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

* xyz 1 1
 C                 -0.23779800   -1.85565400    0.05692900
 C                  1.12759700   -1.87232200    0.34062600
 C                  1.73834900   -0.70489300    0.78748400
 C                  0.99508200    0.45750500    0.96974900
 C                 -0.36602600    0.45509100    0.67613700
 C                 -0.99553000   -0.69654400    0.22006700
 H                  2.80106600   -0.71999000    1.00367400
 H                 -0.96042300    1.35243900    0.81194600
 C                  1.65383900    1.74632700    1.46578800
 H                  1.09766300    2.17582600    2.29942100
 H                  2.67211100    1.52976700    1.80336500
 H                  2.41746100    2.29633500   -0.49436400
 C                  0.93215400    3.72681400   -0.02222900
 C                  1.10573500    4.35300000   -1.29778000
 C                 -0.03359500    4.26010600    0.89005000
 C                  0.35034500    5.45239900   -1.64139200
 H                  1.83739300    3.95038100   -1.99215500
 C                 -0.78266900    5.35595400    0.53215000
 H                 -0.17672900    3.80534900    1.86384300
 C                 -0.59013800    5.94752300   -0.72848800
 H                  0.47718800    5.92987100   -2.60585200
 H                 -1.51711200    5.76608900    1.21557000
 H                 -1.18653600    6.81328400   -1.00088600
 C                  1.71085800    2.61720800    0.27228800
 C                  1.98172000   -3.12725900    0.20683300
 F                  3.27628100   -2.79079200    0.06938300
 F                  1.63644200   -3.84751400   -0.86355300
 F                  1.87720900   -3.89544300    1.29337300
 C                 -2.47861900   -0.62150800   -0.11445600
 F                 -3.04767900    0.40939000    0.54005600
 F                 -3.12926700   -1.73081700    0.23539700
 F                 -2.66249300   -0.40943000   -1.42260000
 N                 -0.89601300   -3.08774700   -0.42949200
 O                 -1.26001200   -3.07665500   -1.58867800
 O                 -1.01098200   -3.98865500    0.37576800
*

