#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithessprod14.hess" end

* xyz 1 1
  C          -0.17024655881046     -2.63689533843325      0.18349938803335
  C           0.35378471456195     -1.92967270207731      1.26110624426600
  C           0.90030131639344     -0.67256150761461      1.02240189330584
  C           0.91002531753641     -0.13761144611150     -0.27541724412474
  C           0.38693914986503     -0.88233592428879     -1.34364677477614
  C          -0.15879757111971     -2.14366116566306     -1.11667434184203
  H           0.32776117949231     -2.37296911723209      2.25766137790880
  H           1.32014251630826     -0.10001931923596      1.85441753916022
  H           0.42324538866902     -0.49940903765559     -2.36635296575640
  H          -0.56601353095001     -2.75321362422897     -1.92472042416829
  C           1.51234930176715      1.20119857176724     -0.48155667427611
  H           2.32803952507326      1.45084688198138      0.20318731608598
  H           2.16193254725747      2.72114289892762     -1.91321428790465
  H           0.78355266454085      1.64983268194164     -2.49754793388443
  C           0.45455504832711      2.55399140908169     -0.48428059760722
  C          -0.93658139922909      2.24551799279003     -0.49100067169499
  C           0.92313137342088      3.64207266730395      0.30804116924654
  C          -1.81870396538906      3.00697572028400      0.25000759654320
  H          -1.29568330950781      1.39323283448048     -1.07394571299982
  C           0.03550216729975      4.39250308781623      1.05632563377579
  H           1.99147086058712      3.88065479134587      0.31481846099711
  C          -1.33081578684789      4.07383701278624      1.02296517698807
  H          -2.88640173410528      2.77696253984021      0.24333254165558
  H           0.39211318480686      5.22629271274153      1.66508533133530
  H          -2.03231648669536      4.66674188290166      1.61801411799174
  C           1.36546879282532      2.02064896505629     -1.65084862219952
  N          -0.76009598302214     -3.98061367370676      0.43047553898724
  O          -0.74771552376528     -4.38024675119653      1.57076853195439
  O          -1.20885275929008     -4.56372863360165     -0.52823761700081
*

