#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm20Frz.gbw" end

* xyz 1 1
  C          -0.32542332958404     -1.93125435893508      0.03556254279283
  C           1.06169891108966     -1.94626662080756      0.10722430904237
  C           1.72644137280595     -0.77928519406006      0.45479785723894
  C           1.01945143228192      0.37982920038349      0.74337935124886
  C          -0.36556191895889      0.37691210107075      0.66340379372869
  C          -1.05019946784093     -0.77688998592641      0.30999201153744
  H           2.80816518692010     -0.79069721021480      0.50840306706597
  H          -0.93365485498053      1.27129637461450      0.89009198223002
  C           1.76067717966217      1.65357949846641      1.13349156518905
  H           1.34088023173309      2.08093785199618      2.04238765178520
  H           2.80943645800211      1.40675532110576      1.32708821640500
  H           2.25015888172137      2.24584058891592     -0.89998409103747
  C           1.06268286254471      3.79569503578638     -0.10929147663331
  C           1.13235128213868      4.49527125063755     -1.35320739254242
  C           0.31623605942569      4.36257011221033      0.96900317907033
  C           0.48824936203583      5.69682234138752     -1.51016643985694
  H           1.69968378533889      4.06042335849041     -2.16919942165643
  C          -0.32323660252705      5.56132996920177      0.79828963268350
  H           0.25544038203768      3.84754660681011      1.91913323260234
  C          -0.23561502953987      6.22242759351574     -0.43632074518637
  H           0.53523916180498      6.23258855394063     -2.44981453813164
  H          -0.89345154080843      6.00217237410199      1.60638226178719
  H          -0.74676902707391      7.17187400919794     -0.55981251331533
  C           1.72190602032170      2.58748270979750     -0.01041190863484
  C           1.88620650200532     -3.19855670947127     -0.16864836664692
  F           3.15049749785145     -2.85989899376455     -0.47923712370537
  F           1.39134721603821     -3.89579501498157     -1.19593098477272
  F           1.93184094921109     -3.99006369679315      0.90497272416015
  C          -2.56989265331290     -0.71632164708286      0.22153051720769
  F          -3.03514809389971      0.31015063181167      0.95996363139968
  F          -3.14075084732371     -1.83242698359478      0.67767627098698
  F          -2.96957275290390     -0.51280638530716     -1.03843962522075
  N          -1.04985133494318     -3.16761925942407     -0.34808846170202
  O          -1.58457177164674     -3.15162114128477     -1.43155563697641
  O          -1.03474142962683     -4.06590080179453      0.45802289785671
*

