#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod16Frz.gbw" end

* xyz 1 1
  C           0.10611834202883     -3.54976835297330      0.44445366391389
  C           1.20300510025109     -2.97879257618189      1.10992442059096
  C           1.56218408201187     -1.70013481874055      0.80386544810880
  C           0.84824484819265     -0.93854366385960     -0.17640287653570
  C          -0.27224655736198     -1.54359111200135     -0.84243768664977
  C          -0.63196088652877     -2.81431733846331     -0.53980981510092
  H           1.72895499313964     -3.57257902476216      1.84652582241856
  H           2.40441618270558     -1.23733377144764      1.30585458499223
  H          -0.82865780362193     -0.98480099283221     -1.58514545787664
  C           1.27242718549981      0.33914409277301     -0.43196256082037
  H           2.12598709338415      0.69329145440442      0.14301816057251
  H           1.48371245210098      1.72140152634607     -1.98931827717511
  H          -0.08415015614215      0.91186748547678     -1.99504397239234
  C           0.12312916976756      2.48551606285588     -0.51926140994212
  C          -1.01627154175056      2.29425881883211      0.25730998930540
  C           0.75791443670440      3.72345455351428     -0.52064869784294
  C          -1.52981400362586      3.34237208167878      1.00885963373962
  H          -1.51301585808978      1.32830575237887      0.26905599822853
  C           0.24448926005840      4.77064841877131      0.23218192807859
  H           1.64615559533744      3.87693117885208     -1.12491438617528
  C          -0.89966065558943      4.58134080676333      0.99613751364086
  H          -2.42316504765594      3.19320623722218      1.60419477024904
  H           0.73571310260920      5.73659179527409      0.21696341195544
  H          -1.30247978486363      5.39943062776214      1.58181084270305
  C           0.68339200281323      1.33746711174808     -1.34936548618507
  O          -0.24561767420141     -4.77820866719381      0.73270227529644
  H          -1.01475252303465     -5.04357700301140      0.19921736466178
  O          -1.65583795346164     -3.52698477046640     -1.07169225354836
  H          -2.13561042067711     -3.03161197271977     -1.74498867821109
*

