#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm1Frz.gbw" end

* xyz 1 1
  C          -0.71742177834390     -3.62277911876830      0.11442587717923
  C           0.49849545667425     -3.57114921273161     -0.56783652462940
  C           1.26617309039626     -2.41840208629960     -0.57281096277689
  C           0.83693819224608     -1.29089304632965      0.12184688790315
  C          -0.38444984159453     -1.32070715474663      0.78737704001409
  C          -1.14634291031609     -2.48015006523312      0.78864646647085
  H           0.85067653264384     -4.44892700904046     -1.09916450729610
  H           2.21325300237632     -2.40412901627991     -1.10258450660354
  H          -0.74090559301393     -0.44395340658350      1.32029177119030
  H          -2.09146915904905     -2.49762433945944      1.32062750045535
  C           1.68278258255018     -0.02193858450034      0.12588545344193
  H           1.83731930342047      0.34315767127641      1.14015653305254
  H           2.66220838445972     -0.25862773192302     -0.30215752369544
  H           1.02147697079201      0.71206748200183     -1.80159549577043
  C           0.39703721554088      2.14547090840524     -0.38152508050471
  C          -0.20567987684384      2.92271829273027     -1.41069986490474
  C           0.32591279869111      2.59790661297277      0.96644377628056
  C          -0.84631543189341      4.09995767801794     -1.10666814071059
  H          -0.15064544263464      2.57142597686912     -2.43547340060507
  C          -0.31927131379167      3.77283891638358      1.25849472517187
  H           0.77816648399148      2.01589432422729      1.75897744046016
  C          -0.90029959221999      4.51827223318930      0.22442483399004
  H          -1.30552117619453      4.69691297153615     -1.88451359204350
  H          -0.38070842916817      4.12759308939563      2.27973888656039
  H          -1.40686220810769      5.44698139076433      0.46604583137692
  C           1.03911415754721      0.96927939608674     -0.74309871579190
  C          -1.52991545628078     -4.88923645512834      0.14165425763984
  H          -2.58303609611629     -4.68056465426715      0.33421229697949
  H          -1.44914579246046     -5.42879359422675     -0.80335237344318
  H          -1.16929112330083     -5.55143536833879      0.93376529060880
*

