#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm18Frz.gbw" end

* xyz 1 1
  C          -0.09310080203194     -2.93847192982308      0.05524684096580
  C           1.24458398331366     -2.72278930503986     -0.35265028458311
  C           1.83818158872483     -1.48909417108333     -0.20408535422003
  C           1.15223235184993     -0.41962943604929      0.37472443712601
  C          -0.17947261388703     -0.61110223318168      0.74528805350914
  C          -0.79150132970651     -1.83889909452348      0.60705497213685
  H           1.82332446055040     -3.53125937669362     -0.77597518669349
  H           2.86990412621374     -1.36272836292562     -0.51738196188895
  H          -0.74905444519963      0.20989133484929      1.17149566232272
  H          -1.81708527797301     -1.94980157357111      0.92872535818910
  C           1.82051776013791      0.93206106066330      0.54616654677578
  H           1.69502629707160      1.31128602345906      1.56015218074447
  H           2.89397849298887      0.81246854165591      0.37017543491620
  H           1.58381114893085      1.62884475310454     -1.49090263224810
  C           0.38428740794463      2.89235472922315     -0.28830978927908
  C          -0.04732039632170      3.60754754578205     -1.43740164935869
  C          -0.09790495538611      3.27684496179308      0.99162931802190
  C          -0.91760930253256      4.66531752762733     -1.31186715582911
  H           0.32107892444822      3.30808882652360     -2.41266072895398
  C          -0.97021155561330      4.33161693465744      1.10539732567345
  H           0.21973135403822      2.73871113314821      1.87531879663114
  C          -1.37535743028873      5.02186048110177     -0.04267312080655
  H          -1.24719689267258      5.21541049647213     -2.18432419886281
  H          -1.34369992771413      4.63266637825003      2.07626490956192
  H          -2.06307674355978      5.85497034552431      0.05759401447353
  C           1.28733240975266      1.84539817632233     -0.46557902089173
  N          -0.68309815180612     -4.15515231919934     -0.07805902784158
  C          -2.05480857487923     -4.35384373330608      0.35866574130846
  C           0.05066084806928     -5.26492740971902     -0.66454471576374
  H          -2.33256301970924     -5.39214003804209      0.19369153908391
  H          -2.16818160072365     -4.13820235353145      1.42575513604352
  H          -2.75108461065156     -3.72210006005181     -0.20265683332808
  H          -0.59307809305708     -6.14092270504667     -0.68935958569833
  H           0.36065057463914     -5.04234590322125     -1.69042470908600
  H           0.93920053503996     -5.51320275514874     -0.07544851215054
*

