%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

0 1
 C	 2.005657000	 3.912015000	 7.968193000
 H	 2.029976000	 4.014716000	 6.874848000
 H	 1.021228000	 4.292284000	 8.264450000
 N	 2.143203000	 2.499973000	 8.346487000
 C	 3.080530000	 4.799389000	 8.593831000
 H	 2.954532000	 5.843411000	 8.282932000
 H	 4.081681000	 4.469197000	 8.299130000
 H	 3.023168000	 4.756308000	 9.686356000
 C	 2.531775000	 1.647656000	 7.212335000
 H	 1.813819000	 1.763643000	 6.376298000
 C	 2.576631000	 0.161373000	 7.576668000
 H	 3.013016000	-0.400528000	 6.744751000
 H	 1.586667000	-0.261455000	 7.770008000
 H	 3.204333000	 0.001137000	 8.461317000
 C	 3.914611000	 2.062033000	 6.695112000
 H	 4.200516000	 1.437210000	 5.842140000
 H	 4.661681000	 1.936307000	 7.487288000
 H	 3.943703000	 3.103628000	 6.362831000
 C	 1.035935000	 1.999730000	 9.173619000
 H	 1.305440000	 0.979822000	 9.461647000
 C	-0.322712000	 1.932223000	 8.456617000
 H	-1.076179000	 1.474439000	 9.107204000
 H	-0.259571000	 1.332778000	 7.541615000
 H	-0.684200000	 2.929641000	 8.180920000
 C	 0.934080000	 2.785593000	 10.483493000
 H	 0.206488000	 2.307919000	 11.148501000
 H	 0.604536000	 3.818698000	 10.325520000
 H	 1.904907000	 2.809143000	 10.988711000

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

-Cu 0
LANL2DZ

