Run semi-empirical minimization &qmmm qm_theory='AM1', grms_tol=0.0005, scfconv=1.d-10, ndiis_attempts=700, qmcharge=0, / 6 C -3.9390 0.7940 0.0000 8 O -3.8510 2.0130 0.0000 7 N -5.1590 0.2090 0.0000 7 N1 -2.8150 0.0390 0.0000 1 H -6.0150 0.7840 0.0000 1 H1 -5.2530 -0.8180 0.0000 1 H2 -1.8860 0.4850 0.0000 1 H3 -2.8700 -0.9900 0.0000