#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithessprod15.hess" end

* xyz 1 1
  C          -0.49855806816886     -2.96634706164438      0.00447502240357
  C          -0.36166983871730     -2.41003241833967      1.28727613631662
  C           0.27001887602009     -1.19369827174465      1.45085546949832
  C           0.78242671752409     -0.50687446571301      0.31708290138844
  C           0.64595991376465     -1.07469904578738     -0.97942909579095
  C           0.01297214460197     -2.28924375740234     -1.12135661403448
  H           0.36270047200806     -0.77878520142139      2.45756894330012
  H           1.04040962801929     -0.59065696229270     -1.87413417094996
  C           1.44705520082982      0.72266815264799      0.52977241186086
  H           1.58244981134096      1.02767483731627      1.57474769666874
  H           2.82084450760897      2.20508715902480     -0.18641936880052
  H           1.96695724992852      1.30565543228236     -1.49847703248023
  C           0.67422806839342      2.59892706616054     -0.26559217339308
  C          -0.50918365585446      2.36939597820237     -0.98689220931535
  C           0.73377640562129      3.64964958769789      0.66678255012722
  C          -1.59951295502030      3.21857749459864     -0.82156849785622
  H          -0.57245210292640      1.53526639873347     -1.69207978940558
  C          -0.36216940383428      4.49149210555229      0.83399063918125
  H           1.65040672986508      3.82541134144474      1.23859019836769
  C          -1.52637740820974      4.27724545366418      0.08929665844358
  H          -2.51115544713555      3.05448434014799     -1.40121010303689
  H          -0.30792294436431      5.32149336744307      1.54269563702352
  H          -2.38605412510316      4.93938714988212      0.22250286375212
  C           1.89823378539688      1.68509438911565     -0.47335705024530
  F          -0.84944151884127     -3.07643150173917      2.31394417086366
  F          -1.09244899306941     -4.11573681455924     -0.14773263296643
  F          -0.13207652967808     -2.85529511327048     -2.30269346092074
*

