#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod2Frz.gbw" end

* xyz 1 1
  C          -0.00968179026608     -3.42457210945090     -0.04625779979464
  C           0.56438362125340     -2.94707549546219      1.14028235328598
  C           1.00108296272559     -1.65093276980651      1.18013360873277
  C           0.87992962377844     -0.80061784718267      0.04046809851401
  C           0.28915135509241     -1.32481154274961     -1.14809316123842
  C          -0.14968244217627     -2.61788839143925     -1.18990207665102
  H           0.65075617742579     -3.60330244839863      1.99633151560944
  H           1.44699220664464     -1.25494355792544      2.08613905252025
  H           0.18486795650618     -0.69824388594053     -2.02438436586082
  H          -0.60012288637055     -3.03450498088637     -2.08136259617233
  C           1.34523334819399      0.49709989991820      0.13713397316785
  H           1.76808714238208      0.79235286812596      1.09659407336439
  H           2.28843740438805      2.00275647136008     -0.95282755593773
  H           0.99563612156241      1.20524439143022     -1.85500190310319
  C           0.32833919638245      2.64547173319616     -0.37620567146434
  C          -1.04329103359750      2.40821407878615     -0.37379356586947
  C           0.82527428255335      3.85784952262401      0.09287217125963
  C          -1.91554027387000      3.39384775008282      0.06830308582630
  H          -1.43622426728029      1.46109320898276     -0.73180390683871
  C          -0.04826954204718      4.84064379309860      0.53558911586908
  H           1.89428855300348      4.04424805568681      0.09268497918735
  C          -1.41815958314814      4.60932721439053      0.52325878470064
  H          -2.98409728731251      3.21346119720219      0.05694597373763
  H           0.34086863799204      5.79003797101686      0.88430854862999
  H          -2.10048910669491      5.37809915098719      0.86664928106792
  C           1.28740850928896      1.56704329745400     -0.87013586871186
  Cl         -0.55668439640981     -5.03199743510052     -0.10773521383071
*

