#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm3Frz.gbw" end

* xyz 1 1
  C          -0.97649085126934     -2.52823178472021      1.32409245736621
  C          -0.01062302834416     -2.67811895294719      0.33540454128316
  C           0.78905052810094     -1.60957811088427     -0.03415269463977
  C           0.62678564209506     -0.37868071103128      0.59462012493430
  C          -0.35041780606067     -0.21942046838661      1.57051737804271
  C          -1.14496506529484     -1.29747541927188      1.94073480350800
  H           1.54631454308900     -1.74370239139509     -0.79770873886144
  H          -0.48506337269806      0.74122425853559      2.05832599051150
  H          -1.89655363072598     -1.17686381492734      2.71155108694250
  C           1.50698642978451      0.80142556903335      0.19413886070999
  H           1.87487088250901      1.32899751424723      1.07219116476308
  H           2.37137433810836      0.42090077836364     -0.36068462657886
  H           0.45578712571301      1.20339401005460     -1.65867216643540
  C           0.29499569063009      2.96152245899625     -0.50421216307471
  C          -0.47814042389753      3.57785175804604     -1.53143270354477
  C           0.58326244639389      3.69219275095747      0.68549064984512
  C          -0.93862581512495      4.86267836650223     -1.37709541517724
  H          -0.69571960759992      3.01656123291394     -2.43382331765998
  C           0.11676154940651      4.97320072897659      0.82837933962890
  H           1.16966369775458      3.23804968253528      1.47369783023067
  C          -0.63961720537069      5.55260613006892     -0.20000971187654
  H          -1.52562411619174      5.33756478085457     -2.15307435537274
  H           0.32916249952571      5.53979199701463      1.72637049678387
  H          -1.00297811705879      6.56772063466725     -0.07665512202033
  C           0.74081358379629      1.66785690847357     -0.71512936922614
  C           0.16829395595293     -4.03394799095399     -0.31031462402587
  F           1.00222367958380     -3.98081343252760     -1.36293186399068
  F          -1.00656803486751     -4.51942289605087     -0.74502434922700
  F           0.67156651551700     -4.92145923384988      0.56302357719488
  H          -1.59476342345654     -3.37194046329494      1.60770779996659
*

