#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm7.hess" end

* xyz 1 1
  C          -0.22584320933101     -2.89573097736246     -0.11271869616702
  C           0.97916296373677     -2.69471886633416     -0.83099541171294
  C           1.71366078607122     -1.54423571725517     -0.66286269533763
  C           1.27468757306747     -0.52245853937187      0.23346509800933
  C           0.05346704661594     -0.73210442406558      0.94768866486667
  C          -0.66886055831048     -1.88740651114957      0.78292931682737
  H           1.32410671493552     -3.46773290260932     -1.52164661012867
  H           2.64719591444489     -1.40380496604399     -1.21698859452162
  H          -0.31274620234759      0.05221452293732      1.61525414009203
  H          -1.59591856098609     -2.01987432745863      1.34207967606994
  C           2.31304338026374      0.51762199066995      0.76495688242242
  H           2.09985101239378      0.84946498086712      1.78338855709075
  H           3.34930145999994      0.21948920082333      0.58858931121017
  H           1.97153852959635      0.96691189282766     -1.32843331710736
  C           0.43224499571735      2.03038865112278     -0.20449477671572
  C          -0.40436847487531      2.23904090326415     -1.31175706424867
  C           0.21697549247762      2.76287974270265      0.97234463777269
  C          -1.45172663697831      3.15372628377714     -1.23798843998493
  H          -0.23333356706164      1.67836736013275     -2.23583304381083
  C          -0.83042377740678      3.68062623451902      1.04237134933655
  H           0.88029397960894      2.64360733185056      1.83307139021391
  C          -1.66746223833510      3.87272614660088     -0.05909283096448
  H          -2.09959020130311      3.31189735175813     -2.10381644839558
  H          -0.98661505225844      4.25754799094327      1.95736582793779
  H          -2.48608080742286      4.59505580442270     -0.00225101169827
  C           1.53989638690058      1.05325109544392     -0.32706202618013
  C          -0.96860079748277     -4.14123842344107     -0.33321787276142
  C          -2.12245215237094     -4.47283147218612      0.26470656632466
  H          -0.52027904255153     -4.83834623214930     -1.04811948447413
  H          -2.60781447821968     -5.42712598398659      0.04198879208895
  H          -2.62821608858848     -3.82669863124948      0.98772720394616
*

