#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm4Frz.gbw" end

* xyz 1 1
  C           0.12206224728996     -2.74407296712862      0.13531800460479
  C           1.36242061542762     -2.49593076077061     -0.43520076833714
  C           1.90936512370658     -1.22368807878925     -0.35948613275711
  C           1.22190341156054     -0.20613970714874      0.29344411788080
  C          -0.02763870014031     -0.45790282596389      0.85237154507037
  C          -0.57536193767680     -1.72964971445699      0.77990426391144
  H           1.90405893004829     -3.29433559922332     -0.92679827648856
  H           2.88518513487121     -1.03305764751241     -0.79316109474016
  H          -0.57143123629889      0.33145408012881      1.36182227559907
  H          -1.53970428634086     -1.93569133914576      1.22795351690366
  C           1.82752479766272      1.19135888391211      0.38051543447500
  H           1.79701681603792      1.56715526405119      1.40177270881691
  H           2.87595729901482      1.13727125234571      0.06858499499621
  H           1.23935055134439      1.78698830350203     -1.61931937140309
  C           0.30236218805414      3.14637859947762     -0.30668409426999
  C          -0.30655151080736      3.81020614578276     -1.41207264737018
  C           0.04853372641474      3.61629371304823      1.01536441857985
  C          -1.12662678017045      4.89238747845108     -1.20550461479509
  H          -0.11166431617822      3.44671074460309     -2.41534612993389
  C          -0.77345032857041      4.69602234326828      1.20867896253408
  H           0.50334147368107      3.12232931445719      1.86424952893745
  C          -1.35569483549183      5.32895336636233      0.10147115572744
  H          -1.59193601082033      5.40211688375103     -2.03969791506178
  H          -0.97454427846465      5.06354508029353      2.20718187370844
  H          -2.00396261980250      6.18355987113317      0.26613735346982
  C           1.12456507512184      2.06499923163687     -0.57210173668721
  C          -0.50565803539122     -4.11555313562199      0.01782186592608
  F          -1.23201076533951     -4.41846898286564      1.10548548093221
  F           0.41902005010049     -5.07345738430791     -0.14074536038238
  F          -1.33134366884301     -4.16931835326989     -1.04446367984702
*

