Run semi-empirical minimization
 &qmmm
    qm_theory='AM1', grms_tol=0.0005,
 scfconv=1.d-10, ndiis_attempts=700,   qmcharge=0,
 /
   8     O        1.0600       -0.0690       -0.0430 
   1     H        2.0190       -0.0500       -0.0420 
   1    H1        0.7580        0.8400        0.0140