#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod8Frz.gbw" end

* xyz 1 1
  C          -0.09039701928299     -3.54136077121774      0.03315348483330
  C           0.43961699803416     -3.03523686056149      1.23631147187621
  C           0.88856296398072     -1.74404142259690      1.28051678837956
  C           0.82862756348901     -0.90940928247228      0.12441129132779
  C           0.28743721523537     -1.44439461003019     -1.08289127342871
  C          -0.16243148572018     -2.73309453812321     -1.12406822431682
  H           0.48224714509588     -3.67521220856396      2.10802890514981
  H           1.29711105661299     -1.33801131140514      2.19958165344732
  H           0.23086597863635     -0.82853609798821     -1.97103728309510
  H          -0.57528436231879     -3.15240770297033     -2.03252880098182
  C           1.30154448556123      0.38497793856772      0.22500821180109
  H           1.68189427429879      0.69002352657189      1.19905417764335
  H           2.30777039870443      1.86917895833544     -0.83984429531671
  H           1.05439266974425      1.06660753653898     -1.79162318805879
  C           0.32667851878549      2.53274970200471     -0.36826712870399
  C          -1.04497893093182      2.30172557645802     -0.42162421111458
  C           0.80824742376609      3.75189143893247      0.09914011553998
  C          -1.93079656887505      3.29911554321527     -0.03662716263934
  H          -1.42642774822987      1.34935877126951     -0.77805776917011
  C          -0.07880041275246      4.74665568072223      0.48469998599844
  H           1.87717858377864      3.93366344234515      0.14259613375258
  C          -1.44794346844946      4.52100202501416      0.41680182610823
  H          -2.99871789909847      3.12276884853711     -0.09114814224570
  H           0.29959030105917      5.70075493349318      0.83247288807768
  H          -2.14081118580314      5.29891052873608      0.71567269458864
  C           1.30092687057081      1.44122059768219     -0.79926153307997
  C          -0.55992137302080     -4.88246258165451     -0.02005143575235
  C          -0.95626894119709     -6.01367527696462     -0.06532652422643
  H          -1.30890381167323     -7.02175135387552     -0.10524756639355
*

