%nproc=32 
%mem = 60GB 
%chk=Cl5F_isomer_63_0.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_63_0 opt 
 
-1 1
C        0.13547600      -0.30545300       0.00000200
C       -0.06951300       1.09450100       0.00000100
C       -1.39252400       1.56562300       0.00000100
C        1.46318200      -0.76763600       0.00000200
C        1.02665500       1.97295200       0.00000100
C       -0.98539400      -1.15537900       0.00000100
C       -2.46418200       0.74323400      -0.00000000
C        2.50049900       0.10952500      -0.00000000
C        2.29396700       1.48825600      -0.00000100
C       -2.23782700      -0.63375800      -0.00000000
F       -1.57880500       2.87397300      -0.00000100
F        1.72143100      -2.05588600      -0.00000100
F       -0.83832500      -2.46275400      -0.00000100
F        3.73234300      -0.35437900      -0.00000100
F       -3.27558700      -1.44203000      -0.00000100
H        0.84432100       3.03415200      -0.00000000
H       -3.47046300       1.12707000      -0.00000200
H        3.15458900       2.13726900      -0.00000300
Cl      -3.47046300       1.12707000       2.00000200
 
