1***,h2o                   !A title
2r=1.85,theta=104          !set geometry parameters
3geometry={nosym,
4          O;              !z-matrix geometry input
5          H1,O,r;
6          H2,O,r,H1,theta}
7hf                        !closed-shell scf
8MP2                       !second-order Moeller-Plesset perturbation theory
9