%nproc=32 
%mem = 60GB 
%chk=Cl4F_isomer_45_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 
 
Cl4F_isomer_45_1 opt 
 
-1 1
C        0.39966800       1.01534400      -0.00000100
C        0.37725600      -0.39913000      -0.00000100
C       -0.86412100      -1.06109000      -0.00000100
C        1.62200800       1.70940600       0.00000000
C       -0.83238600       1.68974500      -0.00000100
C        1.62395500      -1.05399700       0.00000000
C       -2.01833600      -0.34837300       0.00000000
C        2.79356600       1.02328700       0.00000000
C       -2.02064000       1.04679100      -0.00000000
C        2.79692300      -0.37755200       0.00000000
F       -0.92894600      -2.37503100       0.00000000
F       -0.81209100       3.01193400       0.00000100
F        1.65051400      -2.37337200       0.00000000
F       -3.17315600      -0.98064200       0.00000100
H        1.60769100       2.78620000      -0.00000000
H        3.73299400       1.55252400       0.00000000
H       -2.95288200       1.58643100       0.00000000
H        3.71795700      -0.93775300       0.00000000
Cl       6.40222933       0.30738550       2.00000100