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

* xyz 1 1
  C           0.02247588599546     -2.43681839969069     -0.10440746605533
  C           1.38970976097116     -2.15822909333698     -0.46954047146454
  C           1.96384407743355     -0.96934788753775     -0.19046226162811
  C           1.24789355406731      0.10298402193543      0.44750093445765
  C          -0.13914132460049     -0.14924914419359      0.75485137668525
  C          -0.70500874281740     -1.33688905634386      0.49679480051378
  H           1.98142463322370     -2.93728673524314     -0.92542389878793
  H           3.00880588431547     -0.81367246834869     -0.43910530143322
  H          -0.75571129182830      0.64434166784932      1.16172004178061
  C           2.04652710502037      1.06740528496790      1.36396441770819
  H           1.50132408513734      1.39371444365025      2.23952470681827
  H           3.07556063895824      0.78393679800343      1.54139680029515
  H           2.42333099537756      1.57817387087316     -0.71180686649852
  C           0.57156063279794      2.58614481597090     -0.13558254829994
  C          -0.08499073150384      2.64760627405750     -1.36463480912430
  C           0.20826486528998      3.46585143740900      0.87832120748360
  C          -1.10039395476331      3.56746623831995     -1.57067919209910
  H           0.20221805265490      1.96918076849340     -2.16223632220907
  C          -0.80975556460482      4.39032199308381      0.67079839801137
  H           0.73095501483467      3.45258663444278      1.82821159266163
  C          -1.46700706338711      4.43926361139995     -0.54980590457647
  H          -1.60545163490946      3.60949576891102     -2.52878597324335
  H          -1.08152921544336      5.07775187535433      1.46344506817147
  H          -2.25908904681925      5.16116422812282     -0.71145640808014
  C           1.65729348191052      1.58160147689319      0.05577418913887
  N          -0.50901839323168     -3.62331357139149     -0.33098142385937
  C          -1.77651785855976     -4.10105922400725      0.25325908825234
  C           0.19707910597915     -4.61870563647777     -1.15001669009074
  H          -1.69477295721119     -5.18137703843637      0.35805827647655
  H          -1.93777948095006     -3.66956973107686      1.23477319473809
  H          -2.61718278157389     -3.86334639359824     -0.39944317837119
  H          -0.53540986573082     -5.33960942049300     -1.50570281026839
  H           0.65767035304115     -4.14744947141937     -2.01612358482214
  H           0.95422661253035     -5.14183380773089     -0.56080664430762
  F          -2.01969083160412     -1.49284713041219      0.73349266202662
*

