#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod15Frz.gbw" end

* xyz 1 1
  C          -0.02026083244520     -3.36627481018516     -0.09665831922015
  C           0.30109680715765     -2.89029889596407      1.18191602621103
  C           0.72916402975072     -1.60157643102447      1.34297479693586
  C           0.85084857131396     -0.75323077080553      0.20714905567198
  C           0.52487514989133     -1.24312297890871     -1.08808917765187
  C           0.09538569631009     -2.53145947522451     -1.22271943134652
  H           0.97138914791027     -1.23975752150062      2.33557917691340
  H           0.60648435287436     -0.62397206210099     -1.97138321058124
  C           1.29412453926623      0.54602649167453      0.41460128054110
  H           1.50486139957658      0.82746662035703      1.44539822875639
  H           2.43496799259029      2.07419592401094     -0.41763945284380
  H           1.39651129670327      1.26674890182985     -1.59776777569400
  C           0.38542341296204      2.68258970744473     -0.29970905103125
  C          -0.94322250807617      2.43300922432944     -0.63179809472716
  C           0.74131934861551      3.88637055496144      0.30185150529810
  C          -1.90777926617310      3.40325184069016     -0.39541542269127
  H          -1.22695249958810      1.49146664542044     -1.09278396899271
  C          -0.22520020176269      4.85262327024956      0.53847851313212
  H           1.77635666371273      4.08008776834404      0.56371668203754
  C          -1.54884444144445      4.61141996039276      0.19043188852645
  H          -2.93962294428811      3.21616490763628     -0.66848824190107
  H           0.05626457066852      5.79707528415327      0.98906984506632
  H          -2.30303226150685      5.36773914634210      0.37383571958809
  C           1.44969767816853      1.62130763752249     -0.56939502956264
  F           0.17450284420737     -3.71653175760754      2.20649504930792
  F          -0.43091616770088     -4.59249450219330     -0.24596075919164
  F          -0.22380433869393     -3.03829903984419     -2.40190653255099
*

