%nproc=32 
%mem = 60GB 
%chk=Cl4F_isomer_31_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_31_1 opt 
 
-1 1
C        0.72500800      -0.53414500      -0.00000000
C        0.37979800       0.83268000      -0.00000000
C       -0.98681200       1.15369600      -0.00000000
C        2.09443900      -0.84349700      -0.00000000
C       -0.26700100      -1.53003100      -0.00000000
C        1.37995800       1.82120300       0.00000000
C       -1.94292300       0.19246600      -0.00000000
C        3.06032200       0.10378900       0.00000000
C       -1.56581300      -1.15870400      -0.00000000
C        2.68912500       1.45669400       0.00000000
F       -1.35046100       2.41863300      -0.00000000
F        2.42924400      -2.12463800       0.00000000
F       -3.21685300       0.50440400       0.00000000
F       -2.53303600      -2.05021900       0.00000000
H       -0.00456400      -2.57417500      -0.00000000
H        1.09279600       2.85937200       0.00000000
H        4.09587600      -0.19525400       0.00000000
H        3.45923600       2.21153000       0.00000000
Cl       3.77755600       1.00813800       2.00000000