#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm0.hess" end

* xyz 1 1
  C          -1.04886090680517     -3.65744482090418      0.54109224675534
  C          -0.27736283670366     -3.74057704985766     -0.62188862078428
  C           0.64096691059582     -2.73716839403999     -0.92179562360724
  C           0.80325052854168     -1.65255515832093     -0.04592644509206
  C           0.00729157220026     -1.55940198674526      1.10503935190357
  C          -0.90586139957243     -2.56844686943526      1.40460203261042
  H          -1.76814223376516     -4.44683499553474      0.77471836965677
  H          -0.38782146720955     -4.59514724495043     -1.29412224116850
  H           1.25470694143095     -2.81059661464105     -1.82503239877784
  H           0.11002284090745     -0.70303948893209      1.77870272926446
  H          -1.50987307892970     -2.50429573385485      2.31308165841360
  C           1.82208181554639     -0.54644702786862     -0.36820491030992
  H           2.30651484806928     -0.15356673105211      0.53265992087657
  H           2.57670030761344     -0.92285845814006     -1.07191965968312
  H           0.54733352392918      0.07038152160925     -2.01790184651979
  C           0.28382192442883      1.52618225166802     -0.48014523759688
  C          -0.73021733046578      2.17757523034805     -1.24211220593508
  C           0.67677446131711      2.07899009090604      0.77501671240127
  C          -1.32928577926079      3.33141424526131     -0.76707867718773
  H          -1.03019099516538      1.75406404455440     -2.20508449768715
  C           0.07335348818081      3.23136438371360      1.23966120922114
  H           1.46156945116433      1.60176803120607      1.36544923344888
  C          -0.92677869877651      3.85213185238455      0.47034188475116
  H          -2.10636204213297      3.83281597171282     -1.34820680972184
  H           0.37247651442812      3.66457932459235      2.19675543261231
  H          -1.39841255426844      4.76542802059752      0.84568104007271
  C           0.88039703470189      0.37244899572324     -1.01632184791679
*

