Rep:Mod:smymaya

NH3 molecule

NH3
Calculation method	RB3LYP
Basis set	6-31G(d.p)
Final energy  E(RB3LYP) in atomic units (au)	-56.44397188
Point group	C3V

         Item               Value     Threshold  Converged?
 Maximum Force            0.000004     0.000450     YES
 RMS     Force            0.000004     0.000300     YES
 Maximum Displacement     0.000072     0.001800     YES
 RMS     Displacement     0.000035     0.001200     YES