%mem=80GB
%nprocshared=24
%oldchk=BS1-Ni_III_dtbbpy_Ph_rTHF-REts-N1.chk
%chk=BS1-Ni_III_dtbbpy_Ph_rTHF-REts-N1-ircF.chk
#P UB3LYP/GenECP IRC=(RCFC,Forward,MaxPoints=20,LQA) SCRF=(SMD,Solvent=THF) EmpiricalDispersion=GD3BJ Geom=Check Guess=Read

IRC of TS

1 2

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

Ni 0
SDD

--link1--
%mem=80GB
%nprocshared=24
%chk=BS1-Ni_III_dtbbpy_Ph_rTHF-REts-N1-ircF.chk
#P UB3LYP/GenECP OPT=(ReadFC,MaxCycle=100) Freq=NoRaman SCRF=(SMD,Solvent=THF) EmpiricalDispersion=GD3BJ Geom=Check Guess=Read

Opt after IRC of TS

1 2

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

Ni 0
SDD


