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

NuBaseH

0 1
 H	-0.893057000	 1.545139000	 0.980899000
 N	-0.826097000	 1.729171000	 2.003084000
 C	-2.252409000	 1.561117000	 2.543401000
 H	-2.211922000	 1.850334000	 3.594664000
 C	-0.193917000	 3.136144000	 2.136889000
 H	 0.878479000	 2.924532000	 2.142047000
 C	 0.140510000	 0.652155000	 2.466367000
 H	-0.270242000	-0.298039000	 2.133706000
 H	 1.048239000	 0.814547000	 1.883110000
 C	 0.441119000	 0.640747000	 3.954465000
 H	 1.077365000	-0.226120000	 4.157045000
 H	 0.982444000	 1.534047000	 4.277242000
 H	-0.464554000	 0.536757000	 4.559864000
 C	-2.693405000	 0.098673000	 2.432161000
 H	-2.150265000	-0.559881000	 3.113446000
 H	-3.753761000	 0.038767000	 2.695405000
 H	-2.574304000	-0.280784000	 1.413190000
 C	-3.214048000	 2.475615000	 1.779786000
 H	-3.075259000	 3.531891000	 2.013961000
 H	-3.105879000	 2.342137000	 0.698347000
 H	-4.239592000	 2.213494000	 2.056328000
 C	-0.553911000	 3.848615000	 3.439399000
 H	-0.380971000	 3.233750000	 4.324978000
 H	 0.086068000	 4.733803000	 3.519226000
 H	-1.591306000	 4.193289000	 3.451183000
 C	-0.480176000	 3.995854000	 0.903945000
 H	-0.246659000	 3.461960000	-0.020813000
 H	-1.515275000	 4.339507000	 0.857379000
 H	 0.160931000	 4.881938000	 0.955677000
 O	-0.999463370	 1.252693100	-0.643458810
 S	-2.322892330	 1.139104320	-1.287933240
 O	-3.296088700	 0.141698120	-0.783953620
 C	-2.062991610	 0.823207740	-3.038581190
 C	-3.046099670	 0.139717390	-3.758895620
 C	-0.906999260	 1.312128510	-3.653877790
 C	-2.864241490	-0.055021660	-5.129077100
 H	-3.928260510	-0.237621840	-3.252481270
 C	-0.739020520	 1.111744420	-5.024075860
 H	-0.160250310	 1.839438740	-3.070844650
 C	-1.715500180	 0.432487440	-5.759331350
 H	-3.617029260	-0.589401050	-5.701464250
 H	 0.153750920	 1.486457100	-5.516275610
 H	-1.579617490	 0.280533590	-6.826558610

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

-Cu 0
LANL2DZ


