#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000

* xyz 1 1
  C          -0.08231980994355     -2.53400371620911      0.04014075130436
  C           1.18552000159504     -2.30594267923070     -0.60736706998212
  C           1.80996148032197     -1.11770386737808     -0.47968009828086
  C           1.25239751941629     -0.03118450036317      0.28785834021465
  C          -0.02155313860184     -0.27726812936221      0.91893433159184
  C          -0.65869810232289     -1.46016389130160      0.81010951541473
  H           1.64204842169890     -3.08905662219405     -1.19392481522588
  H           2.76744214560920     -0.96270053995530     -0.96742491288380
  H          -0.47843061592276      0.52884245208187      1.48218790167250
  H          -1.61290246717651     -1.59709220791622      1.29642196174809
  C           2.23255795475448      0.95328532519218      0.97868910828283
  H           1.90046643321751      1.30035538393643      1.94815676143004
  H           3.27654655184038      0.67456016858626      0.92256886676846
  H           2.12528216167716      1.41630299512093     -1.13823167948217
  C           0.44820263492124      2.43927138957909     -0.18180236563835
  C          -0.47842265525384      2.46154359611855     -1.22381967147372
  C           0.33078588403283      3.35663286893350      0.85658272882722
  C          -1.51596831025898      3.37983419384884     -1.21919590841988
  H          -0.38452708929715      1.75337175501974     -2.04148261778412
  C          -0.70980796828777      4.27935784974434      0.86063092428362
  H           1.06165566951267      3.37253687313168      1.65741887857590
  C          -1.63511677783747      4.28949726731877     -0.17283640661060
  H          -2.23116943835008      3.39171466768673     -2.03359171322367
  H          -0.78943802034905      4.99613416295634      1.66975858406360
  H          -2.44410066822097      5.01078064231388     -0.17025990770152
  C           1.55298728144281      1.43706777565000     -0.21711983594843
  N          -0.70273428484049     -3.69599765461830     -0.07384761804841
  C          -1.98913389588821     -3.93429622459055      0.59370933855081
  C          -0.12481367091683     -4.78687130677254     -0.86947071789950
  H          -2.30634510016048     -4.95201401090791      0.38702020525833
  H          -1.88946092796640     -3.81465122055733      1.67365392642817
  H          -2.75094788726288     -3.24927565236278      0.21751029072182
  H          -0.80202321521187     -5.63521877234873     -0.84283392016847
  H           0.00364562329663     -4.47866935562181     -1.90829910328764
  H           0.83692052073293     -5.09658093552870     -0.45686632307782
*

