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

* xyz 1 1
  C          -1.03260920735555     -3.66921584745841      0.54092896124987
  C          -0.27181064425179     -3.73837875415748     -0.62157021727504
  C           0.63253975797732     -2.73079701152035     -0.91879539889927
  C           0.78970198697811     -1.65945279959634     -0.03998067919580
  C           0.00624522961894     -1.57771317123388      1.10959821412254
  C          -0.89277919593969     -2.59077786447359      1.40691412812605
  H          -1.73777008369974     -4.45910353918101      0.77213179566449
  H          -0.37899875714046     -4.58214363140611     -1.29285863474787
  H           1.23765549144511     -2.79145267250439     -1.81773372695884
  H           0.10929619016836     -0.73209715477571      1.78201512120929
  H          -1.48580658324182     -2.53845122392519      2.31224719339530
  C           1.79532268470925     -0.54187838371746     -0.36102415862279
  H           2.27270059220715     -0.15474825904390      0.53487706871643
  H           2.54556242475929     -0.90886557014035     -1.06129088503533
  H           0.52672222760542      0.08001701973821     -1.99847184547953
  C           0.27779458864465      1.53375377924157     -0.47697762445823
  C          -0.72313799209981      2.18722208291234     -1.24189327427725
  C           0.66909408976403      2.08233829365429      0.77259600778452
  C          -1.31215291334794      3.34021231442222     -0.77508083272183
  H          -1.01783517132005      1.76445278342436     -2.19638585405022
  C           0.07638657290452      3.23378946107683      1.22901737302915
  H           1.44036411860497      1.60181459606891      1.36087590864353
  C          -0.91121397552453      3.85703524604647      0.45679375072991
  H          -2.07648030157130      3.84259432139574     -1.35454148153347
  H           0.37131309392254      3.66419832638180      2.17793304552701
  H          -1.37291803956241      4.76706137343146      0.82517568011878
  C           0.86090665574539      0.38134967533996     -1.00743883506141
*

