%nproc=32 
%mem = 60GB 
%chk=Cl5F_isomer_51_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_51_1 opt 
 
-1 1
C        0.36359400      -0.96819300       0.00000000
C        0.22442700       0.44014700       0.00000000
C       -1.07334400       0.98370200      -0.00000000
C        1.64716200      -1.54331500      -0.00000000
C       -0.78543900      -1.77892800       0.00000000
C        1.40157400       1.21291600       0.00000000
C       -2.16838300       0.18268100       0.00000000
C        2.73090400      -0.73550700      -0.00000000
C       -2.00977900      -1.20826900       0.00000000
C        2.63552800       0.65647500       0.00000000
F       -1.25709100       2.28234600       0.00000000
F        1.30526000       2.52579100      -0.00000000
F       -3.37604300       0.69489100      -0.00000000
F        3.94293000      -1.25983200       0.00000000
F       -3.10212500      -1.93833700      -0.00000000
H        1.76822000      -2.61398000      -0.00000000
H       -0.70036500      -2.85322500       0.00000000
H        3.51829800       1.27321500       0.00000000
Cl       3.51829800       1.27321500       2.00000000
 
