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

[NiII(dtbbpy)(Ph)]+ Optimization

1 1

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

Ni 0
SDD


