echo

title "demonstrate the use of multiplicity"

start o2

geometry units angstrom
O        0.0000000000      0.0000000000      0.60066850000
O        0.0000000000      0.0000000000     -0.60066850000
symmetry c1
end

basis
 * library 6-31G*
end

# as triplet
dft
 xc b3lyp
 odft
 mult 3
 iterations 100
end
task dft energy

# as singlet
dft
 xc b3lyp
 odft
 mult 1
 iterations 100
end
task dft energy
