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

* xyz 1 1
  C           0.08522651828161     -3.04514493183539      0.00163017231358
  C           1.10929515402392     -2.46840552630868      0.83330352418429
  C           1.47763122647915     -1.18079034992614      0.66343934410006
  C           0.87879454618665     -0.33534423746521     -0.33915754733536
  C          -0.14856280155300     -0.92613789860834     -1.15947902703692
  C          -0.53001660957512     -2.21107371214692     -1.00213252631463
  H           1.58581653369265     -3.06556082877466      1.59624834200072
  H           2.24980196412265     -0.75624047699526      1.29621735417591
  H          -0.62946069996875     -0.32680204021387     -1.92201885406936
  H          -1.30382995287566     -2.61786553968047     -1.63602387178294
  C           1.29849739703119      0.95234162402768     -0.46403949787640
  H           2.07545760833629      1.28572363178593      0.22155649549379
  H           1.64062409573181      2.43391486243181     -1.91948342213749
  H           0.09078177198448      1.61361843195974     -2.12091278868370
  C           0.13747312624479      3.08065476294757     -0.52775591104274
  C          -1.09482166999994      2.83144116491099      0.07100784109051
  C           0.77102344636626      4.29928360395930     -0.31085462492995
  C          -1.69580588124587      3.79779548029193      0.86495784457130
  H          -1.59343191638206      1.87982406405509     -0.08974864331817
  C           0.17117340715135      5.26607384253198      0.48620721589700
  H           1.73020420406085      4.50200057259571     -0.77663836107812
  C          -1.06188915064738      5.01681939703572      1.07438691692945
  H          -2.66004469799422      3.60114200761480      1.31950696656832
  H           0.66602946413312      6.21767345514487      0.64253548195155
  H          -1.53079372260846      5.77298499609558      1.69329302380708
  C           0.79047843634880      2.00336978070004     -1.38269256087193
  N          -0.28359094848722     -4.30638060348701      0.15290127225618
  C           0.33897862298249     -5.15690177660574      1.17561625350771
  C          -1.32564177831121     -4.89827488713249     -0.69619154358639
  H          -0.11027335045408     -6.14432990307953      1.12944463482832
  H           1.41079930257018     -5.25371275419225      0.99445278545850
  H           0.17102546616860     -4.74505546211966      2.17213926818779
  H          -1.46160167374592     -5.93653707756636     -0.40897339904862
  H          -2.27379177658051     -4.37437147614309     -0.56373496838786
  H          -1.03100582146747     -4.86470702580768     -1.74634035982148
*

