start bsse_mp2
geometry units angstrom
#symmetry c1
O 20.591 27.211 26.352
H 21.024 26.573 26.019
O 21.546 24.721 25.823
C 20.699 23.878 25.511
end
basis "ao basis"
* library 6-311+g*
bqH library H 6-311+g*
bqO library O 6-311+g*
bqC library C 6-311+g*
end
scf
uhf
doublet
direct
maxiter 1000
end
mp2
freeze atomic
end
bsse
mon first 1 2 mult 2
mon second 3 4 mult 1
end
task mp2 energy