%nprocshared=12
%mem=20GB
#p opt freq=NoRaman genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=(grid=UltraFine) empiricaldispersion=gd3 b3lyp

HFIP_s2

1 2
 C	-0.261507000	 0.394903000	 0.004385000
 C	-1.878046000	-0.554822000	-0.141080000
 F	-1.812478000	-1.461537000	 0.779487000
 F	-1.863638000	-1.019550000	-1.343902000
 F	-2.777034000	 0.344577000	 0.066280000
 C	 0.889300000	-0.641975000	 0.023102000
 O	-0.396991000	 1.120950000	 1.083516000
 H	-0.396083000	 0.973996000	-0.913106000
 F	 1.071194000	-1.050133000	 1.279971000
 F	 1.978959000	-0.022109000	-0.401652000
 F	 0.631683000	-1.680066000	-0.751199000
 H	-0.004180000	 0.701908000	 1.881698000

-C -N -O -H -S -F 0
6-31g(d)
****
-Cu 0
LANL2DZ
****

-Cu 0
LANL2DZ

