***, Calculate Gradients for Water
alpha=104 degree           !set geometry parameters
r=1 ang
geometry={O;               !define z-matrix
          H1,o,r;
          H2,o,r,H1,alpha}
basis=vdz                  !basis set
hf                         !do scf
forces                     !compute gradient for SCF
mp2                        !mp2 calculation
forces                     !mp2 gradients
multi                      !casscf calculation
forces                     !casscf gradient