#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000

* xyz 1 1
 C                 -0.23465900   -2.47495600    0.03810100
 C                  1.15773700   -2.40434800    0.10240600
 C                  1.76176200   -1.19144600    0.44738000
 C                  0.98428300   -0.07727800    0.75256900
 C                 -0.40484800   -0.16715700    0.69154600
 C                 -1.02693200   -1.36388500    0.32779000
 H                  2.84521600   -1.14402500    0.48666500
 H                 -1.03100600    0.68676500    0.93190500
 C                  1.63182500    1.25509000    1.12403700
 H                  1.21114600    1.65075900    2.04914300
 H                  2.70727600    1.10728100    1.27496800
 H                  1.94160600    1.81834100   -0.95404900
 C                  0.66484000    3.29063200   -0.13613300
 C                  0.57376000    3.93960600   -1.41122000
 C                 -0.03940900    3.84817600    0.98051700
 C                 -0.18079300    5.08151600   -1.55869200
 H                  1.10365100    3.51732100   -2.25996400
 C                 -0.78560200    4.99061600    0.81839500
 H                  0.01869000    3.37738100    1.95534400
 C                 -0.85571200    5.60216800   -0.44614300
 H                 -0.25586100    5.57407000   -2.52096400
 H                 -1.31790600    5.42336100    1.65739000
 H                 -1.44813200    6.50485600   -0.56227300
 C                  1.43926300    2.14665800   -0.04289000
 N                 -0.88035900   -3.74050500   -0.34779100
 O                 -0.62332300   -4.70824200    0.34021700
 O                 -1.60968300   -3.69349900   -1.32004600
 C                 -2.46158700   -1.40577600    0.28006300
 N                 -3.61826200   -1.36225300    0.27515100
 C                  1.99330700   -3.52966600   -0.20977500
 N                  2.72133000   -4.39008400   -0.47299100
*

