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

Product_R_v1

0 1
 C	 3.776567000	 8.138476000	 5.284901000
 C	 4.313707000	 7.301839000	 6.012438000
 C	 5.152440000	 6.418454000	 6.791084000
 C	 5.545321000	 5.125698000	 6.084758000
 C	 4.615510000	 6.194827000	 8.240962000
 O	 4.115558000	 7.361311000	 8.859767000
 H	 5.399405000	 5.730856000	 8.856020000
 H	 3.786623000	 5.484610000	 8.163362000
 C	 6.113258000	 4.050989000	 6.789469000
 C	 6.324576000	 2.776657000	 4.740299000
 C	 6.493966000	 2.885653000	 6.122672000
 C	 5.388595000	 5.009645000	 4.695004000
 C	 5.772505000	 3.844709000	 4.030105000
 H	 4.962184000	 5.836205000	 4.136628000
 H	 6.277951000	 4.118550000	 7.857840000
 H	 6.927404000	 2.064045000	 6.686910000
 H	 6.621271000	 1.868153000	 4.222481000
 H	 5.634218000	 3.776370000	 2.955084000
 H	 4.822090000	 8.031803000	 8.803852000
 S	 6.809160000	 7.398862000	 7.069035000
 O	 7.835790000	 6.485241000	 7.619451000
 O	 6.452540000	 8.612263000	 7.864279000
 C	 7.348873000	 7.948542000	 5.450353000
 C	 8.218569000	 7.141095000	 4.713892000
 C	 6.862720000	 9.158153000	 4.949160000
 C	 8.621481000	 7.572077000	 3.448333000
 H	 8.578786000	 6.205483000	 5.127481000
 C	 7.268315000	 9.574355000	 3.681698000
 H	 6.171952000	 9.746690000	 5.536524000
 C	 8.147427000	 8.783899000	 2.934600000
 H	 9.304855000	 6.961738000	 2.865097000
 H	 6.887655000	 10.509356000	 3.280590000
 H	 8.461986000	 9.110443000	 1.947077000
 H	 3.310052340	 8.865108580	 4.653023510

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

-Cu 0
LANL2DZ


