#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts17.gbw" end

* xyz 1 1
  C          -0.59603138903448     -3.22674575336406      0.08506431989580
  C           0.75048050442385     -2.79468447490101     -0.09134486042383
  C           1.02516407241285     -1.44503931368774     -0.11670765555826
  C          -0.01161539477874     -0.49906004759746      0.01960721403068
  C          -1.31831595690944     -0.92738066793044      0.20385532347786
  C          -1.60767745735246     -2.28547568117684      0.23761136477457
  H           2.04344065092495     -1.10173132046628     -0.24817682850127
  H          -2.12365888709721     -0.21922463424674      0.36075564392330
  H          -2.62702112316363     -2.60619578336557      0.39989696690462
  C           0.33987603807246      0.91737926390180     -0.02907125284417
  H           1.35376581083781      1.18940320511059      0.25707479317702
  H           0.26328164296215      1.36890357095867     -1.20548490187162
  H          -1.54805224913737      1.70104758678697     -0.61369547972256
  C          -0.29099303808981      3.39262916653331     -0.08661654935086
  C          -1.17319446976233      4.30324466267053     -0.68334615271960
  C           0.79480585304037      3.86327238759734      0.66571684155612
  C          -0.96020244679891      5.66407386217610     -0.55147930666134
  H          -2.02114078649682      3.93755817518603     -1.25326094664293
  C           1.00057274823189      5.22316398204762      0.79596790891955
  H           1.45956699619330      3.17232470818746      1.17099078020815
  C           0.12752849098830      6.12093741831221      0.18416162217670
  H          -1.64004294636695      6.36813238233874     -1.01544109626461
  H           1.83289770330822      5.59096191300984      1.38361367315270
  H           0.29248946017658      7.18682340087368      0.29346258476709
  C          -0.55813567506735      1.97847186399127     -0.25684517396036
  O          -0.77100857306378     -4.54838494740038      0.10444861113841
  O           1.65682266589057     -3.77864865628619     -0.21601068439322
  C          -2.09430049149552     -5.05505390741600      0.28543106938566
  H          -2.49963920400312     -4.74215681483931      1.25126230325887
  H          -2.74927355580805     -4.72560323578573     -0.52546222021202
  H          -1.99756082528756     -6.13757677008072      0.26198148119632
  C           3.02032510554219     -3.40593374191206     -0.38139984805481
  H           3.15763256561961     -2.82271808133425     -1.29731797151272
  H           3.37774946815842     -2.83821876570235      0.48331847531870
  H           3.57483287293005     -4.33809901218905     -0.45816997856792
*

