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 N₂O₄ (Dinitrogen tetroxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		489
	Energy 298.15K		97
	Atomization Enthalpy 298.15K	x	72	x
	Atomization Enthalpy 0K	x	72	x
	Entropy (298.15K)	x	60	x
	Entropy at any temperature		60
	Integrated Heat Capacity	x	60	x
	Heat Capacity (Cp)	x	60	x
	Nuclear Repulsion Energy		474
	HOMO-LUMO Energies		399
	Barriers to Internal Rotation		350
Geometries	Cartesians	x	456
	Internal Coordinates	x	456	x
	Products of moments of inertia	x	460	x
	Rotational Constants	x	468	x
	Point Group		475
Vibrations	Vibrational Frequencies	fun.	457	x
	Vibrational Intensities		562
	Zero-point energies	x	457	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		267
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		316
	Dipole	x	387	x
	Quadrupole		314
	Polarizability	x	342	x
Other results	Spin		0
	Number of basis functions		33
	Conformations		1