#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm16.hess" end

* xyz 1 1
  C          -0.33378552778462     -2.97825847527548     -0.37306880442632
  C           1.00390227258920     -2.86773426625764     -0.81357676358518
  C           1.72490105737592     -1.75379425584428     -0.47231783728719
  C           1.15092352298496     -0.69709273306089      0.31380781558118
  C          -0.22131118707934     -0.83567583769853      0.74977174301402
  C          -0.94190423419499     -1.94261887709640      0.41924397815411
  H           1.42350622263168     -3.67677475640688     -1.41434068814920
  H           2.76381959320260     -1.65751239387122     -0.80253535541196
  H          -0.67855927930895     -0.02575743089581      1.32514684546343
  C           2.11772595908376      0.18561082495815      1.16577456832553
  H           1.68889746148500      0.50009641629652      2.11964441581700
  H           3.14062221976628     -0.19289898297516      1.22552244295728
  H           2.32766646277084      0.75966725690519     -0.92133326490969
  C           0.62462609401603      1.88238939429882     -0.12433721505881
  C          -0.03991088093660      2.11262550673289     -1.33772392140172
  C           0.31943329233379      2.67396236659622      0.98968998724869
  C          -1.00720812521094      3.11028954025261     -1.43097324157182
  H           0.20325874124058      1.50445301102135     -2.21463478313063
  C          -0.64917662413337      3.67565262833573      0.89371836799956
  H           0.85435616513992      2.53516381730968      1.93313551014456
  C          -1.31544550097972      3.89144535843251     -0.31300757981851
  H          -1.51965375459643      3.28541401972864     -2.38046883198095
  H          -0.87365826557823      4.29821932789485      1.76367905308098
  H          -2.06999011172841      4.67896867366716     -0.38765812656260
  C           1.65257085775072      0.80264214592492     -0.06118890273688
  O          -1.03768544187181     -4.02879960465866     -0.69429604306226
  H          -1.93535477228809     -3.95677822623399     -0.31822968483095
  O          -2.22561565474512     -2.22075359225511      0.73927137991714
  H          -2.64679185193464     -1.51899466582519      1.25194653622118
*

