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 C₅H₇N (Cyclobutanecarbonitrile)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		238
	Energy 298.15K		229
	Atomization Enthalpy 298.15K	x	162	x
	Atomization Enthalpy 0K		163
	Entropy (298.15K)		166
	Entropy at any temperature		166
	Integrated Heat Capacity		166
	Heat Capacity (Cp)		166
	Nuclear Repulsion Energy		228
	HOMO-LUMO Energies		232
	Barriers to Internal Rotation		0
Geometries	Cartesians		222
	Internal Coordinates	x	221	x
	Products of moments of inertia		226
	Rotational Constants		230
	Point Group		232
Vibrations	Vibrational Frequencies		225
	Vibrational Intensities		235
	Zero-point energies		225
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		163
	Dipole		165
	Quadrupole		161
	Polarizability		167
Other results	Spin		0
	Number of basis functions		8
	Conformations		1