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

* xyz 1 1
  C           0.04032072556083     -2.96110501967281      0.25614275719740
  C           1.20218659917878     -2.80648555435061     -0.47953952195868
  C           1.83729663309343     -1.57416065596601     -0.46142360221543
  C           1.31167376040336     -0.53009713536723      0.29561842013666
  C           0.13235020346436     -0.70919815999221      1.01494780787146
  C          -0.50921060225070     -1.93800386736181      1.00779991843868
  H           1.59408956766213     -3.64069283337828     -1.04574207368716
  H           2.75597302780339     -1.43694159097743     -1.02139566021523
  H          -0.28448883188764      0.10600758484585      1.59707359157441
  H          -1.41818052221259     -2.11167237761045      1.56764479443383
  C           2.00064282212491      0.83817584330882      0.31078035384810
  H           2.01065491545353      1.26843414619561      1.30926716112826
  H           3.02621782937457      0.73293613357593     -0.04974308397044
  H           1.31241290368346      1.28257547537993     -1.69674512308146
  C           0.29118473728491      2.61832987366412     -0.41985041076611
  C          -0.43958794247770      3.13701626402638     -1.52728426644054
  C           0.06719151436686      3.15957453324843      0.87895588230917
  C          -1.35296292359031      4.14710698604547     -1.34418679562735
  H          -0.26514013026351      2.72145909318224     -2.51399175889388
  C          -0.84655388552344      4.16731255148207      1.04928675440271
  H           0.62121834655102      2.78195307978775      1.72880974008638
  C          -1.55226050105588      4.65590756706390     -0.05917233926885
  H          -1.91232444947164      4.54580602834571     -2.18107850823837
  H          -1.02391264033972      4.58974000879455      2.03044688686849
  H          -2.27258448069597      5.45428114527817      0.08681985282253
  C           1.20673733553881      1.60608798551213     -0.66220436328617
  N          -0.64706345946460     -4.27740967804324      0.23605422802602
  O          -0.13941432913739     -5.15304088243834     -0.42952117701833
  O          -1.66612976317327     -4.37507500457868      0.88486705552388
*

