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

FIP_s2

0 2
 C	-0.367870000	 0.313784000	-0.077353000
 C	-1.705454000	-0.466758000	-0.006812000
 F	-1.797696000	-1.207545000	 1.093780000
 F	-1.832358000	-1.260366000	-1.071061000
 F	-2.714111000	 0.408716000	-0.011711000
 C	 0.854078000	-0.640013000	-0.058589000
 O	-0.291155000	 1.117312000	 1.025256000
 H	-0.350667000	 0.857945000	-1.031068000
 F	 0.876140000	-1.407670000	 1.027342000
 F	 1.971090000	 0.091945000	-0.080566000
 F	 0.843223000	-1.422930000	-1.138037000

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

-Cu 0
LANL2DZ

