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

* xyz 1 1
 C                  0.06181400   -2.21184300    0.08458300
 C                  0.37213800   -1.45356100    1.21573300
 C                  0.83722100   -0.14955000    1.04552300
 C                  1.00034900    0.38692800   -0.23324300
 C                  0.71256300   -0.39424100   -1.35194400
 C                  0.22984100   -1.69681500   -1.20072500
 H                  1.06449200    0.44125000    1.92728000
 H                  0.87247500   -0.02275400   -2.35806200
 C                  1.50987800    1.77224400   -0.36095200
 H                  2.22955000    2.06576400    0.39781200
 H                  2.19306900    3.34863300   -1.69829900
 H                  0.97342400    2.20885700   -2.43801100
 C                  0.35674200    3.03705200   -0.45814600
 C                 -0.99806300    2.64289600   -0.64670300
 C                  0.65225700    4.14735000    0.38253300
 C                 -2.01071200    3.34420900   -0.03094300
 H                 -1.22876300    1.78551100   -1.27199000
 C                 -0.36878200    4.83482900    1.00368200
 H                  1.68575000    4.45081100    0.52618900
 C                 -1.69426700    4.43316500    0.79428400
 H                 -3.04496100    3.05585700   -0.17837300
 H                 -0.14918500    5.68022100    1.64525100
 H                 -2.49674700    4.97423700    1.28630000
 C                  1.43135900    2.59448200   -1.53317000
 N                 -0.45617300   -3.57992300    0.25241100
 O                  0.27694100   -4.36582000    0.81773500
 O                 -1.56978200   -3.78436000   -0.19056600
 C                  0.19381800   -1.96348900    2.54608100
 N                  0.04717100   -2.31046600    3.64043500
 C                 -0.05905600   -2.47048200   -2.37526100
 N                 -0.26534400   -3.04534100   -3.35840000
*

