.148479E+00 4.155053E-02 6.021259E+02 1.004564E+00 3.895516E-02 6.081471E+02 1.045067E+00 3.983445E-02 6.142286E+02 1.025733E+00 3.955726E-02 6.203708E+02 9.291755E-01 3.773524E-02 6.265746E+02 9.433692E-01 3.812417E-02 6.328403E+02 9.462234E-01 3.826262E-02 6.391688E+02 8.904178E-01 3.722860E-02 6.455604E+02 9.468793E-01 3.850139E-02 6.520161E+02 9.601322E-01 3.888835E-02 6.585362E+02 9.168338E-01 3.808910E-02 6.651216E+02 1.007387E+00 4.000767E-02 6.717728E+02 9.999285E-01 3.999160E-02 6.784905E+02 1.021873E+00 4.055499E-02 6.852755E+02 1.009983E+00 4.043883E-02 6.921282E+02 9.945029E-01 4.024861E-02 6.990495E+02 1.011740E+00 1.100476E-01 7.000000E+02 9.751350E-01 5.647055E-02 7.035000E+02 1.050421E+00 5.870509E-02 7.070175E+02 1.195612E+00 6.274400E-02 7.105526E+02 1.302184E+00 6.557447E-02 7.141053E+02 1.373353E+00 6.743245E-02 7.176759E+02 1.524648E+00 7.120908E-02 7.212643E+02 1.783658E+00 7.719552E-02 7.248706E+02 1.825233E+00 7.824526E-02 7.284949E+02 1.650189E+00 7.450479E-02 7.321374E+02 1.417881E+00 6.915721E-02 7.357981E+02 1.387518E+00 6.854333E-02 7.394771E+02 1.447921E+00 7.016376E-02 7.431745E+02 1.591441E+00 7.370546E-02 7.468904E+02 1.549633E+00 7.285548E-02 7.506248E+02 1.652243E+00 7.534714E-02 7.543779E+02 1.491189E+00 7.163126E-02 7.581498E+02 1.263984E+00 6.602248E-02 7.619406E+02 1.157591E+00 6.330252E-02 7.657503E+02 1.114304E+00 6.225510E-02 7.695790E+02 1.059681E+00 6.079728E-02 7.734269E+02 1.028438E+00 5.997674E-02 7.772941E+02 1.015307E+00 5.969354E-02 7.811805E+02 1.076435E+00 6.159240E-02 7.850864E+02 1.155770E+00 6.390615E-02 7.890118E+02 1.173791E+00 6.455906E-02 7.929569E+02 1.168025E+00 6.449883E-02 7.969217E+02 1.198024E+00 6.538238E-02 8.009063E+02 1.276396E+00 6.759093E-02 8.049108E+02 1.240150E+00 6.677495E-02 8.089354E+02 1.327296E+00 6.924874E-02 8.129800E+02 1.557815E+00 7.517944E-02 8.170449E+02 1.667941E+00 7.790082E-02 8.211301E+02 1.671384E+00 7.811145E-02 8.252358E+02 1.612224E+00 7.685179E-02 8.293619E+02 1.493444E+00 7.410069E-02 8.335087E+02 1.440320E+00 7.297570E-02 8.376763E+02 1.337270E+00 7.043710E-02 8.418646E+02 1.248438E+00 6.813335E-02 8.460740E+02 1.210536E+00 6.717584E-02 8.503043E+02 1.305880E+00 6.988242E-02 8.545558E+02 1.346869E+00 7.108892E-02 8.588286E+02 1.262990E+00 6.894010E-02 8.631227E+02 1.180939E+00 6.672934E-02 8.674384E+02 1.298506E+00 7.009523E-02 8.717756E+02 1.332392E+00 7.113094E-02 8.761345E+02 1.440631E+00 7.412202E-02 8.805151E+02 1.538936E+00 7.679912E-02 8.849177E+02 1.582057E+00 7.808515E-02 8.893423E+02 1.512373E+00 7.645634E-02 8.937890E+02 1.556820E+00 7.772087E-02 8.982579E+02 1.551155E+00 7.776174E-02 9.027492E+02 1.524856E+00 7.721703E-02 9.072629E+02 1.490005E+00 7.645544E-02 9.117993E+02 1.303921E+00 7.167695E-02 9.163583E+02 1.431662E+00 7.524782E-02 9.209401E+02 1.384644E+00 7.410635E-02 9.255447E+02 1.488088E+00 7.696931E-02 9.301725E+02 1.609612E+00 8.013694E-02 9.348234E+02 1.511716E+00 7.777283E-02 9.394975E+02 1.404999E+00 7.516031E-02 9.441950E+02 1.308154E+00 7.266037E-02 9.489160E+02 1.143991E+00 6.803241E-02 9.536605E+02 1.087030E+00 6.647215E-02 9.584288E+02 1.235505E+00 7.099411E-02 9.632209E+02 1.358943E+00 7.453271E-02 9.680370E+02 1.204939E+00 7.022738E-02 9.728773E+02 1.252439E+00 7.176629E-02 9.777416E+02 1.362558E+00 7.503477E-02 9.826304E+02 1.432945E+00 7.706551E-02 9.875435E+02 1.570536E+00 8.074852E-02 9.924813E+02 1.641537E+00 8.268563E-02 9.974437E+02 1.670792E+00 8.363514E-02 1.002431E+03 1.583419E+00 8.162156E-02 1.007443E+03 1.551355E+00 8.094954E-02 1.012480E+03 1.497105E+00 7.957390E-02 1.017543E+03 1.435092E+00 7.797720E-02 1.022630E+03 1.445776E+00 7.843012E-02 1.027744E+03 1.283603E+00 7.407261E-02 1.032882E+03 1.331418E+00 7.562913E-02 1.038047E+03 1.484290E+00 7.994843E-02 1.043237E+03 1.598184E+00 8.306142E-02 1.048453E+03 1.628337E+00 8.396679E-02 1.053695E+03 1.704683E+00 8.605134E-02 1.058964E+03 1.635787E+00 8.441163E-02 1.064259E+03 1.590938E+00 8.341194E-02 1.069580E+03 1.606443E+00 8.397917E-02 1.074928E+03 1.402373E+00 7.859996E-02 1.080302E+03 1.325902E+00 7.657561E-02 1.085704E+03 1.392483E+00 7.859331E-02 1.091132E+03 1.362598E+00 7.782988E-02 1.096588E+03 1.301657E+00 7.619389E-02 1.102071E+03 1.282691E+00 7.576541E-02 1.107581E+03 1.364094E+00 7.823995E-02 1.113119E+03 1.450737E+00 8.077111E-02 1.118685E+03 1.511803E+00 8.258960E-02 1.124278E+03 1.567145E+00 8.424976E-02 1.129900E+03 1.487183E+00 8.221022E-02 1.135549E+03 1.515971E+00 8.316703E-02 1.141227E+03 1.445348E+00 8.133048E-02 1.146933E+03 1.450358E+00 8.158115E-02 1.152668E+03 1.290006E+00 7.696947E-02 1.158431E+03 1.294244E+00 7.720810E-02 1.164223E+03 1.296456E+00 7.739165E-02 1.170044E+03 1.428711E+00 8.139252E-02 1.175894E+03 1.376942E+00 8.008438E-02 1.181774E+03 1.388207E+00 8.062779E-02 1.187683E+03 1.486410E+00 8.354515E-02 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