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 C₄H₅N (Cyclopropanecarbonitrile)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		243
	Energy 298.15K		237
	Atomization Enthalpy 298.15K	x	176	x
	Atomization Enthalpy 0K		180
	Entropy (298.15K)		167
	Entropy at any temperature		167
	Integrated Heat Capacity		167
	Heat Capacity (Cp)		167
	Nuclear Repulsion Energy		217
	HOMO-LUMO Energies		216
	Barriers to Internal Rotation		0
Geometries	Cartesians		191
	Internal Coordinates	x	0	x
	Products of moments of inertia		211
	Rotational Constants		216
	Point Group		216
Vibrations	Vibrational Frequencies	fun.	214	x
	Vibrational Intensities		225
	Zero-point energies	x	214	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		179
	Dipole		184
	Quadrupole		178
	Polarizability		164
Other results	Spin		0
	Number of basis functions		6
	Conformations		1