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

* xyz 1 1
  C          -0.17990690161331     -2.85748294762659     -0.09990690710434
  C           1.10179801832366     -2.30372505598184      0.28051525010263
  C           1.44558092574027     -1.03287867767639      0.01416408866139
  C           0.55007908116109     -0.14287045583840     -0.67929262721826
  C          -0.71475838780793     -0.68950767875299     -1.08994015118280
  C          -1.05336537560889     -1.97102666009811     -0.83090149193412
  H           2.43091914274738     -0.68949484144483      0.30889104703592
  H          -1.42369457462774     -0.05848318481583     -1.60993217275001
  H          -2.02453282682615     -2.33124395206106     -1.13462479139697
  C           0.93371804108058      1.13981050108293     -0.92272794868354
  H           1.91461006740417      1.43909027252774     -0.55828644187214
  H           0.76418099783765      2.64368969491593     -2.38439182471582
  H          -0.77834955485119      1.87406910105167     -2.00616392708078
  C          -0.09155837512061      3.29917662703717     -0.52556774179460
  C          -1.04383910371935      3.08290763078197      0.46710609415108
  C           0.64458086747391      4.47893032152061     -0.52487167880281
  C          -1.27023757670936      4.04472908196904      1.44133143724336
  H          -1.61935370652731      2.16163071631863      0.47494930239678
  C           0.42066509751891      5.44065527438133      0.45206777938382
  H           1.38609852749590      4.65588421974969     -1.29750765572743
  C          -0.53621410186983      5.22487545965172      1.43526967397831
  H          -2.02071178693592      3.87503743595365      2.20486784313264
  H           0.99067452219940      6.36248590868161      0.44077181892074
  H          -0.71290476373662      5.97740867179750      2.19496840051985
  C           0.15827254506951      2.22537590435243     -1.57540143468658
  N          -0.55378671847314     -4.09267124664739      0.18043339810571
  C           0.12312957229068     -4.97371245971215      1.15070582007757
  C          -1.76089883196830     -4.66888317597373     -0.42882739186745
  H          -0.63023038049707     -5.64829579738293      1.55304056754637
  H           0.90667446284997     -5.55545411551853      0.66380327382325
  H           0.54403175659153     -4.39848188942518      1.96780370031192
  H          -1.68200109545538     -5.75178161707769     -0.36754143777646
  H          -2.65855783890959     -4.34685644524531      0.10468214848815
  H          -1.83111938241298     -4.39301944318126     -1.47924160550752
  F           2.00416065788607     -3.10981017731342      0.86416158622214
*

