%nproc=32 
%mem = 60GB 
%chk=Cl6F_isomer_66_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 
 
Cl6F_isomer_66_1 opt 
 
-1 1
C       -0.06742000       1.02460200       0.00000000
C       -0.43549000      -0.34089800       0.00000100
C        0.57947300      -1.31411700       0.00000000
C       -1.05599500       2.02319700       0.00000000
C        1.29588900       1.35606900       0.00000100
C       -1.80745600      -0.64826800       0.00000100
C        1.88663700      -0.95141900       0.00000000
C       -2.37038600       1.68583300      -0.00000000
C        2.25441200       0.40045100       0.00000100
C       -2.73754000       0.34131200       0.00000000
F        0.28692700      -2.59436700       0.00000000
F        1.64762600       2.62463900      -0.00000000
F       -2.20822100      -1.89879400      -0.00000100
F        2.83319100      -1.85592800      -0.00000100
F        3.52767900       0.70690100      -0.00000100
F       -4.01487900       0.02329400      -0.00000100
H       -0.75425100       3.05675200      -0.00000000
H       -3.14940700       2.43097000      -0.00000100
Cl      -1.95182900       2.74386100       2.00000100