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 B₃N₃H₆ (borazine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		243
	Energy 298.15K		233
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity	x	0	x
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		233
	HOMO-LUMO Energies		235
	Barriers to Internal Rotation		0
Geometries	Cartesians		234
	Internal Coordinates	x	0	x
	Products of moments of inertia		231
	Rotational Constants		235
	Point Group		237
Vibrations	Vibrational Frequencies		242
	Vibrational Intensities		248
	Zero-point energies		242
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		164
	Dipole		166
	Quadrupole		161
	Polarizability	x	168	x
Other results	Spin		0
	Number of basis functions		9
	Conformations		1