%nproc=32 
%mem = 60GB 
%chk=Cl6F_isomer_71_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_71_1 opt 
 
-1 1
C       -0.17578000      -0.70476800      -0.00000000
C       -0.17578000       0.70476800      -0.00000000
C        1.05294600       1.37953600      -0.00000000
C       -1.39794800      -1.39947700      -0.00000000
C        1.05294600      -1.37953600      -0.00000000
C       -1.39794800       1.39947700       0.00000000
C        2.22630400       0.70105900      -0.00000000
C       -2.55521700      -0.70202100      -0.00000000
C        2.22630400      -0.70105900       0.00000000
C       -2.55521700       0.70202100       0.00000000
F        1.06531300       2.69648400      -0.00000000
F        1.06531300      -2.69648400       0.00000000
F       -3.71731200      -1.31630300       0.00000000
F        3.37623800       1.32870900       0.00000000
F       -3.71731200       1.31630300      -0.00000000
F        3.37623800      -1.32870900      -0.00000000
H       -1.41998500      -2.47639800      -0.00000000
H       -1.41998500       2.47639800       0.00000000
Cl      -1.41998500       3.47639800       0.00000000