%nproc=32 
%mem = 60GB 
%chk=Cl5F_isomer_52_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_52_1 opt 
 
-1 1
C        0.38670800       0.56530100       0.00000000
C        0.52159500      -0.84169900       0.00000000
C       -0.61059500      -1.67283200      -0.00000000
C        1.55881500       1.34580500       0.00000100
C       -0.91702400       1.09378400      -0.00000000
C        1.81950900      -1.37847400       0.00000000
C       -1.83849200      -1.11087000      -0.00000000
C        2.79107600       0.78768300       0.00000000
C       -2.00359500       0.27980700      -0.00000000
C        2.92792100      -0.60674800      -0.00000000
F        1.45101100       2.66187200      -0.00000000
F       -1.11621200       2.38982800       0.00000000
F        1.93260000      -2.69850500      -0.00000000
F       -2.92762000      -1.84550100       0.00000000
F       -3.21391500       0.78263200       0.00000000
H       -0.50606700      -2.74414200      -0.00000000
H        3.65648900       1.42965300      -0.00000000
H        3.90128800      -1.06899000      -0.00000000
Cl       3.77888850       0.18033150       2.00000100