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

* xyz 1 1
 C                 -0.00493400   -1.65059800    0.01980400
 C                  0.24093500   -0.96554000    1.21046500
 C                  0.77758300    0.31274800    1.14638800
 C                  1.05610400    0.91139000   -0.08379400
 C                  0.82082300    0.20044000   -1.26132200
 C                  0.29013000   -1.08218000   -1.22026100
 H                  0.97408700    0.84477500    2.07119800
 H                  1.05597700    0.62859300   -2.22845300
 C                  1.61562800    2.27226300   -0.08997200
 H                  2.17300900    2.54359600    0.80208900
 H                  2.53080800    3.88324600   -1.22158100
 H                  1.44625500    2.79896100   -2.20478800
 C                  0.49456600    3.61721000   -0.36906200
 C                 -0.81325200    3.23946500   -0.77354300
 C                  0.65982000    4.65574500    0.58540600
 C                 -1.90928300    3.89553300   -0.25648800
 H                 -0.94650000    2.43238800   -1.48753400
 C                 -0.44547800    5.29683600    1.10803000
 H                  1.66010100    4.94724000    0.89426500
 C                 -1.72440000    4.91566200    0.68690400
 H                 -2.90941000    3.61918000   -0.56977200
 H                 -0.32440400    6.08933800    1.83730100
 H                 -2.59269000    5.41646400    1.10338600
 C                  1.72894000    3.15238000   -1.21829000
 C                 -0.08105400   -1.54702000    2.58202800
 F                  0.65574100   -0.93538900    3.52428500
 F                  0.18185000   -2.85287400    2.64136800
 F                 -1.36797800   -1.35280700    2.88797300
 C                  0.07000000   -1.81482300   -2.53867700
 F                 -0.00016600   -0.92726800   -3.54885000
 F                 -1.07197700   -2.50623300   -2.53039900
 F                  1.07691600   -2.64743300   -2.80235500
 N                 -0.59397900   -3.00648800    0.07423700
 O                 -1.75522800   -3.06511800    0.42539400
 O                  0.13758800   -3.92259300   -0.23795300
*

