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 C₃H₄N₂ (1H-Imidazole)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		504
	Energy 298.15K		471
	Atomization Enthalpy 298.15K	x	29	x
	Atomization Enthalpy 0K		30
	Entropy (298.15K)		17
	Entropy at any temperature		17
	Integrated Heat Capacity		17
	Heat Capacity (Cp)		17
	Nuclear Repulsion Energy		479
	HOMO-LUMO Energies		432
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	473
	Internal Coordinates	x	473	x
	Products of moments of inertia	x	474	x
	Rotational Constants	x	483	x
	Point Group		484
Vibrations	Vibrational Frequencies	fun.	474	x
	Vibrational Intensities		611
	Zero-point energies	x	474	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		305
	Dipole	x	395	x
	Quadrupole		324
	Polarizability	x	339	x
Other results	Spin		0
	Number of basis functions		29
	Conformations		1