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 N₃P₃ (1,3,5,2,4,6-Triazatriphosphorine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		598
	Energy 298.15K		261
	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		597
	HOMO-LUMO Energies		521
	Barriers to Internal Rotation		0
Geometries	Cartesians		592
	Internal Coordinates		0
	Products of moments of inertia		586
	Rotational Constants		592
	Point Group		598
Vibrations	Vibrational Frequencies	fun.	396	x
	Vibrational Intensities		403
	Zero-point energies		396
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		31
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		332
	Dipole		468
	Quadrupole		380
	Polarizability		394
Other results	Spin		0
	Number of basis functions		31
	Conformations		1