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

* xyz 1 1
 C                  0.18814600   -2.40049000    0.01603300
 C                  1.04948000   -1.79237100    0.99939500
 C                  1.36995900   -0.47906500    0.90792500
 C                  0.87970800    0.36045200   -0.16097600
 C                 -0.00095300   -0.25948200   -1.12330200
 C                 -0.33622100   -1.56954000   -1.04209500
 H                  1.42935500   -2.38316000    1.82271300
 H                  2.01620100   -0.03429800    1.65902900
 H                 -0.40333700    0.33149800   -1.93821600
 H                 -0.98811800   -2.00122900   -1.79044300
 C                  1.27162700    1.66773500   -0.22381100
 H                  1.93775800    2.02291600    0.56273800
 H                  1.78782600    3.11507900   -1.66036800
 H                  0.26320900    2.30782400   -2.02216800
 C                  0.13967400    3.81804800   -0.47289500
 C                 -1.14244100    3.58497000    0.03232700
 C                  0.73823100    5.06306700   -0.27579200
 C                 -1.82330900    4.59081700    0.71209100
 H                 -1.61658300    2.61712100   -0.11413600
 C                  0.05765400    6.06897100    0.40630300
 H                  1.73301700    5.25518500   -0.66859000
 C                 -1.22302700    5.83436800    0.90095900
 H                 -2.82201500    4.40550400    1.09359600
 H                  0.52673900    7.03721800    0.54580300
 H                 -1.75395300    6.61967800    1.42858600
 C                  0.87493400    2.70700700   -1.21053800
 N                 -0.11259500   -3.68626000    0.07864500
 C                 -1.04248200   -4.37271700   -0.84270700
 C                  0.45308700   -4.62732900    1.06752400
 H                 -1.97102600   -3.80563900   -0.93672500
 H                 -0.57395900   -4.45683400   -1.83001800
 C                 -1.24964000   -5.74219900   -0.19682500
 H                  1.53186400   -4.48221100    1.15336500
 H                 -0.00929500   -4.44517900    2.04460000
 C                  0.08094100   -6.00098600    0.51269100
 H                 -2.06691200   -5.69542600    0.52934000
 H                 -1.49760000   -6.50432500   -0.93658300
 H                  0.83854500   -6.33371500   -0.20344400
 H                  0.00849700   -6.75085200    1.30144400
*

