%mem=104GB
%nprocshared=24
%chk=BS1-Ni_I_dtbbpy_Cl-t1.chk
#P B3LYP/GenECP OPT=(ReadFC,MaxCycle=100) Freq=NoRaman SCRF=(SMD,Solvent=THF) EmpiricalDispersion=GD3BJ Geom=Check Guess=Read

[NiI(dtbbpy)(Cl)] Optimization

0 2

H C N Cl 0
6-31G*
****
Ni 0
SDD
****

Ni 0
SDD


