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 BH₃NH₃ (borane ammonia)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		559
	Energy 298.15K		544
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		572
	HOMO-LUMO Energies		519
	Barriers to Internal Rotation	x	550	x
Geometries	Cartesians	x	559
	Internal Coordinates	x	559	x
	Products of moments of inertia		562
	Rotational Constants	x	571	x
	Point Group		573
Vibrations	Vibrational Frequencies	fun.	575	x
	Vibrational Intensities		1061
	Zero-point energies		575
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		415
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		359
	Dipole	x	448	x
	Quadrupole		399
	Polarizability		424
Other results	Spin		0
	Number of basis functions		35
	Conformations		1