#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm16Frz.gbw" end

* xyz 1 1
  C          -0.09917660033447     -3.50952441068578     -0.29591451925368
  C           1.26644307518296     -3.27953744002020     -0.35103459893002
  C           1.78556931020746     -2.06150110788443      0.06447981806795
  C           0.94408090096040     -1.07011672447362      0.55108715920560
  C          -0.43731444455603     -1.28473033993603      0.58385055330242
  C          -0.95331360874866     -2.49985711989642      0.17831828542418
  H           1.91169791001451     -4.07222178408321     -0.70960241217784
  H           2.85769669809950     -1.90076109223963      0.03298869955025
  H          -1.10977511662295     -0.51233381348452      0.94826022159053
  C           1.51436302870358      0.26335142212730      1.01408883520654
  H           1.06249184401719      0.58297476920087      1.95194699611098
  H           2.58862794277689      0.13789848333001      1.18487101471012
  H           1.90586088454743      1.02899396702494     -0.97181368187325
  C           0.51040858400997      2.35516330053403     -0.10110234767707
  C           0.47567173084650      3.12480804718031     -1.29757376889856
  C          -0.28272828012553      2.75786572952335      1.00981073088748
  C          -0.31342704725197      4.24766891174712     -1.37859365973638
  H           1.08098687636724      2.81208832181329     -2.14161628524293
  C          -1.06751533492306      3.87939247899803      0.91728717701383
  H          -0.26417457652092      2.18313192192005      1.92677608321400
  C          -1.07992169281751      4.61896450027760     -0.27263703011948
  H          -0.34300854808150      4.83843743473317     -2.28547446682895
  H          -1.67306055044599      4.19809335741929      1.75657036715758
  H          -1.70256249753702      5.50546258506318     -0.33480714665137
  C           1.34205905290273      1.24314668246492     -0.06457164533222
  O          -0.59244148067344     -4.69787644331301     -0.69398944529988
  H          -1.55101122036661     -4.70143143394561     -0.56948384506622
  O          -2.27985697856171     -2.82524249783936      0.18858317243919
  H          -2.80055254106906     -2.14564929555559      0.62694194920719
*

