#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000

* xyz 1 1
  C           0.23987206324781     -2.36189379821099     -0.01882910701921
  C           1.13708786133033     -1.76648387304256      0.93899476484332
  C           1.47650296556859     -0.46589306320440      0.83050813362043
  C           0.97670829318323      0.37460425475311     -0.23206602107868
  C           0.07882051552058     -0.23881746568185     -1.18150326973099
  C          -0.27798054844803     -1.53523062734778     -1.08356121929618
  H           1.52180124423155     -2.36195477608499      1.75442084941905
  H           2.14395638727061     -0.02209656700674      1.56160662211970
  H          -0.31711906665769      0.35409557438542     -1.99616441690505
  H          -0.94236268910846     -1.96887264747472     -1.81729441435822
  C           1.36193711677960      1.67589227127923     -0.28990893184986
  H           2.03473148339064      2.02577375755429      0.49090988336717
  H           1.83202080791974      3.18453230770983     -1.68124449349930
  H           0.34730146980640      2.31828758081896     -2.07846905410756
  C           0.14596966943806      3.77179853423849     -0.48743327676210
  C          -1.13934457704698      3.47514960075497     -0.04107468978721
  C           0.70169587696323      5.01314993626539     -0.19862464693335
  C          -1.86760732546099      4.41579618903105      0.67305112110894
  H          -1.57798665663889      2.50558860402660     -0.25900990985342
  C          -0.02575019643245      5.95462213150752      0.51875844017464
  H           1.70160689137858      5.25289371791541     -0.54612907781005
  C          -1.31012735253405      5.65744164209226      0.95490610424015
  H          -2.87135621612030      4.18161907787035      1.00885741657316
  H           0.41047720924380      6.92375196802872      0.73183208553783
  H          -1.87828434069652      6.39364279434030      1.51163760664202
  C           0.93633866456750      2.72261468575982     -1.25616776867506
  N          -0.10024350326373     -3.62825118892249      0.07308946890212
  C          -1.07082516808374     -4.30186018120383     -0.81725330847983
  C           0.44080432700110     -4.56619025960719      1.08091018727235
  H          -1.96689147501792     -3.69133273139793     -0.92647105667401
  H          -0.61500602604818     -4.44661409547972     -1.80085487977797
  C          -1.33850836797176     -5.63150037675850     -0.11703014884025
  H           1.52490349675560     -4.47074285544245      1.13791085169788
  H           0.00987256598899     -4.33033666077070      2.05810154802002
  C          -0.01106409564591     -5.93462516867804      0.57817878915442
  H          -2.13579535671367     -5.51068964837183      0.62029074593611
  H          -1.64110045589153     -6.40509200191677     -0.82159571782553
  H           0.71397358473178     -6.32596476488883     -0.13948204295058
  H          -0.10604307653692     -6.65266087683944      1.39167783358509
*

