%mem=104GB
%nprocshared=24
%oldchk=NiIII_dtbbpyPhCl_rTHF2-TS-2-reFQ-GFR.chk
%chk=NiIII_dtbbpyPhCl_rTHF2-TS-2-reFQ-GFR-ircr.chk
#P UB3LYP/GenECP IRC=(RCFC,Reverse,MaxPoints=20,LQA) SCRF=(SMD,Solvent=THF) EmpiricalDispersion=GD3BJ Geom=Check Guess=Read

IRC of TS

0 2

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

Ni 0
SDD

--link1--
%mem=104GB
%nprocshared=24
%chk=NiIII_dtbbpyPhCl_rTHF2-TS-2-reFQ-GFR-ircr.chk
#P UB3LYP/GenECP OPT=(ReadFC,MaxCycle=100,MaxStep=10) Freq=NoRaman SCRF=(SMD,Solvent=THF) EmpiricalDispersion=GD3BJ Geom=Check Guess=Read

Opt after IRC of TS

0 2

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

Ni 0
SDD


