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

* xyz 1 1
 C                  0.02116800   -2.45111500   -0.08902900
 C                  1.38382300   -2.16953000   -0.46539400
 C                  1.96665600   -0.97651200   -0.18640200
 C                  1.25839900    0.09127100    0.46897300
 C                 -0.12366300   -0.16372800    0.79469000
 C                 -0.69425700   -1.35544300    0.53008000
 H                  1.97412700   -2.94525200   -0.93308300
 H                  3.01105200   -0.82504500   -0.44495800
 H                 -0.74019600    0.62502400    1.21488300
 C                  2.06973600    1.08309600    1.35617300
 H                  1.54444600    1.40246500    2.24975000
 H                  3.10715800    0.81028800    1.51433500
 H                  2.40722000    1.58215900   -0.72680000
 C                  0.56838500    2.59808600   -0.13739500
 C                 -0.04365100    2.69508900   -1.39224100
 C                  0.15818800    3.44778800    0.89228900
 C                 -1.05681100    3.62095300   -1.60997900
 H                  0.27681900    2.04133800   -2.19932300
 C                 -0.85705300    4.37680600    0.67245100
 H                  0.64388500    3.41127600    1.86259800
 C                 -1.46736800    4.46215200   -0.57542900
 H                 -1.52431300    3.69182900   -2.58628900
 H                 -1.16191100    5.04080500    1.47428400
 H                 -2.25416000    5.18913200   -0.74646800
 C                  1.65589300    1.59886700    0.05837100
 N                 -0.51922100   -3.64136000   -0.32373900
 C                 -1.76753900   -4.13226300    0.28283800
 C                  0.16400500   -4.61785400   -1.17926800
 H                 -1.65166600   -5.20488400    0.44100500
 H                 -1.94900100   -3.66194100    1.24400800
 H                 -2.61617700   -3.95425900   -0.38181400
 H                 -0.57397400   -5.34193100   -1.52170500
 H                  0.59085300   -4.13416800   -2.05834700
 H                  0.94638400   -5.14710400   -0.62578200
 F                 -2.00552200   -1.50764800    0.78160200
*

