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

* xyz 1 1
  C           0.15378532779495     -3.44727912083348      0.51160994536485
  C           1.30790483326287     -2.85236794071008      1.04477373876708
  C           1.64060215438871     -1.59158102482174      0.64554473208923
  C           0.84101419744420     -0.87347271337172     -0.29880870422719
  C          -0.33627848561116     -1.50173836564354     -0.82940548846079
  C          -0.66928779634610     -2.75492380247488     -0.43490511080708
  H           1.89901315112260     -3.41355801326012      1.75713453570994
  H           2.52670181222774     -1.11119676224430      1.04498429902035
  H          -0.95578086688881     -0.97676219896510     -1.54648790065834
  C           1.24222499621237      0.38926245198775     -0.65460232844437
  H           2.15214968611673      0.76140769004568     -0.18816440829922
  H           1.27547814587836      1.77312187932480     -2.24298123933536
  H          -0.27039693094862      0.92188628986941     -2.09385490615322
  C           0.06980180826165      2.46330178808867     -0.59808259852983
  C          -1.03018827876725      2.23331500784957      0.22432904418304
  C           0.73950109559923      3.68092671732255     -0.53178843238407
  C          -1.47445649522054      3.22394421080337      1.08844412388360
  H          -1.55031086334210      1.28069657734085      0.18401437512044
  C           0.29607930555072      4.67038664387630      0.33531046323238
  H           1.59681170335860      3.86545283853970     -1.17113547470092
  C          -0.81004638185511      4.44312126560162      1.14497596675579
  H          -2.33872352125784      3.04545721894893      1.71759594779457
  H           0.81185720438799      5.62278701724706      0.37383026902302
  H          -1.15602514244680      5.21785588724298      1.81924564255609
  C           0.55475020814815      1.35848795653482     -1.53377579793688
  O          -0.17235084614755     -4.65953579420770      0.88881019058508
  H          -0.98681558694053     -4.94467521944162      0.43991862092112
  O          -1.73880311880373     -3.48524147882124     -0.83814938987632
  H          -2.27240619517872     -3.02125885582856     -1.49295868519297
*

