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

* xyz 1 1
  C           0.29285908393030     -1.90787237792270      0.10890334918588
  C           1.51940829282061     -1.57130575185410     -0.57308781181531
  C           2.01522147224351     -0.32154723509653     -0.49611246086967
  C           1.35447443721875      0.72860377389944      0.24533493164526
  C           0.12144913987990      0.37029800234681      0.90988059175931
  C          -0.38486801921806     -0.87616581853345      0.85625186025001
  H           2.04906127699208     -2.33136446125885     -1.12916225097655
  H           2.94635119872001     -0.08292469859613     -1.00088240059676
  H          -0.41212893078109      1.14538929290238      1.44875462382050
  H          -1.31728472114550     -1.10204336146966      1.35334934720880
  C           2.23616252450572      1.82686559029703      0.89060340457392
  H           1.88354872098706      2.17229918772871      1.85345819446434
  H           3.30311947160759      1.65941006996697      0.82458050923181
  H           2.04993744085705      2.21084281025193     -1.23863766337283
  C           0.28985907577867      3.08306984225714     -0.28148131854739
  C          -0.67019745342661      2.95725431452916     -1.28510028861837
  C           0.11652617220096      4.03931388930011      0.71277951978937
  C          -1.79364724098669      3.76834445779982     -1.28589730513260
  H          -0.53462122540057      2.21764834343157     -2.06840132056314
  C          -1.01031008992814      4.85468957808162      0.71147505346618
  H           0.86894694813059      4.16875845895387      1.48286622971087
  C          -1.96698651745538      4.71804501895960     -0.28361285001240
  H          -2.53445853306639      3.66510162451321     -2.07044654149851
  H          -1.13357254486813      5.60261578896952      1.48624746924703
  H          -2.84363532727588      5.35541212702498     -0.28553351756820
  C           1.49044761475333      2.19631568244285     -0.30948077952846
  N          -0.19795624934386     -3.12488831762293      0.04606119778152
  C          -1.40351352181743     -3.57827571728231      0.77380422852289
  C           0.38366086353705     -4.22052072924208     -0.76007485552216
  H          -1.35859898576656     -3.25349806817915      1.81304464631432
  H          -2.29093863423785     -3.14605696377101      0.30281919938348
  C          -1.36506722725424     -5.09661338741150      0.62208331097246
  H           0.61212802551843     -3.86658944149996     -1.76515269196827
  H           1.30623539845015     -4.56528331382950     -0.28460296407076
  C          -0.69929807555537     -5.29589515142261     -0.73976318689425
  H          -0.75181247327193     -5.53462147507545      1.41326231890034
  H          -2.36074675566817     -5.53415009554282      0.68189611653132
  H          -1.41689814766242     -5.11731016663150     -1.54419042356170
  H          -0.28127348400150     -6.29297032141446     -0.87205447164227
*

