***,mscaspt2 for h2o 3B2 states
basis=vdz
geometry={O
H1,O,R;
H2,O,R,H1,THETA}
R=2.4
Theta=98
hf
{multi;closed,2
wf,10,1,2;state,3 !three 3A1 states included in sa-casscf
wf,10,2,2;state,2 !two 3B1 states included in sa-casscf
wf,10,3,2;state,3 !three 3B2 states included in sa-casscf
canonical,2140.2} !save pseudo canonical orbitals
{rs2,xms=2,mix=3,root=2; !include three B2 states,
!select the second state for gradients
wf,10,3,2 !Triplet B2 state symmetry.
state,3} !The same number of states as specified for mix.
optg !optimize the geometry