#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm17.hess" end

* xyz 1 1
  C          -0.88395759197120     -2.23864501857225      0.08440847512433
  C           0.54873063518512     -2.32409052645949     -0.12635388188456
  C           1.32539969314737     -1.24839306642241      0.20447690733568
  C           0.74586407252856     -0.03690577058956      0.75043369409752
  C          -0.67329933939102      0.00768181364517      0.93874984309047
  C          -1.46846330160609     -1.06187735292937      0.61846071122241
  H           2.40750494971447     -1.28417623968649      0.06439478138090
  H          -1.12446300662307      0.92559878928525      1.32499354313433
  H          -2.54686718334979     -1.00425340585360      0.76434032545840
  C           1.63058025047828      0.84455460145534      1.68925682469142
  H           1.08520107532507      1.30782900614203      2.51419571707791
  H           2.57667681466088      0.37637540112928      1.96974170236212
  H           2.25868036687186      1.14705939159558     -0.37038088188124
  C           0.59930177451857      2.52945313149874     -0.00628246692316
  C           0.17024115815655      2.68558586051805     -1.33237336161496
  C           0.23198469100538      3.48124417115044      0.95190297044200
  C          -0.62747522658471      3.76941643648204     -1.69049362339393
  H           0.46381900942047      1.95029587306782     -2.08819506830265
  C          -0.56663390320849      4.56906400570264      0.59091124125192
  H           0.58609901547327      3.39591900972393      1.98280756587791
  C          -1.00010316406822      4.71188830320021     -0.72708982679591
  H          -0.95704749121151      3.88475138787179     -2.72635634735750
  H          -0.84161525521081      5.31310215329820      1.34298253629714
  H          -1.62240066326007      5.56533852380186     -1.00878838430413
  C           1.45433175779308      1.35506143653889      0.34207539080557
  O          -1.55277505346332     -3.29912923534744     -0.25702003598170
  C          -2.97703678764986     -3.37023390843871     -0.10499710941183
  H          -3.25281491059808     -3.25961538586069      0.95437249694528
  H          -3.46434790078547     -2.59751445288266     -0.71822388993003
  H          -3.26131445469523     -4.36563795314170     -0.46308099042362
  O           0.96152300535620     -3.48617563876367     -0.63637488954747
  C           2.34823155958952     -3.66844013951762     -0.87228291172264
  H           2.72485914243989     -2.93147517409350     -1.60222012586338
  H           2.92186699119406     -3.59144753385301      0.06721645978954
  H           2.46026865081832     -4.67795108369511     -1.28476961104615
*

