%nproc=16 
%mem = 60GB 
%chk=Cl2F_isomer_5.log.chk 
#P opt EmpiricalDispersion=GD3BJ integral(grid=ultrafinegrid) GFInput pop=full IOP(3/74=-78) IOP(6/7=3) IOP(3/5=10) IOP(3/175=01217700) IOP(3/177=414500) IOP(3/178=4859300) SCF=YQC 
 
Cl2F_isomer_5.log opt 
 
-1 1
  F     -2.329479     1.337921    -0.791715
  C     -1.173401     0.673955    -0.792054
  C      0.000000     1.383498    -0.785516
  C      1.195022     0.697112    -0.785513
  C      1.173401    -0.673955    -0.792054
  F      2.329479    -1.337921    -0.791715
  C     -0.000000    -1.383498    -0.785516
  C     -1.195022    -0.697112    -0.785513
  H     -0.027296     2.459551    -0.738257
  H      2.138295     1.215678    -0.738461
  H      0.027296    -2.459551    -0.738257
  H     -2.138295    -1.215678    -0.738461
  Cl     0.000000    -0.000000     2.680076