%mem=104GB
%nProcShared=24
%chk=BS1-Ni_III_dtbbpy_Ph_Cl_pl_SqP-ue3.chk
#P B3LYP/GenECP OPT=(ReadFC,MaxCycle=100) Freq=NoRaman SCRF=(SMD,Solvent=THF) EmpiricalDispersion=GD3BJ Geom=Check Guess=Read

[NiIII(dtbbpy)(Ph)Cl]+ Optimization in Quartet Spin State

1 4

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

Ni 0
SDD


