***, Calculation for AlO --- Input for MOLPRO 2010.1

basis=cc-pVDZ

r=3.0   ! 3.06 bohrs is very close to the ground state minimum.
geometry={Al; O, Al, r}


{MCSCF; OCC,8,3,3,0; CLOSED,4,1,1,0; FROZEN,0,0,0,0; WF, NELEC=21, SYM=1, SPIN=1; STATE,1; LQUANT,0; ORBPRINT,0}
{NEVPT2 ; OCC,8,3,3,0; CLOSED,4,1,1,0; CORE  ,4,1,1,0;}
---
