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

R2

-1 1
 S	 5.085924000	 7.739491000	 8.551898000
 O	 5.112189000	 7.222364000	 9.979357000
 O	 4.445405000	 9.109524000	 8.414103000
 C	 6.860285000	 8.123385000	 8.257741000
 C	 7.853656000	 7.390898000	 8.903116000
 C	 7.214761000	 9.098815000	 7.328236000
 C	 9.197751000	 7.636899000	 8.626762000
 H	 7.559778000	 6.642648000	 9.634188000
 C	 8.557260000	 9.345985000	 7.047638000
 H	 6.429772000	 9.672454000	 6.843226000
 C	 9.551569000	 8.614218000	 7.696917000
 H	 9.971111000	 7.070854000	 9.139847000
 H	 8.830178000	 10.113426000	 6.327710000
 H	 10.598878000	 8.807086000	 7.480697000

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

-Cu 0
LANL2DZ

