Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for NH₃ (Ammonia)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		1071
	Energy 298.15K		1014
	Atomization Enthalpy 298.15K	x	52	x
	Atomization Enthalpy 0K	x	53	x
	Entropy (298.15K)	x	16	x
	Entropy at any temperature		16
	Integrated Heat Capacity	x	16	x
	Heat Capacity (Cp)	x	16	x
	Nuclear Repulsion Energy		1031
	HOMO-LUMO Energies		947
	Barriers to Internal Rotation		686
Geometries	Cartesians	x	986
	Internal Coordinates	x	986	x
	Products of moments of inertia	x	996	x
	Rotational Constants	x	1006	x
	Point Group		1034
Vibrations	Vibrational Frequencies	fun.	998	x
	Vibrational Intensities	x	1442	x
	Zero-point energies	x	998	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		416
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		506
	Dipole	x	611	x
	Quadrupole	x	532	x
	Polarizability	x	593	x
Other results	Spin		0
	Number of basis functions		102
	Conformations		1