#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm8Frz.gbw" end

* xyz 1 1
  C          -0.28435168734555     -3.48025088260215      0.10874885257792
  C           0.96145037576593     -3.31898592806362     -0.50235011691770
  C           1.60602532111259     -2.09491212417879     -0.45684382799138
  C           1.02391418846856     -1.02078433320418      0.21061393635838
  C          -0.22537545715137     -1.17162615459817      0.80645194831541
  C          -0.87262729260560     -2.39564794013537      0.76458598225292
  H           1.42015127595721     -4.16115532143154     -1.00563603016103
  H           2.57819343350245     -1.98352846663573     -0.92548574427355
  H          -0.69212551020915     -0.33752626782799      1.32163764348987
  H          -1.83784327119757     -2.52209356904968      1.23925446928618
  C           1.73940514542289      0.32429819670878      0.26632414854613
  H           1.78750121061647      0.70006603704768      1.28716577595144
  H           2.76459028140210      0.18779383731782     -0.09337975499744
  H           1.12431830412552      0.98136676348557     -1.70483959243548
  C           0.31175003207952      2.37482068368811     -0.34309498572862
  C          -0.29379744752151      3.08947868406989     -1.41642722316652
  C           0.13268757476298      2.83808592746528      0.99211154208697
  C          -1.03959935794799      4.21600472421158     -1.16666009723182
  H          -0.15630818653287      2.73041828260631     -2.43072143249924
  C          -0.61599768120721      3.96231550331206      1.22918969159206
  H           0.58560982464084      2.30436280598582      1.81758560942373
  C          -1.19693197203608      4.64600229184962      0.15269264057587
  H          -1.50172829712475      4.76491247573770     -1.97745339724680
  H          -0.75953231020193      4.32510324487667      2.23930016836800
  H          -1.78633117467649      5.53522547386438      0.35135416067336
  C           1.06241496071302      1.25073153642986     -0.65099281781016
  C          -0.95471798922556     -4.74926612440756      0.06461538103674
  C          -1.51427448746697     -5.80801903757281      0.02625997721958
  H          -2.01003261611946     -6.75212628894952     -0.00580682729479
*

