%nproc=32 
%mem = 60GB 
%chk=Cl3F_isomer_26_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 
 
Cl3F_isomer_26_0 opt 
 
-1 1
C        0.28869300       0.17451000       0.00000100
C        0.48884500      -1.22675700       0.00000000
C       -0.62941400      -2.08085400      -0.00000000
C        1.43386700       0.99433800       0.00000100
C       -1.03148000       0.65986200       0.00000100
C        1.79996900      -1.73920700       0.00000000
C       -1.89082500      -1.58093600      -0.00000000
C        2.68763800       0.48401300       0.00000000
C       -2.08205100      -0.19992400      -0.00000000
C        2.87084600      -0.90555000      -0.00000000
F        1.28133500       2.30625900      -0.00000000
F       -1.27301600       1.95231900      -0.00000000
F       -3.31076300       0.27935300       0.00000000
H       -0.46810000      -3.14737300      -0.00000000
H        1.93547300      -2.80963800      -0.00000000
H       -2.75977100      -2.21929300      -0.00000100
H        3.52518500       1.16263000      -0.00000100
H        3.87268600      -1.30467900      -0.00000100
Cl      -1.61393550      -2.68333300       2.00000100
 
