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

Base_s2

1 2
 C	 1.910061000	 3.967217000	 7.811404000
 H	 2.066550000	 4.086547000	 6.737231000
 H	 0.916239000	 4.351358000	 8.056202000
 N	 1.911946000	 2.536964000	 8.095395000
 C	 2.976029000	 4.758788000	 8.588292000
 H	 2.938318000	 5.789005000	 8.225881000
 H	 3.979158000	 4.367833000	 8.413731000
 H	 2.779865000	 4.764734000	 9.660063000
 C	 2.565077000	 1.651957000	 7.115300000
 H	 2.034613000	 1.870869000	 6.175950000
 C	 2.441219000	 0.164415000	 7.419567000
 H	 2.881001000	-0.376810000	 6.578364000
 H	 1.405681000	-0.169355000	 7.513891000
 H	 2.998699000	-0.114579000	 8.318794000
 C	 4.038639000	 2.056044000	 6.931997000
 H	 4.477040000	 1.382967000	 6.192032000
 H	 4.587465000	 1.944493000	 7.871227000
 H	 4.154532000	 3.075627000	 6.560455000
 C	 1.070975000	 2.007403000	 9.169268000
 H	 1.456872000	 1.015057000	 9.399467000
 C	-0.364387000	 1.860759000	 8.614729000
 H	-0.960688000	 1.344691000	 9.371196000
 H	-0.389229000	 1.275190000	 7.692994000
 H	-0.812408000	 2.840177000	 8.426315000
 C	 1.099594000	 2.847576000	 10.443330000
 H	 0.480613000	 2.334581000	 11.183745000
 H	 0.680805000	 3.847010000	 10.299177000
 H	 2.111172000	 2.927767000	 10.846824000

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

-Cu 0
LANL2DZ

