%nprocshared=8
%mem=20GB
#p opt freq=NoRaman genecp scf=xqc scrf=(solvent=tetrahydrofuran,smd) nosymm guess=always Int=(grid=UltraFine) empiricaldispersion=gd3 b3lyp

R1-

-1 1
 C	-2.821300000	 0.458004000	 0.178936000
 C	-1.595725000	-0.336813000	 0.024465000
 O	-0.872637000	 0.171205000	-1.119707000
 C	-0.583149000	-0.038111000	 1.158145000
 O	 0.193651000	 1.032724000	 0.624620000
 H	 0.068902000	-0.895864000	 1.340384000
 H	-1.057032000	 0.288077000	 2.082009000
 C	 0.072960000	 1.045126000	-0.712666000
 O	 0.715102000	 1.733818000	-1.451387000
 C	-3.812288000	 1.125116000	 0.329041000
 C	-1.858145000	-1.823558000	-0.147120000
 C	-0.905343000	-2.618493000	-0.788337000
 C	-1.102748000	-3.990928000	-0.897325000
 C	-2.245785000	-4.579862000	-0.359414000
 C	-3.192722000	-3.788845000	 0.284503000
 C	-3.002207000	-2.412852000	 0.388405000
 H	-3.748155000	-1.798518000	 0.882676000
 H	-4.086918000	-4.239146000	 0.703961000
 H	-2.397917000	-5.651340000	-0.445155000
 H	-0.362297000	-4.600560000	-1.405700000
 H	-0.016205000	-2.164680000	-1.213967000

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

-Cu 0
LANL2DZ

