#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod11Frz.gbw" end

* xyz 1 1
  C          -0.08505134766727     -3.75536827856397     -0.93102656536157
  C          -0.63263255284549     -3.47823949359414      0.32705532307149
  C          -0.34845571448260     -2.26276883896419      0.91954783260983
  C           0.48668939653403     -1.32501678209827      0.25893340643769
  C           1.03158926893213     -1.63042704878400     -1.01734261153911
  C           0.73636214541639     -2.84102481339742     -1.59503851918959
  H          -0.76900396173912     -2.03335232182809      1.89215271057598
  H           1.66869723668627     -0.92211301851103     -1.52878611714642
  H           1.13787175874014     -3.09903353945696     -2.56709818156500
  C           0.74249173283631     -0.12215506597308      0.90771637288640
  H           0.26551722139899      0.01900608100833      1.87698064286429
  H           2.20658300066600      1.32108123785219      1.22787936359529
  H           2.11373783909141      0.79154207787091     -0.45683327381880
  C           0.56471829686648      2.18190923369714      0.15831322950788
  C          -0.29104177883007      2.13549584618033     -0.93850246342216
  C           0.53094359192967      3.27146850052472      1.02384775246522
  C          -1.15420233209446      3.19448485828739     -1.18646733176974
  H          -0.27591815177848      1.28216403540550     -1.61000858790317
  C          -0.33344589848809      4.32717989752290      0.77408383650751
  H           1.19524370498003      3.30687879406910      1.88106218591120
  C          -1.17595042274669      4.28899777084122     -0.33027863850084
  H          -1.81080238346868      3.16476877472582     -2.04808726709111
  H          -0.34510265074352      5.18272117228566      1.43910470897653
  H          -1.85014454172523      5.11468429453306     -0.52574436870499
  C           1.52183105045005      1.02331895327350      0.42696730266411
  H          -0.30430174601896     -4.70805840292238     -1.40552300337067
  O          -1.42883371413280     -4.33315625572751      0.99833673339302
  H          -1.56675947776645     -5.15057805825674      0.50591427791669
*

