#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithessprod17.hess" end

* xyz 1 1
  C          -0.02842830728247     -2.87870829505186     -0.53351695439194
  C          -0.01519802511670     -2.45157005897685      0.85219433163850
  C           0.40090319974839     -1.17990009114184      1.14241940379916
  C           0.82352071427032     -0.27044550823553      0.10026680074990
  C           0.79457939830404     -0.72543283818806     -1.25984363159811
  C           0.37949391119949     -1.99564687504472     -1.56792001906858
  H           0.42125362695779     -0.82623810679153      2.17424162295594
  H           1.10677212528110     -0.05803244065661     -2.06478152380793
  H           0.36386253893825     -2.32957812853642     -2.60527413863262
  C           1.24171208010837      0.99836626411078      0.43745519264130
  H           1.22534654753770      1.25714824969418      1.50428570669600
  H           2.59967416270995      2.52547149406886     -0.09497180686941
  H           1.78814266102495      1.79577288471157     -1.50086461741957
  C           0.55436793413784      3.17068397844569     -0.34078341454491
  C          -0.69991558755759      2.93956054063677     -0.91970388178502
  C           0.78003568381417      4.35734756924780      0.36524957926949
  C          -1.71083811890645      3.89450002068773     -0.81311979312280
  H          -0.88880913481021      2.00970927416910     -1.46659815967958
  C          -0.23303725656558      5.31092625048756      0.47419894422202
  H           1.75731566283335      4.54684469313608      0.81972569368889
  C          -1.47805345858258      5.08112347887842     -0.11451687667894
  H          -2.68371771445210      3.71259692975166     -1.27718621811242
  H          -0.04643004783440      6.24099928087480      1.01739003317521
  H          -2.26956961536130      5.83037066361181     -0.03002790689909
  C           1.64661629144950      2.10951268937343     -0.45854200353214
  O          -0.43306183906774     -4.09800298995322     -0.72946150990163
  C          -0.49880320796883     -4.66756914587576     -2.04392051849602
  H          -1.20298227729722     -4.09957419183964     -2.67010609712509
  H           0.50209050585447     -4.68753954336671     -2.50036943511638
  H          -0.86548142106854     -5.69001649153654     -1.90263701754480
  O          -0.42548811603431     -3.37896348726108      1.71689918215040
  C          -0.44803970194143     -3.05634419763338      3.09895970489228
  H           0.56375788137696     -2.80764779792178      3.46177375745031
  H          -1.13436132247386     -2.21525561297611      3.29585930393829
  H          -0.81094140322533     -3.95159059089859      3.61716806705929
*

