%nproc=32 
%mem = 60GB 
%chk=Cl3F_isomer_20_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 
 
Cl3F_isomer_20_1 opt 
 
-1 1
C        0.20119800       0.85897500      -0.00000000
C        0.37874900      -0.53993400      -0.00000000
C       -0.72534500      -1.41085800       0.00000000
C        1.31156400       1.72165100      -0.00000000
C       -1.12355700       1.32850600      -0.00000100
C        1.70252900      -1.00870900      -0.00000000
C       -1.96567100      -0.87242700       0.00000100
C        2.56872400       1.20612600       0.00000000
C       -2.19778200       0.50626500      -0.00000000
C        2.77355000      -0.18208000      -0.00000000
F       -1.31346300       2.63623200       0.00000000
F        1.88596700      -2.32085400       0.00000000
F       -3.02710100      -1.66091400      -0.00000000
H       -0.58918800      -2.47853200       0.00000000
H        1.14846800       2.78643000      -0.00000000
H        3.42383000       1.86303800       0.00000000
H       -3.20145600       0.89697400      -0.00000000
H        3.76596800      -0.60318300       0.00000000
Cl       3.42383000       1.86303800       2.00000000