***,H2O                      !title
include procedures
basis=vtz                    !use cc-pVTZ basis
geometry={O;                 !Z-matrix for water
          H1,O,R;
          H2,O,R,H1,THETA}
R=0.96 Ang                   !start bond distance
Theta=104                    !start bond angle
optmp2                       !do MP2 geometry optimization
show,R,Theta                 !show optimized geometry parameters