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 C₂H₆N₂O₂ ((E)-Azodioxymethane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		256
	Energy 298.15K		246
	Atomization Enthalpy 298.15K	x	158	x
	Atomization Enthalpy 0K		157
	Entropy (298.15K)		150
	Entropy at any temperature		150
	Integrated Heat Capacity		150
	Heat Capacity (Cp)		150
	Nuclear Repulsion Energy		236
	HOMO-LUMO Energies		238
	Barriers to Internal Rotation		0
Geometries	Cartesians		224
	Internal Coordinates		222
	Products of moments of inertia		236
	Rotational Constants		241
	Point Group		242
Vibrations	Vibrational Frequencies		236
	Vibrational Intensities		250
	Zero-point energies		236
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		202
	Dipole		208
	Quadrupole		203
	Polarizability		190
Other results	Spin		0
	Number of basis functions		5
	Conformations		2	x