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

* xyz 1 1
 C                  0.29451300   -1.91481200    0.12180000
 C                  1.51805700   -1.57529200   -0.56261800
 C                  2.02498800   -0.32302900   -0.47543500
 C                  1.37111000    0.72454100    0.27691500
 C                  0.14221600    0.36327100    0.94910400
 C                 -0.37161600   -0.88704400    0.88431500
 H                  2.04704300   -2.33031300   -1.12928200
 H                  2.95787400   -0.08998900   -0.98225300
 H                 -0.39054400    1.13287000    1.50010500
 H                 -1.30467200   -1.10852100    1.38588700
 C                  2.25201300    1.84806300    0.89693900
 H                  1.91128100    2.19486400    1.86680200
 H                  3.32165000    1.68756900    0.82148100
 H                  2.04551400    2.20976000   -1.23413800
 C                  0.29056400    3.09213600   -0.27980700
 C                 -0.66453500    2.95832100   -1.29347000
 C                  0.10612900    4.05772000    0.71122500
 C                 -1.79250200    3.77011300   -1.30793000
 H                 -0.52264100    2.21254900   -2.07156100
 C                 -1.02433400    4.87351200    0.69476600
 H                  0.85306500    4.19609000    1.48728700
 C                 -1.97554100    4.72856000   -0.31054900
 H                 -2.52821200    3.66041800   -2.09777400
 H                 -1.15415500    5.62783100    1.46366100
 H                 -2.85353400    5.36575000   -0.32389100
 C                  1.49525700    2.21134300   -0.29638300
 N                 -0.20585500   -3.13596900    0.04588000
 C                 -1.39828100   -3.59694400    0.78662900
 C                  0.35966200   -4.21699800   -0.78820100
 H                 -1.33663700   -3.28649400    1.83181300
 H                 -2.29619000   -3.15815100    0.33655800
 C                 -1.36285400   -5.11518500    0.61779700
 H                  0.56089400   -3.84923500   -1.79673100
 H                  1.29820700   -4.56496100   -0.34164800
 C                 -0.71666600   -5.30109600   -0.75683700
 H                 -0.73945400   -5.56374300    1.39744700
 H                 -2.35858300   -5.55498500    0.68728300
 H                 -1.44952600   -5.12662900   -1.55063200
 H                 -0.29212200   -6.29551000   -0.90077300
*

