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

BaseH

1 1
 C	 2.020045000	 3.949706000	 7.990647000
 H	 2.027687000	 3.994253000	 6.902140000
 H	 1.038121000	 4.285422000	 8.317360000
 N	 2.169957000	 2.492009000	 8.390277000
 H	 2.972781000	 2.447724000	 9.025104000
 C	 3.110157000	 4.812206000	 8.601786000
 H	 2.967453000	 5.845788000	 8.277222000
 H	 4.107680000	 4.493233000	 8.285188000
 H	 3.064027000	 4.793938000	 9.695263000
 C	 2.550644000	 1.607728000	 7.202602000
 H	 1.766075000	 1.774295000	 6.460250000
 C	 2.599968000	 0.134767000	 7.594653000
 H	 3.009304000	-0.424855000	 6.750171000
 H	 1.616421000	-0.285333000	 7.813953000
 H	 3.261731000	-0.030644000	 8.452539000
 C	 3.898621000	 2.063616000	 6.648663000
 H	 4.138897000	 1.446709000	 5.779685000
 H	 4.695752000	 1.924042000	 7.387475000
 H	 3.901541000	 3.104476000	 6.317996000
 C	 0.995125000	 1.980249000	 9.221365000
 H	 1.278952000	 0.963123000	 9.492121000
 C	-0.293659000	 1.946579000	 8.413249000
 H	-1.075579000	 1.514715000	 9.043096000
 H	-0.209225000	 1.323718000	 7.519021000
 H	-0.625339000	 2.945080000	 8.115201000
 C	 0.885878000	 2.786277000	 10.511019000
 H	 0.143501000	 2.302849000	 11.150952000
 H	 0.556961000	 3.816148000	 10.345642000
 H	 1.834410000	 2.798919000	 11.058247000

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

-Cu 0
LANL2DZ

