#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm7Frz.gbw" end

* xyz 1 1
  C          -0.18255049869436     -3.39846472069033     -0.04066267437550
  C           1.09733243877302     -3.18839778119453     -0.55825698536697
  C           1.72240411914383     -1.95801564203670     -0.44158502668658
  C           1.07898749802741     -0.90834767489773      0.20594857542956
  C          -0.21207459805421     -1.09371795643926      0.69642745080821
  C          -0.83140891327512     -2.32610310570349      0.57910628029633
  H           1.61396438783586     -4.00703256970795     -1.04735947770006
  H           2.72390493634449     -1.82306741681067     -0.83706855201912
  H          -0.73632647086058     -0.27527587216701      1.18112866025625
  H          -1.83767243232871     -2.45229483114372      0.95960585304349
  C           1.76517988923910      0.44611038143974      0.34008831088927
  H           1.72891354638067      0.80401058500004      1.36799787967160
  H           2.81683808623962      0.33028148876300      0.05873072255460
  H           1.30817453393175      1.14180300179141     -1.65971446651370
  C           0.33127012973803      2.46932677978827     -0.33924378022832
  C          -0.19973797196954      3.19664671955274     -1.44203151390127
  C           0.01880347819634      2.88556272079795      0.98601776713739
  C          -1.00208068316004      4.29192039250608     -1.22953777787167
  H           0.03932809847686      2.87293869692460     -2.44932992008617
  C          -0.78597900010295      3.97830761508893      1.18589575429343
  H           0.41413689398168      2.34088497420165      1.83361266414009
  C          -1.29108361877839      4.67653036498543      0.08129189678653
  H          -1.40791790508069      4.85069725758058     -2.06339984414971
  H          -1.03109054407948      4.30505167934785      2.18875124278121
  H          -1.92524961190925      5.54064836507092      0.25050341840241
  C           1.14520604461951      1.37819535446918     -0.60879583604247
  C          -0.80200849562560     -4.73202592231003     -0.16739824562080
  C          -1.82196320157784     -5.17939783693328      0.55641480732973
  H          -0.34725468867509     -5.38820055898500     -0.90456673676428
  H          -2.21316579424454     -6.17825010388696      0.40564737934288
  H          -2.29243506251184     -4.58279421440168      1.33053267416361
*

