********************* Core Excitation Data ******************** **************** A.P. Hitchcock & D.C. Mancini **************** * * Formula: p-NH2C6H4NO2 * Name: para nitroaniline * Edge: N 1s * Alpha Formula: C6H6N2O2 * Data Source: Hitchcock * Filename: nq-0nnkk.os * Ref. Code: TUH96 * Write Date: 08/05/98 * Reference: Can. J. Chem. 74 (1996) 851. * Source and Purity: scavenged from chem fume hood * Acquisition Mode: EELS, 2 deg, 2500eV CRE mode, 0.7eV fwhm *-------------------------------------------------------------- * No. of Spectra: 2 name1- 0nqn name2- 0nqn.os * E (eV) Raw data Osc. Str. per atom (E-2) *-------------------------------------------------------------- 3.851112E+02 4.112970E+03 1.073580E-02 3.853098E+02 4.073012E+03 -6.886098E-03 3.855084E+02 4.086649E+03 4.123045E-03 3.857070E+02 4.082928E+03 5.850261E-03 3.859055E+02 4.052844E+03 -6.585953E-03 3.861041E+02 4.054011E+03 -2.258413E-03 3.863027E+02 4.065603E+03 7.691965E-03 3.865013E+02 4.027712E+03 -9.038969E-03 3.866998E+02 4.066068E+03 1.538235E-02 3.868984E+02 4.028980E+03 -9.723268E-04 3.870970E+02 4.030442E+03 3.515986E-03 3.872955E+02 4.030284E+03 7.130778E-03 3.874941E+02 4.009510E+03 -4.657475E-04 3.876927E+02 4.013867E+03 5.597196E-03 3.878912E+02 4.006965E+03 5.526292E-03 3.880898E+02 3.982749E+03 -4.015344E-03 3.882884E+02 3.956270E+03 -1.483384E-02 3.884870E+02 4.009273E+03 1.788187E-02 3.886855E+02 4.006411E+03 2.001504E-02 3.888841E+02 3.980786E+03 9.626587E-03 3.890827E+02 3.978950E+03 1.230248E-02 3.892813E+02 3.974020E+03 1.327043E-02 3.894798E+02 3.949284E+03 3.289001E-03 3.896784E+02 3.936857E+03 8.075911E-05 3.898770E+02 3.947348E+03 9.556771E-03 3.900755E+02 3.894529E+03 -1.609445E-02 3.902741E+02 3.876500E+03 -2.248866E-02 3.904727E+02 3.896189E+03 -7.904280E-03 3.906713E+02 3.911340E+03 4.185772E-03 3.908698E+02 3.884305E+03 -7.263465E-03 3.910684E+02 3.894290E+03 1.958027E-03 3.913166E+02 3.891304E+03 4.843249E-03 3.915152E+02 3.886888E+03 6.010565E-03 3.917137E+02 3.886771E+03 9.592232E-03 3.919123E+02 3.858346E+03 -2.768944E-03 3.921109E+02 3.834066E+03 -1.283908E-02 3.923095E+02 3.858094E+03 4.348186E-03 3.925080E+02 3.817159E+03 -1.518398E-02 3.927066E+02 3.832915E+03 -2.651940E-03 3.929052E+02 3.829345E+03 -1.059907E-03 3.931038E+02 3.837215E+03 7.033509E-03 3.933023E+02 3.865104E+03 -2.290312E-03 3.935009E+02 3.829070E+03 9.647653E-03 3.936995E+02 3.871570E+03 1.669856E-03 3.938980E+02 3.818237E+03 1.070824E-02 3.940966E+02 3.794941E+03 9.835300E-04 3.942952E+02 3.815884E+03 1.660917E-02 3.944937E+02 3.759017E+03 -1.244995E-02 3.946923E+02 3.751597E+03 -1.314035E-02 3.948909E+02 3.740981E+03 -1.568439E-02 3.950895E+02 3.759321E+03 -1.522320E-03 3.952880E+02 3.766600E+03 6.277316E-03 3.954866E+02 3.770577E+03 1.218169E-02 3.956852E+02 3.745505E+03 1.241904E-03 3.958838E+02 3.752626E+03 8.967349E-03 3.960823E+02 3.741628E+03 6.163355E-03 3.962809E+02 3.732945E+03 4.691581E-03 3.964795E+02 3.692282E+03 -1.546047E-02 3.966780E+02 3.713945E+03 7.568125E-04 3.968766E+02 3.694145E+03 -7.263322E-03 3.970752E+02 3.677234E+03 -1.362265E-02 3.972737E+02 3.707372E+03 7.627144E-03 3.974723E+02 3.693564E+03 3.082014E-03 3.976709E+02 3.698824E+03 9.749236E-03 3.978695E+02 3.653258E+03 -1.356339E-02 3.981177E+02 3.654175E+03 -8.599528E-03 3.983163E+02 3.675493E+03 7.566175E-03 3.985148E+02 3.661909E+03 3.075188E-03 3.987134E+02 3.666105E+03 9.121934E-03 3.988016E+02 3.665053E+03 1.007982E-02 3.989009E+02 3.626807E+03 -1.088945E-02 3.990002E+02 3.651137E+03 5.357457E-03 3.990995E+02 3.655510E+03 9.739379E-03 3.991988E+02 3.639647E+03 2.060276E-03 3.992981E+02 3.620336E+03 -7.689512E-03 3.993973E+02 3.627656E+03 -1.554349E-03 3.994966E+02 3.622209E+03 -3.041280E-03 3.995959E+02 3.628562E+03 2.525181E-03 3.996952E+02 3.640969E+03 1.172036E-02 3.997945E+02 3.654485E+03 2.159249E-02 3.998938E+02 3.628499E+03 7.800369E-03 4.000167E+02 3.626157E+03 8.589768E-03 4.003196E+02 3.632801E+03 1.799522E-02 4.005965E+02 3.670164E+03 4.547197E-02 4.006461E+02 3.728115E+03 8.130921E-02 4.007454E+02 3.727763E+03 8.292059E-02 4.007951E+02 3.799379E+03 1.270594E-01 4.008943E+02 3.947075E+03 2.181326E-01 4.009937E+02 4.142612E+03 3.382644E-01 4.010433E+02 4.233179E+03 3.940428E-01 4.011426E+02 4.469430E+03 5.390826E-01 4.011922E+02 4.434744E+03 5.191683E-01 4.012915E+02 4.597088E+03 6.196868E-01 4.013908E+02 4.756296E+03 7.184542E-01 4.014404E+02 4.763959E+03 7.242557E-01 4.015397E+02 4.773110E+03 7.321211E-01 4.015894E+02 4.708391E+03 6.939747E-01 4.016887E+02 4.741273E+03 7.162449E-01 4.017879E+02 4.595208E+03 6.297086E-01 4.018376E+02 4.616457E+03 6.437548E-01 4.019369E+02 4.584685E+03 6.266538E-01 4.020362E+02 4.241950E+03 4.200342E-01 4.020858E+02 4.300995E+03 4.570642E-01 4.021851E+02 4.195682E+03 3.949181E-01 4.022347E+02 4.261458E+03 4.360876E-01 4.023340E+02 4.265668E+03 4.407439E-01 4.024333E+02 4.410162E+03 5.311494E-01 4.024829E+02 4.540425E+03 6.118785E-01 4.025822E+02 4.812293E+03 7.804577E-01 4.026319E+02 4.859289E+03 8.103988E-01 4.027311E+02 4.900064E+03 8.377448E-01 4.028304E+02 4.865289E+03 8.188118E-01 4.028801E+02 5.014457E+03 9.114850E-01 4.029794E+02 4.983100E+03 8.946804E-01 4.030786E+02 5.164137E+03 1.008312E+00 4.031283E+02 5.469974E+03 1.197502E+00 4.032276E+02 5.767859E+03 1.383345E+00 4.032772E+02 6.233547E+03 1.671230E+00 4.033765E+02 6.568893E+03 1.880703E+00 4.034758E+02 7.298629E+03 2.333486E+00 4.035254E+02 7.580078E+03 2.508717E+00 4.036247E+02 8.019727E+03 2.783553E+00 4.036744E+02 8.162343E+03 2.873486E+00 4.037737E+02 8.265994E+03 2.941417E+00 4.038729E+02 8.050365E+03 2.812133E+00 4.039226E+02 7.716384E+03 2.607593E+00 4.040219E+02 7.259738E+03 2.328786E+00 4.040715E+02 6.942268E+03 2.134047E+00 4.041708E+02 6.520223E+03 1.875991E+00 4.042701E+02 5.923913E+03 1.509517E+00 4.043197E+02 5.827702E+03 1.451298E+00 4.044190E+02 5.518487E+03 1.262246E+00 4.045183E+02 5.150368E+03 1.036321E+00 4.045679E+02 4.831196E+03 8.392875E-01 4.046672E+02 4.822235E+03 8.360900E-01 4.047169E+02 4.702449E+03 7.627701E-01 4.048162E+02 4.676817E+03 7.491311E-01 4.049154E+02 4.603999E+03 7.060738E-01 4.049651E+02 4.412698E+03 5.879974E-01 4.050644E+02 4.352060E+03 5.523620E-01 4.051140E+02 4.314826E+03 5.302098E-01 4.052729E+02 4.291002E+03 5.187474E-01 4.054041E+02 4.290142E+03 5.210214E-01 4.055034E+02 4.288314E+03 5.220054E-01 4.056027E+02 4.281894E+03 5.201128E-01 4.057020E+02 4.243470E+03 4.981590E-01 4.058013E+02 4.255474E+03 5.077956E-01 4.059005E+02 4.275474E+03 5.224627E-01 4.059998E+02 4.258315E+03 5.138111E-01 4.060991E+02 4.271421E+03 5.241670E-01 4.061984E+02 4.317891E+03 5.555233E-01 4.062977E+02 4.316811E+03 5.569921E-01 4.063970E+02 4.326773E+03 5.654171E-01 4.064963E+02 4.348561E+03 5.813079E-01 4.065956E+02 4.350376E+03 5.846189E-01 4.066948E+02 4.392721E+03 6.135232E-01 4.067941E+02 4.429205E+03 6.387659E-01 4.068934E+02 4.447888E+03 6.527870E-01 4.069927E+02 4.429442E+03 6.433312E-01 4.070920E+02 4.422494E+03 6.411391E-01 4.071913E+02 4.467925E+03 6.721397E-01 4.072906E+02 4.510261E+03 7.012216E-01 4.073898E+02 4.531055E+03 7.166706E-01 4.074891E+02 4.536677E+03 7.225042E-01 4.075884E+02 4.566192E+03 7.435319E-01 4.076877E+02 4.599883E+03 7.672455E-01 4.077870E+02 4.611679E+03 7.770528E-01 4.078863E+02 4.647049E+03 8.018924E-01 4.079856E+02 4.637841E+03 7.983435E-01 4.080848E+02 4.622478E+03 7.908586E-01 4.081841E+02 4.661796E+03 8.182783E-01 4.082834E+02 4.668623E+03 8.249733E-01 4.083827E+02 4.675843E+03 8.319272E-01 4.084820E+02 4.701992E+03 8.510033E-01 4.085813E+02 4.711170E+03 8.592368E-01 4.086805E+02 4.732263E+03 8.751166E-01 4.087798E+02 4.739904E+03 8.823894E-01 4.088791E+02 4.759382E+03 8.972690E-01 4.091770E+02 4.782933E+03 9.195827E-01 4.092763E+02 4.778437E+03 9.190894E-01 4.093755E+02 4.791776E+03 9.300840E-01 4.094748E+02 4.791870E+03 9.325516E-01 4.095741E+02 4.802391E+03 9.417492E-01 4.096734E+02 4.827373E+03 9.602968E-01 4.098688E+02 4.886176E+03 1.003105E+00 4.101170E+02 4.856726E+03 9.901711E-01 4.103156E+02 4.893534E+03 1.018951E+00 4.105141E+02 4.948431E+03 1.059562E+00 4.107127E+02 5.017856E+03 1.109741E+00 4.109113E+02 5.064376E+03 1.145128E+00 4.111099E+02 5.066514E+03 1.151638E+00 4.113084E+02 5.103277E+03 1.180793E+00 4.115070E+02 5.176808E+03 1.234099E+00 4.117056E+02 5.232030E+03 1.275547E+00 4.119041E+02 5.278490E+03 1.311354E+00 4.121027E+02 5.302084E+03 1.332217E+00 4.123013E+02 5.315543E+03 1.346456E+00 4.124998E+02 5.374319E+03 1.390619E+00 4.126984E+02 5.363242E+03 1.388756E+00 4.128970E+02 5.313209E+03 1.361102E+00 4.130956E+02 5.340784E+03 1.384778E+00 4.132941E+02 5.316754E+03 1.374268E+00 4.134927E+02 5.299537E+03 1.368245E+00 4.136913E+02 5.252522E+03 1.342360E+00 4.138899E+02 5.260001E+03 1.352709E+00 4.140884E+02 5.176003E+03 1.302015E+00 4.142870E+02 5.105748E+03 1.260348E+00 4.144856E+02 5.001990E+03 1.196117E+00 4.146841E+02 4.944873E+03 1.162956E+00 4.148827E+02 4.921597E+03 1.152410E+00 4.150813E+02 4.910944E+03 1.150311E+00 4.152798E+02 4.863595E+03 1.123482E+00 4.154784E+02 4.746252E+03 1.049356E+00 4.156770E+02 4.710263E+03 1.029951E+00 4.158756E+02 4.708498E+03 1.033629E+00 4.160741E+02 4.673880E+03 1.015051E+00 4.162727E+02 4.584554E+03 9.592938E-01 4.164713E+02 4.513548E+03 9.158093E-01 4.166699E+02 4.504159E+03 9.141128E-01 4.168684E+02 4.524264E+03 9.325007E-01 4.171166E+02 4.517246E+03 9.335988E-01 4.173152E+02 4.465197E+03 9.027230E-01 4.175138E+02 4.474563E+03 9.137973E-01 4.177123E+02 4.449298E+03 9.011477E-01 4.179109E+02 4.374045E+03 8.541241E-01 4.181095E+02 4.391385E+03 8.706312E-01 4.183081E+02 4.401036E+03 8.818813E-01 4.185067E+02 4.394943E+03 8.822962E-01 4.187052E+02 4.325000E+03 8.385969E-01 4.189038E+02 4.322804E+03 8.416261E-01 4.191024E+02 4.312719E+03 8.391901E-01 4.193009E+02 4.264480E+03 8.102660E-01 4.194995E+02 4.245200E+03 8.013679E-01 4.196981E+02 4.212783E+03 7.832945E-01 4.198966E+02 4.197085E+03 7.768099E-01 4.200952E+02 4.203376E+03 7.856421E-01 4.202938E+02 4.175018E+03 7.702754E-01 4.204923E+02 4.158465E+03 7.631166E-01 4.206909E+02 4.113250E+03 7.358384E-01 4.208895E+02 4.121243E+03 7.458211E-01 4.210881E+02 4.071775E+03 7.154309E-01 4.212867E+02 4.046045E+03 7.016535E-01 4.214852E+02 4.007778E+03 6.789886E-01 4.216838E+02 4.003954E+03 6.805670E-01 4.218656E+02 3.967127E+03 6.584488E-01 4.221138E+02 3.948682E+03 6.506902E-01 4.223620E+02 3.924340E+03 6.387053E-01 4.226103E+02 3.926202E+03 6.452903E-01 4.228585E+02 3.938394E+03 6.592416E-01 4.231067E+02 3.874603E+03 6.190229E-01 4.233549E+02 3.826565E+03 5.899037E-01 4.236031E+02 3.858395E+03 6.178511E-01 4.238513E+02 3.823164E+03 5.977839E-01 4.240995E+02 3.828412E+03 6.067194E-01 4.243477E+02 3.799791E+03 5.912910E-01 4.245960E+02 3.808452E+03 6.026823E-01 4.248442E+02 3.788476E+03 5.934104E-01 4.250924E+02 3.781929E+03 5.938123E-01 4.253406E+02 3.781781E+03 5.988420E-01 4.255888E+02 3.779788E+03 6.025367E-01 4.258370E+02 3.755193E+03 5.897835E-01 4.260852E+02 3.720773E+03 5.698091E-01 4.263335E+02 3.707795E+03 5.654097E-01 4.265817E+02 3.694457E+03 5.607176E-01 4.268795E+02 3.731844E+03 5.941981E-01 4.271277E+02 3.705334E+03 5.798356E-01 4.273760E+02 3.684425E+03 5.695305E-01 4.276242E+02 3.674279E+03 5.671099E-01 4.278724E+02 3.627301E+03 5.374674E-01 4.281206E+02 3.620768E+03 5.376274E-01 4.283688E+02 3.605545E+03 5.313355E-01 4.286170E+02 3.639868E+03 5.617945E-01 4.288653E+02 3.621432E+03 5.531082E-01 4.291135E+02 3.605570E+03 5.462955E-01 4.293617E+02 3.577980E+03 5.306917E-01 4.296099E+02 3.575214E+03 5.335826E-01 4.298581E+02 3.577776E+03 5.404628E-01 4.301063E+02 3.588577E+03 5.535386E-01 4.303545E+02 3.574720E+03 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