%nproc=32 
%mem = 60GB 
%chk=Cl5F_isomer_57_1.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 
 
Cl5F_isomer_57_1 opt 
 
-1 1
C        0.03792500       0.84958800       0.00000000
C        0.41593800      -0.50884300       0.00000000
C       -0.55444800      -1.52595700       0.00000000
C        1.01498600       1.85944900       0.00000000
C       -1.33528600       1.14141600       0.00000100
C        1.78717500      -0.80150000       0.00000000
C       -1.86111100      -1.18145000      -0.00000100
C        2.33305900       1.53137500      -0.00000000
C       -2.27049700       0.16038800       0.00000000
C        2.71443200       0.18882600       0.00000000
F       -1.72303100       2.39838800      -0.00000100
F        2.16992300      -2.06252700       0.00000000
F       -2.80645200      -2.09437600      -0.00000000
F       -3.55117100       0.44311700       0.00000000
F        3.99573500      -0.11678100      -0.00000000
H       -0.27095800      -2.56457200      -0.00000000
H        0.70699500       2.89147400       0.00000000
H        3.10588900       2.28295600      -0.00000000
Cl       1.38391917       0.51981583       2.70000100