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 CHNHCH (1H-Azirine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		543
	Energy 298.15K		524
	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		521
	HOMO-LUMO Energies		488
	Barriers to Internal Rotation		0
Geometries	Cartesians		544
	Internal Coordinates		544
	Products of moments of inertia		536
	Rotational Constants		544
	Point Group		545
Vibrations	Vibrational Frequencies		544
	Vibrational Intensities		493
	Zero-point energies		544
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		317
	Dipole		439
	Quadrupole		359
	Polarizability		374
Other results	Spin		0
	Number of basis functions		31
	Conformations		1