#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod21Frz.gbw" end

* xyz 1 1
  C           0.05642967074622     -2.75634783466228     -0.00941366385521
  C          -0.19327478890930     -2.27886871065968      1.27204766669144
  C           0.12185477404510     -0.98065193584439      1.59394656735263
  C           0.70668499112719     -0.14814230451480      0.60680919196958
  C           0.96162887253798     -0.64182605724319     -0.69736400792883
  C           0.62896593337681     -1.93995414180475     -0.98511933135078
  H          -0.07931868433334     -0.61128724115212      2.59273157871909
  H           1.40762833721030     -0.02956221592604     -1.46939252455889
  C           1.02291970381238      1.16412939733919      0.97393444462801
  H           0.77687786660512      1.45263299144244      1.99519850684613
  H           2.39250912375480      2.69876795547194      0.69662674108605
  H           1.97457504892165      1.86448861233699     -0.80573232706614
  C           0.48876701632393      3.27815130779786     -0.08896493839167
  C          -0.56653273497527      3.00516951364943     -0.95530410761177
  C           0.54198925979722      4.49047540101216      0.59401479781034
  C          -1.54515048503292      3.96616384490002     -1.17123498968773
  H          -0.61785259621774      2.05542601866985     -1.47928589476207
  C          -0.43861849516337      5.44608892010243      0.37661367154287
  H           1.36148074031606      4.69937032300450      1.27369651255260
  C          -1.48173677162280      5.18384481893742     -0.50440874313683
  H          -2.35785946616008      3.76325953674352     -1.85859523721172
  H          -0.38579499915756      6.39866307372466      0.89038394731592
  H          -2.24717119925845      5.93206695668230     -0.67381449821838
  C           1.57527634161828      2.22737777845136      0.14010499876301
  N          -0.28989634378153     -4.14930859279192     -0.34576394486494
  O           0.57344642930682     -4.96199918560704     -0.13298939574855
  O          -1.39613254299333     -4.31133324775523     -0.79500147553957
  F           0.84192472461594     -2.44870631448664     -2.18690353734745
  F          -0.73709766651012     -3.09120398781802      2.16155062200282
*

