%nproc=16 
%mem = 60GB 
%chk=2F_isomer_3.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 
 
2F_isomer_3 opt 
 
+0 1
F      2.267866   -1.505470    0.000000
C      1.133455   -0.762545    0.000000
C     -0.114891   -1.394740    0.000000
C     -1.286606   -0.630555    0.000000
C     -1.210960    0.766061    0.000000
C      0.036428    1.398997    0.000000
C      1.209176    0.635445    0.000000
F      2.417182    1.251282    0.000000
H     -0.175246   -2.475382    0.000000
H     -2.251860   -1.120012    0.000000
H     -2.117691    1.357082    0.000000
H      0.093147    2.479837    0.000000
 
