#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm6Frz.gbw" end

* xyz 1 1
  C          -0.07547595660626     -3.33982185960762     -0.07121023869314
  C           1.26608815041412     -3.12449151590152     -0.41560532039369
  C           1.84366058514088     -1.89181233665787     -0.21142623488208
  C           1.10774652279682     -0.84727095812261      0.35666390458875
  C          -0.22836062602861     -1.05702100707209      0.67283073922060
  C          -0.82422064722512     -2.29627750608150      0.47604640556634
  H           1.83159398671114     -3.94853690456669     -0.83329393884746
  H           2.88651840510107     -1.74280790175476     -0.47202873707391
  H          -0.82146073456850     -0.25300750830831      1.09890738436697
  H          -1.86053432814882     -2.43681879006640      0.74995318541753
  C           1.75273366018178      0.51144458424477      0.58990285565930
  H           1.59044224338296      0.85738986495802      1.60982411615572
  H           2.83254430124175      0.41182443032540      0.43901203666074
  H           1.53553624186399      1.23113855445411     -1.44096828249727
  C           0.37757590585593      2.52193300992523     -0.23225078298734
  C          -0.02580803998460      3.25973928821155     -1.37987388906328
  C          -0.09948492059452      2.91209876462778      1.05011458407242
  C          -0.86352310976277      4.34199496977128     -1.25060965945265
  H           0.33875098416575      2.95591760145778     -2.35526067670767
  C          -0.93815375023214      3.99201180838037      1.16693468331963
  H           0.19719866021755      2.35821304618039      1.93135311462027
  C          -1.31530722871449      4.70222212798108      0.02025741304935
  H          -1.17225971430659      4.90912244570461     -2.11971568203501
  H          -1.30752856387922      4.29885311138921      2.13750349320454
  H          -1.97727873988216      5.55572858819249      0.12363120471244
  C           1.24071057120306      1.44808318154163     -0.41496635209037
  O          -0.54563752006612     -4.57733330866857     -0.30417851374825
  C          -1.89999164024078     -4.86058316845322      0.04024230462617
  H          -2.06628128843725     -4.72207982897989      1.11221406438886
  H          -2.58768438128929     -4.23089608435711     -0.53135940742244
  H          -2.05916121830959     -5.90404362874755     -0.22130787373508
*

