#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm10.hess" end

* xyz 1 1
  C          -0.97566721204443     -3.10101975339128     -1.11239597961469
  C           0.14437910123682     -3.35955658005503     -0.30288364409736
  C           0.49593948825752     -2.40602448374122      0.65445429652525
  C          -0.26138478697721     -1.23409045446812      0.81931160211183
  C          -1.35660434731812     -0.98243459997041     -0.01655917097357
  C          -1.71965325183067     -1.93030360609079     -0.97219928950183
  H           1.35755787256004     -2.59099146893990      1.30456221898622
  H          -1.93234438942877     -0.05771966709450      0.08406565771952
  H          -2.58534960000061     -1.75247232516717     -1.61510403921408
  C           0.14163469920731     -0.20537931841332      1.89106727578622
  H          -0.72622022785731      0.28638993538239      2.34382411251484
  H           0.75947416125050     -0.68321838731514      2.66255334397363
  H           1.90291014803027      0.21454750518329      0.69030059018837
  C           0.55955238163153      1.84467947124687      0.37344542912327
  C           1.42862678096073      2.39541842220579     -0.61136892052843
  C          -0.62902825608856      2.54785737209732      0.72612719959960
  C           1.11947445922435      3.59837539605660     -1.22359888754059
  H           2.34164372038811      1.85660106403798     -0.88082700765120
  C          -0.92819906051456      3.74837497720651      0.11049731058090
  H          -1.29955956498277      2.14816078995800      1.48967140629358
  C          -0.05666164234359      4.26851923954762     -0.86213917075455
  H           1.78386422126127      4.02253497758850     -1.97964530518704
  H          -1.83422982283753      4.29590520152862      0.37981376392570
  H          -0.30120896604692      5.22001198077961     -1.34390482716675
  C           0.93081106625457      0.63103591827673      0.98406183725084
  H          -1.26565527284256     -3.83486668791455     -1.87040584631754
  C           0.92378545438833     -4.64094259394065     -0.45881702456912
  H           1.84970665971704     -4.62755139780450      0.13327411828258
  H           1.18952219269839     -4.81336240427737     -1.51285833861613
  H           0.32134028404682     -5.50130220251191     -0.12639668112948
*

