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

* xyz 1 1
  C          -0.28978831569525     -3.18597157669091      0.20925626605103
  C           0.31457989639530     -2.60531433875320      1.32748369065898
  C           0.90988909228906     -1.36976102199330      1.19703258012909
  C           0.90434789090594     -0.69910435932413     -0.04582222232490
  C           0.29292096015259     -1.30978776240271     -1.16445335464207
  C          -0.29810508817676     -2.54379092729203     -1.03780590287851
  H           0.30995226317547     -3.12745352940572      2.27575626260707
  H           1.38355232874550     -0.90262744796820      2.05346332076468
  H           0.29827663642042     -0.81935007992195     -2.12941238720809
  H          -0.76447900686433     -3.02889006260216     -1.88594244553867
  C           1.55309451867832      0.55268853806962     -0.12651751456276
  H           2.08485235840527      0.87943780406985      0.76410564704396
  H           2.45138705813907      2.06876926948350     -1.33243825669053
  H           1.18571672393879      1.11998683801408     -2.18078423850886
  C           0.44941886661139      2.36986950969811     -0.53077369183628
  C          -0.90437643402585      2.08704069899592     -0.72344205766539
  C           0.83624754280845      3.41574254662427      0.31226401158186
  C          -1.86532931921759      2.88869811156567     -0.13116601319937
  H          -1.20496352541971      1.25393478519139     -1.34984745960436
  C          -0.12891317574028      4.20948570060094      0.90892290258515
  H           1.88918895512790      3.62546417905327      0.47154836144196
  C          -1.47734356532954      3.94703992398908      0.68535425797895
  H          -2.91645544308082      2.68842290000718     -0.30053472897904
  H           0.16757437184244      5.03576220776322      1.54376368262877
  H          -2.23122146187183      4.56928543633264      1.15364485199031
  C           1.52560337092312      1.50745503372922     -1.22544863253305
  C          -0.91518985832928     -4.47633912993758      0.33602055956649
  N          -1.41746468080781     -5.50485076689608      0.43550529114359
*

