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

NuBaseH_SP

0 1
 H	-1.722673000	 2.553041000	 0.387021000
 N	-1.235764000	 2.093543000	 1.233487000
 C	-2.360618000	 1.478508000	 2.071586000
 H	-1.909714000	 1.180357000	 3.019726000
 C	-0.414839000	 3.209340000	 1.918015000
 H	 0.581107000	 3.093989000	 1.483681000
 C	-0.311797000	 1.078844000	 0.600433000
 H	-0.924759000	 0.448487000	-0.041420000
 H	 0.342213000	 1.650874000	-0.061612000
 C	 0.501271000	 0.243477000	 1.578687000
 H	 1.067633000	-0.499930000	 1.006991000
 H	 1.220094000	 0.846338000	 2.141393000
 H	-0.133575000	-0.295492000	 2.288947000
 C	-2.964501000	 0.248217000	 1.386903000
 H	-2.256675000	-0.577353000	 1.276632000
 H	-3.784357000	-0.112076000	 2.018151000
 H	-3.384870000	 0.515887000	 0.411637000
 C	-3.461914000	 2.518172000	 2.304126000
 H	-3.121553000	 3.386764000	 2.870361000
 H	-3.869790000	 2.852418000	 1.345437000
 H	-4.268886000	 2.049149000	 2.876579000
 C	-0.278590000	 3.049839000	 3.432801000
 H	 0.079219000	 2.058594000	 3.723149000
 H	 0.458813000	 3.782203000	 3.779120000
 H	-1.213527000	 3.252321000	 3.962835000
 C	-0.918850000	 4.600049000	 1.523272000
 H	-0.990570000	 4.704553000	 0.438496000
 H	-1.898388000	 4.826606000	 1.951547000
 H	-0.205517000	 5.340735000	 1.901891000
 O	-2.351015000	 3.308359000	-0.869132000
 S	-3.255347000	 2.550153000	-1.889741000
 O	-4.367537000	 1.764658000	-1.203510000
 C	-2.089058000	 1.225161000	-2.426704000
 C	-2.508327000	-0.104503000	-2.473038000
 C	-0.786131000	 1.570068000	-2.798144000
 C	-1.610856000	-1.101569000	-2.869578000
 H	-3.525375000	-0.344790000	-2.176296000
 C	 0.106152000	 0.575285000	-3.203299000
 H	-0.468144000	 2.607872000	-2.742383000
 C	-0.304353000	-0.762654000	-3.234313000
 H	-1.929667000	-2.140948000	-2.893392000
 H	 1.122571000	 0.839210000	-3.485595000
 H	 0.391906000	-1.537430000	-3.545176000

-C -N -O -H -S -F 0
cc-pvtz
****
-Cu 0
LANL2DZ
****

-Cu 0
LANL2DZ

