Just got an energy of -1518.8
Total DFT energy = -1518.847822293797
This is the input file I used
start ni_ano
geometry
ni 0 0 0
symmetry oh
end
memory stack 900 mb heap 200 mb global 700 mb noverify
BASIS "ao basis" spherical noprint
#BASIS SET: (21s,15p,10d,6f,4g,2h) -> [10s,9p,8d,6f,4g,2h]
Ni S
....
end
dft
xc hfexch
end
relativistic
douglas-kroll on dkh
clight 137.036d0
end
task dft
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