#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm9Frz.gbw" end

* xyz 1 1
  C          -0.27889413116513     -3.51477903096849      0.05122829517878
  C           1.01597829644443     -3.34340557922404     -0.43429957588087
  C           1.63914241566235     -2.11393145348464     -0.29878692239018
  C           0.98037132130597     -1.05995212542652      0.32777867008320
  C          -0.31763361757988     -1.23175398579658      0.80032673003859
  C          -0.94736755005549     -2.45921552187132      0.67034413706570
  H           1.52778966517292     -4.17195035474286     -0.90811148037924
  H           2.65125386912168     -1.98407446617383     -0.66649833538342
  H          -0.83849632770516     -0.41300705734106      1.28657368756706
  H          -1.95266491694286     -2.60646440887110      1.04531263078433
  C           1.67302627543584      0.29031725152073      0.47989450630012
  H           1.59732674970530      0.65418780344259      1.50308383697442
  H           2.73470814012257      0.16864165532148      0.23975515013332
  H           1.25772601271745      0.94538494950399     -1.54558550467671
  C           0.34960049990129      2.36366961211176     -0.27641218769800
  C          -0.13508169428416      3.08249114126571     -1.40931537513599
  C           0.05201563452367      2.84324944329673      1.03358898454027
  C          -0.87805925532639      4.22491841321025     -1.24026350297685
  H           0.09269663547764      2.71215519174846     -2.40312586150888
  C          -0.69194589436421      3.98363496842289      1.18905382314476
  H           0.41284455553965      2.30892558737529      1.90294773527033
  C          -1.15249587535082      4.66886329536937      0.05563266351714
  H          -1.24877223607711      4.77635463075269     -2.09507481814764
  H          -0.92478570710678      4.35922871679413      2.17759710380436
  H          -1.74001918203937      5.57128413981217      0.19060894560856
  C           1.09902850717810      1.22338261439747     -0.50411685186307
  C          -0.93520895408064     -4.79069520807627     -0.08857364817629
  N          -1.46256225623087     -5.80490715236899     -0.20374662579379
*

