********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: c-C4H5N * Name: Pyrrole * Edge: C 1s * Alpha Formula: C4H5N * Data Source: Hitchcock * Filename: po-0cckk.os * Ref. Code: NIH86 * Write Date: 93/06/16 * Reference: Can. J. Chem. 64 (86) 1145. * Source and Purity: (borrowed) * Acquisition Mode: EELS, 2 deg., 2500 eV CRE, 0.7 eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0po.c4 name2- 0poc.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 2.805950E+02 6.470000E+02 2.826227E-04 2.807530E+02 6.890000E+02 6.678606E-03 2.809120E+02 6.110000E+02 -4.899562E-03 2.810700E+02 6.310000E+02 -1.794208E-03 2.812290E+02 6.320000E+02 -1.538184E-03 2.813880E+02 6.230000E+02 -2.792990E-03 2.815460E+02 6.170000E+02 -3.600195E-03 2.817050E+02 6.420000E+02 2.998133E-04 2.818630E+02 6.260000E+02 -2.027375E-03 2.820220E+02 6.230000E+02 -2.380356E-03 2.821810E+02 6.030000E+02 -5.338157E-03 2.823390E+02 6.150000E+02 -3.399737E-03 2.824980E+02 5.840000E+02 -8.067981E-03 2.826560E+02 6.620000E+02 4.054750E-03 2.828150E+02 6.160000E+02 -2.938297E-03 2.829740E+02 6.770000E+02 6.623044E-03 2.831320E+02 6.170000E+02 -2.575916E-03 2.832910E+02 6.760000E+02 6.722403E-03 2.834490E+02 6.550000E+02 3.569404E-03 2.836080E+02 6.450000E+02 2.123795E-03 2.837670E+02 6.540000E+02 3.653691E-03 2.839250E+02 6.060000E+02 -3.780871E-03 2.840840E+02 6.400000E+02 1.686133E-03 2.842420E+02 6.670000E+02 6.072330E-03 2.844010E+02 6.800000E+02 8.261046E-03 2.845600E+02 7.530000E+02 1.999874E-02 2.847180E+02 9.560000E+02 5.251132E-02 2.848770E+02 1.183000E+03 8.902174E-02 2.850350E+02 1.928000E+03 2.086753E-01 2.851940E+02 2.910000E+03 3.669816E-01 2.853530E+02 4.326000E+03 5.959354E-01 2.855110E+02 5.877000E+03 8.478001E-01 2.856700E+02 7.189000E+03 1.062266E+00 2.858280E+02 8.651000E+03 1.302101E+00 2.859870E+02 9.781000E+03 1.489167E+00 2.861460E+02 1.036500E+04 1.588171E+00 2.863040E+02 1.103900E+04 1.702334E+00 2.864630E+02 1.048100E+04 1.615296E+00 2.866210E+02 1.010400E+04 1.557504E+00 2.867800E+02 9.312000E+03 1.431130E+00 2.869390E+02 8.547000E+03 1.308570E+00 2.870970E+02 7.576000E+03 1.151295E+00 2.872560E+02 6.666000E+03 1.003366E+00 2.874140E+02 5.937000E+03 8.847688E-01 2.875730E+02 5.298000E+03 7.805897E-01 2.877320E+02 4.839000E+03 7.059585E-01 2.878900E+02 4.745000E+03 6.920699E-01 2.880490E+02 4.341000E+03 6.260723E-01 2.882070E+02 4.154000E+03 5.962548E-01 2.883660E+02 3.858000E+03 5.479050E-01 2.885250E+02 3.675000E+03 5.184240E-01 2.886830E+02 3.568000E+03 5.016713E-01 2.888420E+02 3.492000E+03 4.901095E-01 2.890000E+02 3.640000E+03 5.166460E-01 2.891590E+02 3.686000E+03 5.258958E-01 2.893180E+02 3.791000E+03 5.452902E-01 2.894760E+02 3.890000E+03 5.637371E-01 2.896350E+02 4.158000E+03 6.113613E-01 2.897930E+02 4.469000E+03 6.666230E-01 2.899520E+02 4.751000E+03 7.171477E-01 2.901110E+02 4.989000E+03 7.602892E-01 2.902690E+02 5.415000E+03 8.362949E-01 2.904280E+02 5.760000E+03 8.985706E-01 2.905860E+02 6.027000E+03 9.475101E-01 2.907450E+02 6.198000E+03 9.798929E-01 2.909040E+02 6.511000E+03 1.037347E+00 2.910620E+02 6.622000E+03 1.059525E+00 2.912210E+02 6.817000E+03 1.096632E+00 2.913790E+02 6.989000E+03 1.129831E+00 2.915380E+02 6.641000E+03 1.071050E+00 2.916970E+02 6.768000E+03 1.096356E+00 2.918550E+02 6.780000E+03 1.101282E+00 2.920140E+02 6.720000E+03 1.093387E+00 2.921720E+02 6.576000E+03 1.070397E+00 2.923310E+02 6.305000E+03 1.024520E+00 2.924900E+02 6.406000E+03 1.045308E+00 2.926480E+02 6.184000E+03 1.007948E+00 2.928070E+02 6.072000E+03 9.902909E-01 2.929650E+02 5.923000E+03 9.658225E-01 2.931240E+02 5.919000E+03 9.675740E-01 2.932830E+02 5.834000E+03 9.545827E-01 2.934410E+02 5.850000E+03 9.599360E-01 2.936000E+02 5.722000E+03 9.389825E-01 2.937580E+02 5.699000E+03 9.371587E-01 2.939170E+02 5.722000E+03 9.437897E-01 2.940760E+02 5.825000E+03 9.651867E-01 2.942340E+02 5.817000E+03 9.661635E-01 2.943930E+02 5.731000E+03 9.527112E-01 2.945510E+02 5.892000E+03 9.850153E-01 2.947100E+02 5.912000E+03 9.912517E-01 2.948690E+02 5.896000E+03 9.907960E-01 2.950270E+02 6.016000E+03 1.015743E+00 2.951860E+02 5.929000E+03 1.002025E+00 2.953440E+02 6.041000E+03 1.025602E+00 2.955030E+02 6.078000E+03 1.035178E+00 2.956620E+02 6.125000E+03 1.046681E+00 2.958200E+02 6.248000E+03 1.072597E+00 2.959790E+02 6.326000E+03 1.090112E+00 2.961370E+02 6.545000E+03 1.134497E+00 2.962960E+02 6.376000E+03 1.105152E+00 2.964550E+02 6.679000E+03 1.165840E+00 2.966130E+02 6.530000E+03 1.140225E+00 2.967720E+02 6.793000E+03 1.193595E+00 2.969300E+02 6.670000E+03 1.172911E+00 2.970890E+02 6.676000E+03 1.177022E+00 2.972480E+02 6.620000E+03 1.169157E+00 2.974060E+02 6.624000E+03 1.172857E+00 2.975650E+02 6.793000E+03 1.208646E+00 2.977230E+02 6.605000E+03 1.175044E+00 2.978820E+02 6.454000E+03 1.148516E+00 2.980410E+02 6.386000E+03 1.138096E+00 2.981990E+02 6.436000E+03 1.150750E+00 2.983580E+02 6.443000E+03 1.155018E+00 2.985160E+02 6.412000E+03 1.151790E+00 2.986750E+02 6.297000E+03 1.131958E+00 2.988340E+02 6.263000E+03 1.128067E+00 2.989920E+02 6.175000E+03 1.113410E+00 2.991510E+02 6.284000E+03 1.137900E+00 2.993090E+02 6.159000E+03 1.115798E+00 2.994680E+02 6.220000E+03 1.130796E+00 2.996270E+02 6.124000E+03 1.114388E+00 2.997850E+02 6.142000E+03 1.120782E+00 2.999440E+02 6.169000E+03 1.129029E+00 3.001020E+02 6.129000E+03 1.123762E+00 3.002610E+02 6.006000E+03 1.101684E+00 3.004200E+02 6.105000E+03 1.124527E+00 3.005780E+02 6.184000E+03 1.143386E+00 3.007370E+02 5.999000E+03 1.108535E+00 3.008950E+02 5.984000E+03 1.108226E+00 3.010540E+02 5.907000E+03 1.095227E+00 3.012130E+02 5.954000E+03 1.107615E+00 3.013710E+02 5.815000E+03 1.081762E+00 3.015300E+02 5.797000E+03 1.080754E+00 3.016880E+02 5.866000E+03 1.097704E+00 3.018470E+02 5.762000E+03 1.078891E+00 3.020060E+02 5.685000E+03 1.065590E+00 3.021640E+02 5.792000E+03 1.090516E+00 3.023230E+02 5.648000E+03 1.063180E+00 3.024810E+02 5.600000E+03 1.055774E+00 3.026400E+02 5.614000E+03 1.061347E+00 3.027990E+02 5.532000E+03 1.046757E+00 3.029570E+02 5.686000E+03 1.081802E+00 3.031160E+02 5.667000E+03 1.080483E+00 3.032740E+02 5.537000E+03 1.055634E+00 3.034330E+02 5.490000E+03 1.048291E+00 3.035920E+02 5.477000E+03 1.048138E+00 3.037500E+02 5.307000E+03 1.014485E+00 3.039090E+02 5.493000E+03 1.056767E+00 3.040670E+02 5.232000E+03 1.003466E+00 3.042260E+02 5.286000E+03 1.017564E+00 3.043850E+02 5.323000E+03 1.028062E+00 3.045430E+02 5.175000E+03 9.986742E-01 3.047020E+02 5.235000E+03 1.014137E+00 3.048600E+02 5.174000E+03 1.003422E+00 3.050190E+02 5.059000E+03 9.809330E-01 3.051780E+02 5.054000E+03 9.822871E-01 3.053360E+02 5.056000E+03 9.851532E-01 3.054950E+02 5.047000E+03 9.856350E-01 3.056530E+02 4.965000E+03 9.700872E-01 3.058120E+02 4.992000E+03 9.784364E-01 3.059710E+02 4.633000E+03 9.017600E-01 3.061290E+02 4.791000E+03 9.388950E-01 3.062880E+02 4.721000E+03 9.257355E-01 3.064460E+02 4.728000E+03 9.295805E-01 3.066050E+02 4.803000E+03 9.485772E-01 3.067640E+02 4.666000E+03 9.203904E-01 3.069220E+02 4.741000E+03 9.394274E-01 3.070810E+02 4.731000E+03 9.395220E-01 3.072390E+02 4.573000E+03 9.063672E-01 3.073980E+02 4.543000E+03 9.018715E-01 3.075570E+02 4.680000E+03 9.350198E-01 3.077150E+02 4.492000E+03 8.948181E-01 3.078740E+02 4.427000E+03 8.823134E-01 3.080320E+02 4.538000E+03 9.097103E-01 3.081910E+02 4.454000E+03 8.928434E-01 3.083500E+02 4.484000E+03 9.019092E-01 3.085080E+02 4.463000E+03 8.993309E-01 3.086670E+02 4.415000E+03 8.905575E-01 3.088250E+02 4.354000E+03 8.787358E-01 3.089840E+02 4.471000E+03 9.078703E-01 3.091430E+02 4.300000E+03 8.706376E-01 3.093010E+02 4.203000E+03 8.503374E-01 3.094600E+02 4.224000E+03 8.573231E-01 3.096180E+02 4.409000E+03 9.024536E-01 3.097770E+02 4.222000E+03 8.611078E-01 3.099360E+02 4.266000E+03 8.735229E-01 3.100940E+02 4.244000E+03 8.705233E-01 3.102530E+02 4.115000E+03 8.424078E-01 3.104110E+02 4.116000E+03 8.447210E-01 3.105700E+02 4.207000E+03 8.682718E-01 3.107290E+02 4.195000E+03 8.675859E-01 3.108870E+02 4.128000E+03 8.538506E-01 3.110460E+02 4.162000E+03 8.640376E-01 3.112040E+02 3.980000E+03 8.228542E-01 3.113630E+02 3.951000E+03 8.179792E-01 3.115220E+02 3.988000E+03 8.288540E-01 3.116800E+02 4.087000E+03 8.546163E-01 3.118390E+02 3.994000E+03 8.343938E-01 3.119970E+02 3.839000E+03 7.991354E-01 3.121560E+02 3.915000E+03 8.194553E-01 3.123150E+02 3.908000E+03 8.197919E-01 3.124730E+02 3.902000E+03 8.203542E-01 3.126320E+02 4.005000E+03 8.474078E-01 3.127900E+02 3.912000E+03 8.268406E-01 3.129490E+02 3.941000E+03 8.359622E-01 3.131080E+02 3.872000E+03 8.211467E-01 3.132660E+02 3.828000E+03 8.123744E-01 3.134250E+02 3.922000E+03 8.374837E-01 3.135830E+02 3.707000E+03 7.865775E-01 3.137420E+02 3.839000E+03 8.211141E-01 3.139010E+02 3.780000E+03 8.085403E-01 3.140590E+02 3.781000E+03 8.107721E-01 3.142180E+02 3.760000E+03 8.075528E-01 3.143760E+02 3.857000E+03 8.337022E-01 3.145350E+02 3.671000E+03 7.893038E-01 3.146940E+02 3.613000E+03 7.767358E-01 3.148520E+02 3.662000E+03 7.909364E-01 3.150110E+02 3.634000E+03 7.858477E-01 3.151690E+02 3.750000E+03 8.170106E-01 3.153280E+02 3.760000E+03 8.215471E-01 3.154870E+02 3.647000E+03 7.949576E-01 3.156450E+02 3.578000E+03 7.793942E-01 3.158040E+02 3.544000E+03 7.726687E-01 3.159620E+02 3.620000E+03 7.939371E-01 3.161210E+02 3.606000E+03 7.923145E-01 3.162800E+02 3.487000E+03 7.637896E-01 3.164380E+02 3.492000E+03 7.669449E-01 3.165970E+02 3.592000E+03 7.945612E-01 3.167550E+02 3.576000E+03 7.923769E-01 3.169140E+02 3.568000E+03 7.922567E-01 3.170730E+02 3.436000E+03 7.600120E-01 3.172310E+02 3.562000E+03 7.945833E-01 3.173900E+02 3.574000E+03 7.996565E-01 3.175480E+02 3.410000E+03 7.588355E-01 3.177070E+02 3.520000E+03 7.894553E-01 3.178660E+02 3.489000E+03 7.832710E-01 3.180240E+02 3.432000E+03 7.702142E-01 3.181830E+02 3.475000E+03 7.834222E-01 3.183410E+02 3.295000E+03 7.378539E-01 3.185000E+02 3.465000E+03 7.846124E-01 3.186590E+02 3.374000E+03 7.624232E-01 3.188170E+02 3.395000E+03 7.698593E-01 3.189760E+02 3.320000E+03 7.517851E-01 3.191340E+02 3.399000E+03 7.746941E-01 3.192930E+02 3.400000E+03 7.768586E-01 3.194520E+02 3.323000E+03 7.581261E-01 3.196100E+02 3.367000E+03 7.717905E-01 3.197690E+02 3.354000E+03 7.701805E-01 3.199270E+02 3.386000E+03 7.806864E-01 3.200860E+02 3.304000E+03 7.604210E-01 3.202450E+02 3.275000E+03 7.544227E-01 3.204030E+02 3.211000E+03 7.388744E-01 3.205620E+02 3.215000E+03 7.417748E-01 3.207200E+02 3.242000E+03 7.509477E-01 3.208790E+02 3.311000E+03 7.716546E-01 3.210380E+02 3.241000E+03 7.543522E-01 3.211960E+02 3.149000E+03 7.309122E-01 3.213550E+02 3.151000E+03 7.332535E-01 3.215130E+02 3.160000E+03 7.375208E-01 3.216720E+02 3.148000E+03 7.360061E-01 3.218310E+02 3.160000E+03 7.411324E-01 3.219890E+02 3.171000E+03 7.459885E-01 3.221480E+02 3.267000E+03 7.745390E-01 3.223060E+02 3.162000E+03 7.471117E-01 3.224650E+02 3.236000E+03 7.696309E-01 3.226240E+02 3.156000E+03 7.490794E-01 3.227820E+02 3.071000E+03 7.270149E-01 3.229410E+02 3.060000E+03 7.256937E-01 3.230990E+02 3.178000E+03 7.607533E-01 3.232580E+02 3.106000E+03 7.422407E-01 3.234170E+02 3.079000E+03 7.363957E-01 3.235750E+02 3.020000E+03 7.214179E-01 3.237340E+02 3.134000E+03 7.556375E-01 3.238920E+02 3.066000E+03 7.380576E-01 3.240510E+02 3.069000E+03 7.407123E-01 3.242100E+02 3.116000E+03 7.559866E-01 3.243680E+02 3.059000E+03 7.414363E-01 3.245270E+02 2.981000E+03 7.207811E-01 3.246850E+02 3.026000E+03 7.355108E-01 3.248440E+02 3.061000E+03 7.474210E-01 3.250030E+02 3.050000E+03 7.460469E-01 3.251610E+02 2.959000E+03 7.214113E-01 3.253200E+02 2.976000E+03 7.281158E-01 3.254780E+02 2.916000E+03 7.123668E-01 3.256370E+02 2.909000E+03 7.120536E-01