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

H2O_s2

1 2
 O	-0.582673000	 0.170232000	 0.007608000
 H	 0.420225000	 0.177911000	 0.002853000
 H	-0.908712000	 0.976986000	-0.491870000

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

-Cu 0
LANL2DZ

