#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts22.gbw" end

* xyz 1 1
  C           0.09209055177483     -2.65924677510390     -0.01428412077761
  C           1.36799180100574     -2.06738312737290     -0.18980177374518
  C           1.50460142544651     -0.70195747398949     -0.22646635724237
  C           0.39881375336160      0.15121143286532     -0.09600935221835
  C          -0.86424188092079     -0.42994254074996      0.09065167984048
  C          -1.02256359769851     -1.79234211086448      0.13307073826448
  H           2.24643334242730     -2.69125232433706     -0.27826120650364
  H           2.49549689349152     -0.27730878997615     -0.35786423684570
  H          -1.74329582395039      0.19077479269091      0.23040199310762
  H          -2.01001360574490     -2.20533157131434      0.28571416264177
  C           0.61467607504769      1.59231991770873     -0.17250500682995
  H           1.61988316876277      1.94298589291996      0.05242497858684
  H           0.44218369840821      1.99803123415301     -1.31978981162042
  H          -1.38544476146126      2.23879913898064     -0.53022187728542
  C          -0.22278792054427      4.00469646295594     -0.07629895565272
  C          -1.24938437760403      4.85011632946439     -0.52451338817819
  C           0.90986011201551      4.55520879618320      0.54530341098246
  C          -1.13669486566525      6.22048547819748     -0.37643838165068
  H          -2.13029004464072      4.42331509898859     -0.99280807590030
  C           1.01566138039108      5.92409835193100      0.69134902483880
  H           1.69162982133280      3.91478582963307      0.93607642388838
  C          -0.00345418475273      6.75462451958002      0.22722218253528
  H          -1.92795571884970      6.87253779871733     -0.72551309530809
  H           1.88438681798905      6.35158277396611      1.17708748178166
  H           0.08441107538295      7.82835678124597      0.34883752080451
  C          -0.39176001790252      2.58371740182500     -0.25200656414721
  N          -0.05708780100096     -3.99454044292111      0.02538937961566
  C          -1.32718174038804     -4.66866906946633      0.30728303469078
  C           1.03646994173230     -4.94341751484015     -0.19972675337327
  H          -1.81173795251793     -4.22872500147294      1.18191376388102
  H          -2.00701614810372     -4.57624367038171     -0.54777008282996
  C          -0.91454614135382     -6.12106029255365      0.54339720550955
  H           1.60141773953391     -4.67439531396491     -1.09509457496887
  H           1.72328299150280     -4.94435706026183      0.65481366741124
  C           0.31901515793213     -6.28455276449206     -0.34638316590676
  H          -0.64345988045825     -6.26230348093081      1.59271512981885
  H          -1.71473636122049     -6.82034491393674      0.30198714531810
  H           0.01697146703573     -6.43059670851663     -1.38658438710537
  H           0.95116361020386     -7.12308408455950     -0.05517775542740
*

