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

* xyz 1 1
 C                  0.03193400   -2.39522200    0.10211300
 C                  0.61858000   -1.65605700    1.12185300
 C                  1.07406200   -0.36822000    0.89710200
 C                  0.93989000    0.18744100   -0.38019900
 C                  0.36675500   -0.55040600   -1.42264700
 C                 -0.08227600   -1.83399200   -1.16409300
 H                  1.51853900    0.18135500    1.71949300
 H                  0.28450400   -0.17328500   -2.43502200
 C                  1.44606800    1.55203500   -0.59430800
 H                  2.24360700    1.85887900    0.07598800
 H                  1.93325300    3.13059800   -2.00264200
 H                  0.61520200    2.00489000   -2.56206100
 C                  0.26803800    2.88754500   -0.55161800
 C                 -1.09176700    2.48397800   -0.50729100
 C                  0.70576000    3.96586400    0.26147900
 C                 -1.98252500    3.15672800    0.30197500
 H                 -1.42512900    1.64157700   -1.10555800
 C                 -0.19173400    4.62466100    1.07763700
 H                  1.74661900    4.27621800    0.22777900
 C                 -1.53140800    4.22011100    1.09497300
 H                 -3.02458300    2.86013500    0.33158600
 H                  0.13724900    5.45069800    1.69735100
 H                 -2.23435000    4.73820900    1.73965400
 C                  1.18475000    2.39581100   -1.72515000
 N                 -0.46007100   -3.75520700    0.35784500
 O                  0.38456600   -4.61014400    0.52937200
 O                 -1.66797700   -3.89006000    0.37432100
 F                 -0.61659600   -2.55299400   -2.14101400
 F                  0.72245200   -2.19208600    2.32886000
*

