#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm12Frz.gbw" end

* xyz 1 1
  C          -0.32909397196632     -2.94957643575481      0.17821063505800
  C           0.92372591288204     -2.79990601046790     -0.42385188725484
  C           1.58774418301018     -1.58675451225568     -0.39594415553716
  C           1.02300389203271     -0.49092806507472      0.25264358178669
  C          -0.23282065517187     -0.61935174673940      0.83763635967673
  C          -0.89271592479089     -1.83828948307389      0.80763634955698
  H           1.39372590842107     -3.64327330326499     -0.91669673780546
  H           2.56401595145871     -1.49883250778401     -0.86190648419493
  H          -0.69553763370163      0.22765744310662      1.33594540018091
  H          -1.86373594901630     -1.93205712251315      1.28139661685637
  C           1.75700818978213      0.84378228537818      0.29305031795802
  H           1.82016389559923      1.22772203878893      1.31022399896073
  H           2.77718406575318      0.68820112910214     -0.07280812686933
  H           1.15308066308068      1.50588236476670     -1.67832522859038
  C           0.32891971335013      2.89316347655967     -0.31451832518140
  C          -0.27202127396112      3.61145731327187     -1.38614933662311
  C           0.14286495354948      3.34860190677332      1.02099789969483
  C          -1.02023907814937      4.73656145339352     -1.13439660321301
  H          -0.12943542421440      3.25772159745865     -2.40158746573076
  C          -0.60880340515727      4.47114132583188      1.26065831497979
  H           0.59178167041161      2.81032845198163      1.84566726120752
  C          -1.18495242829067      5.16009592157584      0.18579373151573
  H          -1.47862632117687      5.28883514744617     -1.94504877655779
  H          -0.75759030837844      4.82770973326862      2.27223575588638
  H          -1.77620169564661      6.04766829442977      0.38598782296412
  C           1.08672329375022      1.77136296163944     -0.62385235245767
  C          -1.06167856401436     -4.23875918937864      0.16817466400361
  C          -0.96438204511417     -5.16778856327487     -1.01935512015668
  C          -0.31071552841062     -5.54607904627010      0.26807062626518
  H          -2.02265438526187     -4.20334213014097      0.66745371665895
  H          -0.33473633830721     -4.85371940745243     -1.84307090068544
  H          -1.86528195689785     -5.69104413333843     -1.31308085507413
  H          -0.75999318454728     -6.33041612967652      0.86350674566770
  H           0.76929509909375     -5.49140400831243      0.33237670705384
*

