#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm10Frz.gbw" end

* xyz 1 1
  C          -1.24894162724758     -3.47646796351068     -0.64138216999164
  C           0.07084396522689     -3.66046614618004     -0.22398594769115
  C           0.73343334766418     -2.58288720384002      0.35114434553515
  C           0.09340999266402     -1.35764490609042      0.52373213101796
  C          -1.21340426289934     -1.18235479173249      0.08609055947463
  C          -1.88526602176774     -2.25403721937157     -0.49091366362398
  H           1.75621412766645     -2.70925352728370      0.69341755800879
  H          -1.71546558919371     -0.22743969852234      0.20785649740717
  H          -2.90984122987568     -2.13280114539364     -0.82303605355550
  C           0.83734056519069     -0.20276245703346      1.18895787636919
  H           0.26951176350707      0.19604016832386      2.02810642033636
  H           1.79028323845153     -0.58152346507055      1.57228722123105
  H           1.83385154423732      0.49287583380347     -0.60374489758113
  C           0.59118803264086      2.07847192637602      0.03043093451962
  C           1.00210196385490      2.86494298557890     -1.08302741362719
  C          -0.34944886031373      2.61557810903421      0.95451138165260
  C           0.49885633325584      4.13109154913875     -1.26179454836093
  H           1.71665284874367      2.44922961165168     -1.78531992402977
  C          -0.84740018427282      3.87951923608223      0.76406641306045
  H          -0.67271719403363      2.02771881138786      1.80381635767870
  C          -0.42226381495534      4.63120776851291     -0.33903313288890
  H           0.80785299694883      4.73534354836282     -2.10540124227102
  H          -1.56358939524965      4.29929422355993      1.45935152227729
  H          -0.82114921792416      5.63051602841649     -0.47969831241499
  C           1.13386283282293      0.80901095495033      0.16889349183409
  H          -1.78398026013962     -4.30648381625864     -1.09110776355002
  C           0.74462017951013     -4.99735474867153     -0.38444488354220
  H           1.78260334746295     -4.96351084685701     -0.05162315317377
  H           0.72949548473635     -5.31383682274954     -1.42987142205799
  H           0.22459796328838     -5.76128133661378      0.19838101795717
*

