#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod6Frz.gbw" end

* xyz 1 1
  C           0.01704724853380     -3.41273550446783      0.27456359684339
  C           0.86079908372888     -2.83970030454452      1.26389672008238
  C           1.26993004034660     -1.55529636905490      1.12696282559487
  C           0.86875218745271     -0.76033877091286     -0.00198408372517
  C           0.01445012493003     -1.36713783606919     -0.97979703968944
  C          -0.40388141279512     -2.65476804880180     -0.85236714618318
  H           1.15273003383545     -3.45529333533120      2.10522843558134
  H           1.91330668714849     -1.10578187803757      1.87561689444087
  H          -0.30768307315236     -0.79161044549854     -1.83823952357366
  H          -1.04762342594843     -3.09534477976402     -1.60021166447350
  C           1.31547922833706      0.53024910458703     -0.09890346806420
  H           1.95197995958855      0.88871631165163      0.70870310309170
  H           1.94956949957127      1.94297259137911     -1.50591831667650
  H           0.46191765904036      1.12126704087391     -1.98047589477627
  C           0.21031420498621      2.66745084257904     -0.48344512075477
  C          -1.11218151081993      2.46089740000630     -0.10167400808612
  C           0.81000215898657      3.90172279140721     -0.25411224133176
  C          -1.83582606711234      3.49034424808669      0.48471981885047
  H          -1.58574733088420      1.49844324028769     -0.27292214160177
  C           0.08638806176021      4.93008299108346      0.33394502564380
  H           1.84037478284493      4.06775667094539     -0.55170492466305
  C          -1.23679013335069      4.72564856673432      0.70251625008772
  H          -2.86894706923913      3.32950579540923      0.77033451628578
  H           0.55502243324812      5.89342580003426      0.49805300661811
  H          -1.80345907537926      5.52914432907880      1.15843782149678
  C           1.00276102237049      1.54036395127815     -1.13288772396704
  O          -0.32707505995659     -4.65573070897408      0.48515956535650
  C          -1.17989638206994     -5.34946175316303     -0.45270225527483
  H          -2.14742953485619     -4.85022836170834     -0.51767035310166
  H          -0.69587768501213     -5.40245960985714     -1.42866276194048
  H          -1.30001719613345     -6.34663524923726     -0.03945796209031
*

