%mem=104GB
%nprocshared=24
%chk=BS1-Ni_III_dtbbpy_Ph_Cl_rTHF2.chk
#p opt=(ReadFC,Maxcycle=100) freq=noraman b3lyp/genecp scrf=(smd,solvent=thf)
empiricaldispersion=gd3bj Geom=Check Guess=Read

[NiIII(dtbbpy)(Ph)Cl(rTHF)] Optimization

0 2

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

Ni 0
SDD


