%nproc=32 
%mem = 60GB 
%chk=Cl6F_isomer_69_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 
 
Cl6F_isomer_69_1 opt 
 
-1 1
C        0.49429400       0.70945200      -0.00000100
C        0.49429400      -0.70945200      -0.00000100
C       -0.73890200      -1.38488400      -0.00000100
C        1.73808300       1.37109000      -0.00000000
C       -0.73890200       1.38488400      -0.00000100
C        1.73808400      -1.37109000      -0.00000100
C       -1.90854900      -0.69889000      -0.00000000
C        2.91093300       0.69913900       0.00000000
C       -1.90854900       0.69889000      -0.00000000
C        2.91093300      -0.69913900       0.00000000
F       -0.79155500      -2.69607300       0.00000000
F        1.75840800       2.69051600       0.00000100
F       -0.79155500       2.69607300       0.00000000
F        1.75840800      -2.69051600       0.00000100
F       -3.05672900      -1.32696200       0.00000000
F       -3.05672900       1.32696200       0.00000100
H        3.83371500       1.25549400       0.00000100
H        3.83371500      -1.25549400       0.00000100
Cl       3.83371500       0.00000000       2.00000100