Run semi-empirical minimization &qmmm qm_theory='AM1', grms_tol=0.0005, scfconv=1.d-10, ndiis_attempts=700, qmcharge=0, / 7 N -3.9260 2.0200 -0.0150 1 H -2.8830 2.0330 0.0010 1 H1 -4.2640 3.0010 -0.1320 1 H2 -4.2640 1.6640 0.9050