r1=1.85,r2=1.85,theta=104 !set geometry parameters
geometry={O; !z-matrix geometry input
H1,O,r1;
H2,O,r2,H1,theta}
basis=vdz
{hf !scf using c2v symmetry
orbital,2100.2} !save on record 2100.2
symmetry,x
{hf
start,2100.2 !start with previous orbitals from c2v symmetry
orbital,2101.2} !save new orbitals
geometry={O; ! geometry has to be respecified so that
H1,O,r1; ! H1 and H2 can be retagged as symmetry related
H2,O,r2,H1,theta}
symmetry,x,y
{hf
start,2101.2 !start with orbitals from cs symmetry
orbital,2102.2} !save new orbitals