********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: C6H5OH * Name: Phenol * Edge: C 1s * Alpha Formula: C6H6O * Data Source: Hitchcock * Filename: qm-0cckk.os * Ref. Code: FH92 * Write Date: 93/06/10 * Reference: J. Phys. Chem. 96 (92) 6598. * Source and Purity: (Chem lab) * Acquisition Mode: EELS, 2 deg., 2500 eV CRE, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0qmc name2- 0qmc.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 2.758265E+02 1.470224E+03 -3.940975E-03 2.759815E+02 1.496714E+03 -5.184474E-04 2.761365E+02 1.537042E+03 4.447213E-03 2.762915E+02 1.532744E+03 4.432852E-03 2.764465E+02 1.479756E+03 -1.053685E-03 2.766015E+02 1.429400E+03 -6.287184E-03 2.767565E+02 1.524914E+03 4.866858E-03 2.769115E+02 1.528193E+03 5.649094E-03 2.770665E+02 1.458278E+03 -1.862978E-03 2.772215E+02 1.491821E+03 2.313769E-03 2.773765E+02 1.430032E+03 -4.345245E-03 2.775315E+02 1.407558E+03 -6.566111E-03 2.776865E+02 1.449675E+03 -1.425720E-03 2.778415E+02 1.421585E+03 -4.316715E-03 2.779965E+02 1.441311E+03 -1.739222E-03 2.781515E+02 1.512977E+03 6.822904E-03 2.783065E+02 1.477347E+03 3.029233E-03 2.784615E+02 1.483404E+03 4.032293E-03 2.786165E+02 1.413374E+03 -3.797735E-03 2.787715E+02 1.474299E+03 3.557608E-03 2.789265E+02 1.390051E+03 -5.988217E-03 2.790815E+02 1.419885E+03 -2.253133E-03 2.792365E+02 1.377518E+03 -6.968974E-03 2.793914E+02 1.496617E+03 7.253444E-03 2.795464E+02 1.471781E+03 4.587263E-03 2.797014E+02 1.444013E+03 1.554465E-03 2.798564E+02 1.433807E+03 5.782216E-04 2.800114E+02 1.462377E+03 4.191265E-03 2.801664E+02 1.411809E+03 -1.597439E-03 2.803214E+02 1.434808E+03 1.350947E-03 2.804764E+02 1.431068E+03 1.111733E-03 2.806314E+02 1.408011E+03 -1.449403E-03 2.807864E+02 1.425601E+03 8.538288E-04 2.809414E+02 1.394604E+03 -2.687890E-03 2.810964E+02 1.377238E+03 -4.606986E-03 2.812514E+02 1.387885E+03 -3.150759E-03 2.814064E+02 1.394018E+03 -2.239790E-03 2.815614E+02 1.424299E+03 1.607438E-03 2.817164E+02 1.442953E+03 4.051497E-03 2.818714E+02 1.386528E+03 -2.672493E-03 2.820264E+02 1.433038E+03 3.176756E-03 2.821814E+02 1.404492E+03 -1.673389E-04 2.823364E+02 1.408972E+03 5.339091E-04 2.824914E+02 1.424237E+03 2.565747E-03 2.826464E+02 1.448621E+03 5.731751E-03 2.828014E+02 1.429283E+03 3.486921E-03 2.829564E+02 1.435240E+03 4.372344E-03 2.831114E+02 1.527013E+03 1.595393E-02 2.832664E+02 1.493229E+03 1.190197E-02 2.834214E+02 1.514739E+03 1.475187E-02 2.835764E+02 1.558325E+03 2.038416E-02 2.837314E+02 1.558995E+03 2.063927E-02 2.838864E+02 1.625824E+03 2.923963E-02 2.840414E+02 1.770801E+03 4.776252E-02 2.841964E+02 2.151502E+03 9.625903E-02 2.843514E+02 2.968239E+03 2.004068E-01 2.845064E+02 4.613349E+03 4.105979E-01 2.846614E+02 7.522409E+03 7.832369E-01 2.848164E+02 1.166731E+04 1.315910E+00 2.849714E+02 1.593719E+04 1.867212E+00 2.851264E+02 1.863582E+04 2.219046E+00 2.852814E+02 1.853226E+04 2.211192E+00 2.854364E+02 1.624993E+04 1.921613E+00 2.855914E+02 1.279217E+04 1.478278E+00 2.857464E+02 9.558471E+03 1.061878E+00 2.859014E+02 7.008568E+03 7.324868E-01 2.860564E+02 5.379337E+03 5.216708E-01 2.862114E+02 4.443490E+03 4.005590E-01 2.863664E+02 4.329339E+03 3.866409E-01 2.865214E+02 4.900231E+03 4.627304E-01 2.866764E+02 6.310611E+03 6.498409E-01 2.868314E+02 7.840187E+03 8.536040E-01 2.869864E+02 8.846725E+03 9.890698E-01 2.871414E+02 9.082096E+03 1.022793E+00 2.872964E+02 8.441336E+03 9.400604E-01 2.874514E+02 7.129287E+03 7.673553E-01 2.876064E+02 6.182417E+03 6.426464E-01 2.877614E+02 5.363215E+03 5.344428E-01 2.879164E+02 4.860660E+03 4.682645E-01 2.880714E+02 4.733519E+03 4.523348E-01 2.882264E+02 5.021224E+03 4.923438E-01 2.883814E+02 5.138124E+03 5.094204E-01 2.885364E+02 5.426249E+03 5.498086E-01 2.886914E+02 6.056285E+03 6.368936E-01 2.888464E+02 6.439369E+03 6.907218E-01 2.890014E+02 6.811403E+03 7.432938E-01 2.891564E+02 6.665702E+03 7.251800E-01 2.893114E+02 6.772567E+03 7.416593E-01 2.894664E+02 6.559388E+03 7.141523E-01 2.896214E+02 6.238742E+03 6.716769E-01 2.897764E+02 6.379297E+03 6.927884E-01 2.899314E+02 6.341879E+03 6.893175E-01 2.900864E+02 6.653760E+03 7.343749E-01 2.902414E+02 6.868747E+03 7.661430E-01 2.903964E+02 7.198317E+03 8.140606E-01 2.905514E+02 7.476117E+03 8.549537E-01 2.907064E+02 7.770112E+03 8.983093E-01 2.908614E+02 7.941660E+03 9.246412E-01 2.910164E+02 7.979520E+03 9.322411E-01 2.911714E+02 8.025466E+03 9.410138E-01 2.913264E+02 7.982400E+03 9.372092E-01 2.914814E+02 7.971200E+03 9.379050E-01 2.916364E+02 8.060708E+03 9.529333E-01 2.917914E+02 8.220289E+03 9.780263E-01 2.919464E+02 8.387971E+03 1.004391E+00 2.921013E+02 8.455370E+03 1.016495E+00 2.922563E+02 8.727541E+03 1.058080E+00 2.924113E+02 8.624904E+03 1.045857E+00 2.925663E+02 8.923695E+03 1.091540E+00 2.927213E+02 9.174159E+03 1.130437E+00 2.928763E+02 9.207695E+03 1.138035E+00 2.930313E+02 9.160830E+03 1.133966E+00 2.931863E+02 9.558363E+03 1.194660E+00 2.933413E+02 9.435078E+03 1.179522E+00 2.934963E+02 9.687629E+03 1.219359E+00 2.936513E+02 9.813668E+03 1.240800E+00 2.938063E+02 9.924064E+03 1.260032E+00 2.939613E+02 9.807129E+03 1.245806E+00 2.941163E+02 9.921381E+03 1.265693E+00 2.942713E+02 9.917164E+03 1.268105E+00 2.944263E+02 9.857415E+03 1.262267E+00 2.945813E+02 9.816556E+03 1.259206E+00 2.947363E+02 9.699380E+03 1.244727E+00 2.948913E+02 9.912084E+03 1.279537E+00 2.950463E+02 9.832740E+03 1.270696E+00 2.952013E+02 9.754616E+03 1.261987E+00 2.953563E+02 9.669330E+03 1.252147E+00 2.955113E+02 9.602822E+03 1.245090E+00 2.956663E+02 9.463999E+03 1.227039E+00 2.958213E+02 9.630043E+03 1.255169E+00 2.959763E+02 9.605074E+03 1.254362E+00 2.961313E+02 9.406029E+03 1.226995E+00 2.962863E+02 9.298841E+03 1.213531E+00 2.964413E+02 9.235492E+03 1.206713E+00 2.965963E+02 9.158744E+03 1.197797E+00 2.967513E+02 9.125430E+03 1.195516E+00 2.969063E+02 9.031438E+03 1.183853E+00 2.970613E+02 9.167232E+03 1.207668E+00 2.972163E+02 9.110841E+03 1.201791E+00 2.973713E+02 9.017840E+03 1.190190E+00 2.975263E+02 8.983791E+03 1.187708E+00 2.976813E+02 8.920494E+03 1.180640E+00 2.978363E+02 8.783274E+03 1.161961E+00 2.979913E+02 8.686597E+03 1.149546E+00 2.981463E+02 8.695212E+03 1.153621E+00 2.983013E+02 8.808797E+03 1.174251E+00 2.984563E+02 8.720144E+03 1.163021E+00 2.986113E+02 8.658314E+03 1.155978E+00 2.987663E+02 8.497707E+03 1.133216E+00 2.989213E+02 8.752203E+03 1.176377E+00 2.990763E+02 8.966662E+03 1.213349E+00 2.992313E+02 8.980692E+03 1.218450E+00 2.993863E+02 8.754024E+03 1.185006E+00 2.995413E+02 8.860799E+03 1.204941E+00 2.996963E+02 8.847422E+03 1.205623E+00 2.998513E+02 8.902478E+03 1.217340E+00 3.000063E+02 8.906587E+03 1.220865E+00 3.001613E+02 8.942716E+03 1.229588E+00 3.003163E+02 9.014449E+03 1.244128E+00 3.004713E+02 9.116264E+03 1.263626E+00 3.006263E+02 8.980807E+03 1.244480E+00 3.007813E+02 8.954127E+03 1.243031E+00 3.009363E+02 9.041371E+03 1.260249E+00 3.010913E+02 8.989777E+03 1.254718E+00 3.012463E+02 9.053989E+03 1.268233E+00 3.014013E+02 9.097000E+03 1.278301E+00 3.015563E+02 9.098515E+03 1.281539E+00 3.017113E+02 8.969082E+03 1.263060E+00 3.018663E+02 8.820463E+03 1.241296E+00 3.020213E+02 9.109809E+03 1.292417E+00 3.021763E+02 8.832808E+03 1.249158E+00 3.023313E+02 8.889565E+03 1.261573E+00 3.024863E+02 8.962221E+03 1.276706E+00 3.026413E+02 8.833805E+03 1.258077E+00 3.027963E+02 8.698193E+03 1.238140E+00 3.029513E+02 8.691445E+03 1.239881E+00 3.031063E+02 8.601211E+03 1.227479E+00 3.032613E+02 8.640932E+03 1.237076E+00 3.034163E+02 8.556000E+03 1.225497E+00 3.035713E+02 8.497619E+03 1.218385E+00 3.037263E+02 8.503022E+03 1.222137E+00 3.038813E+02 8.520590E+03 1.227983E+00 3.040363E+02 8.258176E+03 1.185759E+00 3.041913E+02 8.255870E+03 1.188111E+00 3.043463E+02 8.202849E+03 1.181714E+00 3.045013E+02 8.067080E+03 1.160971E+00 3.046563E+02 8.220701E+03 1.190287E+00 3.048112E+02 8.007752E+03 1.156042E+00 3.049662E+02 7.883166E+03 1.137020E+00 3.051212E+02 7.994419E+03 1.159066E+00 3.052762E+02 8.005807E+03 1.163736E+00 3.054312E+02 7.796343E+03 1.129695E+00 3.055862E+02 7.801488E+03 1.133207E+00 3.057412E+02 7.568550E+03 1.094788E+00 3.058962E+02 7.704368E+03 1.121293E+00 3.060512E+02 7.504577E+03 1.088521E+00 3.062062E+02 7.384167E+03 1.069673E+00 3.063612E+02 7.263075E+03 1.050609E+00 3.065162E+02 7.228059E+03 1.046788E+00 3.066712E+02 7.312879E+03 1.064345E+00 3.068262E+02 7.183781E+03 1.043684E+00 3.069812E+02 7.023485E+03 1.017325E+00 3.071362E+02 6.857515E+03 9.898184E-01 3.072912E+02 7.077618E+03 1.031762E+00 3.074462E+02 6.849565E+03 9.929338E-01 3.076012E+02 6.793761E+03 9.851090E-01 3.077562E+02 6.704383E+03 9.711493E-01 3.079112E+02 6.635059E+03 9.607670E-01 3.080662E+02 6.558721E+03 9.490525E-01 3.082212E+02 6.606787E+03 9.600090E-01 3.083762E+02 6.688676E+03 9.772035E-01 3.085312E+02 6.408891E+03 9.280859E-01 3.086862E+02 6.509630E+03 9.487418E-01 3.088412E+02 6.341090E+03 9.198347E-01 3.089962E+02 6.203878E+03 8.965798E-01 3.091512E+02 6.254852E+03 9.080698E-01 3.093062E+02 6.393021E+03 9.357941E-01 3.094612E+02 6.161276E+03 8.948094E-01 3.096162E+02 6.236561E+03 9.108906E-01 3.097712E+02 6.112349E+03 8.897510E-01 3.099262E+02 6.110103E+03 8.913581E-01 3.100812E+02 6.060708E+03 8.841144E-01 3.102362E+02 6.122165E+03 8.976932E-01 3.103912E+02 6.045765E+03 8.853261E-01 3.105462E+02 5.995929E+03 8.779192E-01 3.107012E+02 5.905172E+03 8.627199E-01 3.108562E+02 5.781787E+03 8.412498E-01 3.110112E+02 5.846211E+03 8.554233E-01 3.111662E+02 5.860155E+03 8.600258E-01 3.113212E+02 5.987372E+03 8.863010E-01 3.114762E+02 5.734219E+03 8.398015E-01 3.116312E+02 5.794818E+03 8.533447E-01 3.117862E+02 5.707154E+03 8.384045E-01 3.119412E+02 5.765539E+03 8.515680E-01 3.120962E+02 5.725264E+03 8.457088E-01 3.122512E+02 5.648221E+03 8.326926E-01 3.124062E+02 5.657995E+03 8.364754E-01 3.125612E+02 5.536904E+03 8.147944E-01 3.127162E+02 5.558349E+03 8.208202E-01 3.128712E+02 5.621860E+03 8.350945E-01 3.130262E+02 5.498000E+03 8.127054E-01 3.131812E+02 5.411262E+03 7.975025E-01 3.133362E+02 5.470290E+03 8.109229E-01 3.134912E+02 5.532723E+03 8.250707E-01 3.136462E+02 5.574197E+03 8.351325E-01 3.138012E+02 5.393051E+03 8.011107E-01 3.139562E+02 5.420566E+03 8.083811E-01 3.141112E+02 5.384178E+03 8.029566E-01 3.142662E+02 5.380173E+03 8.039642E-01 3.144212E+02 5.290307E+03 7.878006E-01 3.145762E+02 5.275735E+03 7.866511E-01 3.147312E+02 5.401179E+03 8.136188E-01 3.148862E+02 5.348937E+03 8.049279E-01 3.150412E+02 5.251552E+03 7.870845E-01 3.151962E+02 5.126784E+03 7.636186E-01 3.153512E+02 5.144733E+03 7.689696E-01 3.155062E+02 4.991669E+03 7.396008E-01 3.156612E+02 5.097342E+03 7.627729E-01 3.158162E+02 5.187234E+03 7.828239E-01 3.159712E+02 5.066986E+03 7.599858E-01 3.161262E+02 5.017666E+03 7.515781E-01 3.162812E+02 5.100687E+03 7.703135E-01 3.164362E+02 5.175818E+03 7.875035E-01 3.165912E+02 5.084250E+03 7.703699E-01 3.167462E+02 5.074778E+03 7.701322E-01 3.169012E+02 5.139416E+03 7.852484E-01 3.170562E+02 5.083048E+03 7.752926E-01 3.172112E+02 5.063877E+03 7.730312E-01 3.173661E+02 4.987193E+03 7.587557E-01 3.175211E+02 5.017606E+03 7.668064E-01 3.176761E+02 4.853233E+03 7.340681E-01 3.178311E+02 5.028708E+03 7.725580E-01 3.179861E+02 4.846697E+03 7.359650E-01 3.181411E+02 4.944040E+03 7.581385E-01 3.182961E+02 5.010402E+03 7.738555E-01 3.184511E+02 4.870274E+03 7.458824E-01 3.186061E+02 4.931866E+03 7.606201E-01 3.187611E+02 4.805337E+03 7.353790E-01 3.189161E+02 4.937842E+03 7.652764E-01 3.190711E+02 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