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 CH₂N₄ (1H-Tetrazole)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		407
	Energy 298.15K		396
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K	x	0	x
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity	x	0	x
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		405
	HOMO-LUMO Energies		374
	Barriers to Internal Rotation		0
Geometries	Cartesians		406
	Internal Coordinates		406
	Products of moments of inertia		398
	Rotational Constants		406
	Point Group		409
Vibrations	Vibrational Frequencies	fun.	404	x
	Vibrational Intensities		374
	Zero-point energies	x	404	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		259
	Dipole		337
	Quadrupole		283
	Polarizability		311
Other results	Spin		0
	Number of basis functions		29
	Conformations		1