#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts15.gbw" end

* xyz 1 1
  C          -0.12157022426269     -3.66652322786403      0.02724575285085
  C           1.15357805674738     -3.14682138811475     -0.17186443838738
  C           1.36212525290941     -1.78350955291113     -0.20226189402793
  C           0.27410582416867     -0.92023783258636     -0.03617840887596
  C          -1.01291301377827     -1.42845362650658      0.17631340336753
  C          -1.19494086343948     -2.79291123805517      0.20343258581850
  H           2.36834894800426     -1.41260690086224     -0.35897172236091
  H          -1.87367558810193     -0.79556576748269      0.35096289686191
  C           0.53845892370523      0.50995015346450     -0.07790705715205
  H           1.57523789723713      0.82049224049092      0.03120327985363
  H           0.19671965425623      1.06700258524576     -1.26615424483431
  H          -1.44076912230220      1.22538309127498     -0.40623531183766
  C          -0.16629096965552      2.96734939165437     -0.08066711067200
  C          -1.13024174372234      3.84878808708915     -0.57974260777999
  C           0.97788157742502      3.46557615040758      0.55213016282420
  C          -0.94225728627232      5.21614485477797     -0.46735282214627
  H          -2.02384462678806      3.46107972615792     -1.05824702495765
  C           1.15832820056084      4.83202387135665      0.66411406062320
  H           1.71304006759148      2.79656678601171      0.98524192903016
  C           0.20256436529265      5.70536538295608      0.15034734529574
  H          -1.68760799550261      5.89930489164376     -0.85589186135515
  H           2.03754571403550      5.22150413017007      1.16283117356284
  H           0.34807596000660      6.77536583112897      0.24440211807614
  C          -0.41144278496004      1.53234245154062     -0.23360807220472
  F          -2.39981037776307     -3.30726081065048      0.41167718806626
  F          -0.31358996398546     -4.96767639565438      0.06322712971408
  F           2.16658190859361     -3.98811774468326     -0.32909912935308
*

