Run semi-empirical minimization
 &qmmm
    qm_theory='AM1', grms_tol=0.0005,
 scfconv=1.d-10, ndiis_attempts=700,   qmcharge=0,
 /
   8     O       -3.6160        1.6820       -0.0060 
   1     H       -2.6270        1.6400        0.0040 
   1    H1       -3.9050        0.7620        0.2180