%nprocshared=20
%mem=40GB
#p opt freq=NoRaman genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=(grid=UltraFine) empiricaldispersion=gd3 b3lyp

ProductR_onlybase

0 1
 N	-3.288894000	 1.006884000	-2.021936000
 C	-4.101758000	-0.209089000	-2.303904000
 C	-3.352599000	 2.117987000	-3.021651000
 C	-3.376185000	 1.507401000	-0.638125000
 H	-5.160681000	 0.064797000	-2.437290000
 C	-4.035261000	-1.222354000	-1.148718000
 C	-3.625667000	-0.908967000	-3.585871000
 H	-3.151459000	 3.025232000	-2.439506000
 C	-4.718197000	 2.331701000	-3.696372000
 C	-2.223659000	 2.027764000	-4.062429000
 H	-3.044883000	 0.711214000	 0.035260000
 H	-2.624067000	 2.297415000	-0.536459000
 C	-4.735626000	 2.040280000	-0.168745000
 H	-4.495961000	-0.857294000	-0.228139000
 H	-4.575188000	-2.129586000	-1.441544000
 H	-3.000762000	-1.508190000	-0.925064000
 H	-3.766304000	-0.300142000	-4.480973000
 H	-2.563173000	-1.170195000	-3.511281000
 H	-4.194614000	-1.834388000	-3.731177000
 H	-5.525142000	 2.417934000	-2.961857000
 H	-4.693613000	 3.261532000	-4.276958000
 H	-4.973253000	 1.522443000	-4.388169000
 H	-1.251841000	 1.882315000	-3.579799000
 H	-2.369106000	 1.207817000	-4.770485000
 H	-2.177409000	 2.958678000	-4.641831000
 H	-4.679900000	 2.330204000	 0.888284000
 H	-5.038481000	 2.925262000	-0.738970000
 H	-5.524505000	 1.287086000	-0.269252000

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

-Cu 0
LANL2DZ


