#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm22Frz.gbw" end

* xyz 1 1
  C           0.28957400221092     -2.24359589074192      0.08186114067101
  C           1.52069103540100     -1.93048371230547     -0.54298804937223
  C           2.02067777353796     -0.64888789459110     -0.50878931102075
  C           1.34695728143129      0.37405725132211      0.16422800960900
  C           0.11232721395188      0.08267541954426      0.74937961258964
  C          -0.40572288763415     -1.19396305824265      0.72767673519563
  H           2.09102144510502     -2.70744681495397     -1.03351750633280
  H           2.97472764348629     -0.44389593102841     -0.98466994564670
  H          -0.45010042824081      0.86611902378005      1.24940251202133
  H          -1.35781886738426     -1.38788976186431      1.20250052032073
  C           1.91475757839172      1.77970057837471      0.20845803840873
  H           1.92563362037871      2.17316248149239      1.22489113882893
  H           2.95129655840269      1.74497434701258     -0.14078566228535
  H           1.29022105403321      2.40571537656557     -1.76850345221358
  C           0.19357513723347      3.58883591596253     -0.39604552570319
  C          -0.47996596205142      4.23849922211782     -1.46429287743177
  C          -0.10508066021514      3.96051239422027      0.94186097883867
  C          -1.40613511722128      5.22269331541815     -1.20681728456303
  H          -0.25123627185394      3.94860518931744     -2.48417966773029
  C          -1.03500144040394      4.94128774330768      1.18827913600452
  H           0.39726117289462      3.47117888927322      1.76621711298849
  C          -1.67995347121754      5.56908846637763      0.11692308975114
  H          -1.91964210556901      5.72302365073542     -2.01824836226035
  H          -1.26943863134546      5.23193856009980      2.20480331529574
  H          -2.41117691172995      6.34397244010269      0.32157631817461
  C           1.14658329688621      2.61976321267470     -0.71044163879459
  N          -0.20265008300250     -3.50072710073501      0.06134034110188
  C          -1.40396972150500     -3.91597216488824      0.78473701647601
  C           0.42310200535120     -4.60759713449287     -0.66249096175401
  H          -1.38455064818440     -3.54312207782603      1.81186953076908
  H          -2.30426392975664     -3.52564932662159      0.29438943633920
  C          -1.34761859107432     -5.44212698397416      0.72143076939801
  H           0.65960647742350     -4.31515810745479     -1.68850311042891
  H           1.35369944195455     -4.91310376355563     -0.16882441654058
  C          -0.63184658901439     -5.71170463308815     -0.60374919781096
  H          -0.75254156040899     -5.82438436917038      1.55473331050105
  H          -2.33779465691459     -5.89439956450959      0.77513118234993
  H          -1.32972055955359     -5.60132772361590     -1.43778892520454
  H          -0.19065004379293     -6.70672515403885     -0.65933168053967
*

