%nproc=32 
%mem = 60GB 
%chk=Cl3F_isomer_24_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_24_1 opt 
 
-1 1
C        0.00548600       0.66999100       0.00000000
C        0.65163300      -0.58419000       0.00000000
C       -0.10080600      -1.77157000      -0.00000000
C        0.75966100       1.85788200       0.00000000
C       -1.39742600       0.67691300       0.00000000
C        2.05621700      -0.57786300       0.00000000
C       -1.45794000      -1.71867000      -0.00000000
C        2.11710500       1.79528100       0.00000000
C       -2.10391800      -0.48088100      -0.00000000
C        2.78562900       0.56126800       0.00000000
F       -2.03309500       1.83246700      -0.00000000
F        2.67179700      -1.75054400      -0.00000000
F       -3.42193100      -0.44330200       0.00000000
H        0.41031000      -2.71954300      -0.00000000
H        0.24817400       2.80579700       0.00000000
H       -2.06273400      -2.61119700      -0.00000000
H        2.69756500       2.70435800      -0.00000000
H        3.86189600       0.50403000       0.00000000
Cl       2.69756500       2.70435800       2.00000000