%nproc=32 
%mem = 60GB 
%chk=Cl5F_isomer_55_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_55_1 opt 
 
-1 1
C        0.25427900      -0.61645300       0.00000000
C        0.28475100       0.79257200      -0.00000000
C       -0.90305100       1.54347100       0.00000100
C        1.44282300      -1.36708900      -0.00000000
C       -1.00624100      -1.23282100       0.00000100
C        1.55164200       1.39909100      -0.00000100
C       -2.08733900       0.89410700       0.00000100
C        2.62018000      -0.70116300      -0.00000000
C       -2.15198500      -0.50704700       0.00000000
C        2.70602500       0.69378100      -0.00000100
F       -1.07817100      -2.54671200      -0.00000000
F        1.59842200       2.71866800       0.00000100
F       -3.22867600       1.54780600      -0.00000100
F        3.75647000      -1.37459300       0.00000100
F       -3.32260700      -1.09578000       0.00000000
H       -0.87778700       2.61985400       0.00000000
H        1.41949100      -2.44319400      -0.00000000
H        3.66284900       1.18814900      -0.00000100
Cl       3.66284900       1.18814900       2.00000100