%nproc=32 
%mem = 60GB 
%chk=Cl6F_isomer_72_0.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_72_0 opt 
 
-1 1
C       -0.31132200      -0.63765900      -0.00000100
C        0.31132200       0.63765900      -0.00000100
C       -1.71644200      -0.71093900      -0.00000000
C        1.71644200       0.71093900      -0.00000000
C       -0.52146500       1.77335100      -0.00000100
C        0.52146500      -1.77335100      -0.00000100
C        2.46286800      -0.42077300       0.00000000
C       -2.46286800       0.42077300       0.00000000
C       -1.87052500       1.68067100      -0.00000000
C        1.87052500      -1.68067100      -0.00000000
F        2.32742900       1.87410200       0.00000000
F       -2.32742900      -1.87410200       0.00000000
F       -0.02449800      -2.97179900       0.00000100
F        0.02449800       2.97179900       0.00000000
F       -3.77499300       0.33620100       0.00000000
F        3.77499300      -0.33620100       0.00000100
H       -2.48277100       2.56707900       0.00000000
H        2.48277100      -2.56707900       0.00000000
Cl       2.48277100      -2.56707900       2.80000100