Molpro: add formaldehyde with symmetry (C2v) and natural orbitals
Psi3: water with symmetry and D functions
Molpro: an RHF job for water from Axel Schild
Gaussian09: a CASSCF job for water from Axel Schild (useful for testing natural orbitals)
GAMESS-US: CI job for water from Axel Schild (with natural orbitals)