gprint,orbitals,civector
 basis=avtz,h=vtz

 geometry=h2o.xyz

 set,charge=1
 {df-multi;                                                                     ! casscf, state averaged
 wf,spin=1;state,2                                                              ! doublet, 2 states
 wf,spin=3;                                                                     ! quartet
 natorb,cirec=5140.2}                                                           ! save casscf wavefunctions

{pno-caspt2,cirec=5140.2,shift=0.3;state,1,1;wf,spin=1}                         ! first doublet state
{pno-caspt2,cirec=5140.2,shift=0.3;state,1,2;wf,spin=1}                         ! second doublet state
{pno-caspt2,cirec=5240.2,shift=0.3;wf,spin=3}                                   ! quartet state

{pno-caspt2,cirec=5140.2,shift=0.3;state,2;wf,spin=1}                           ! MS-CASPT2 for doublet states