Rep:Mod:ahp

NH₃

(insert picture of molecule to table)

Bond Length and Angle

Optimised N-H bond length (Å)	1.01798
Optimised H-N-H bond angle (°)	105.741

More Information

Molecule	NH3
Calculation method	RB3LYP
Basis set	6-31G(d.p)
Final energy E(RB3LYP)	-56.55776873 a.u.
RMS gradient	0.00000485 a.u.
Point group	C3V

Proof of Optimisation

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

Predicted change in Energy= -5.986271D-10 Optimization completed.