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 C₅H₉N (Propanenitrile, 2,2-dimethyl-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		223
	Energy 298.15K		214
	Atomization Enthalpy 298.15K	x	151	x
	Atomization Enthalpy 0K		151
	Entropy (298.15K)		143
	Entropy at any temperature		143
	Integrated Heat Capacity		143
	Heat Capacity (Cp)	x	143	x
	Nuclear Repulsion Energy		211
	HOMO-LUMO Energies		209
	Barriers to Internal Rotation		0
Geometries	Cartesians		188
	Internal Coordinates	x	187	x
	Products of moments of inertia		208
	Rotational Constants	x	213	x
	Point Group		213
Vibrations	Vibrational Frequencies		208
	Vibrational Intensities		220
	Zero-point energies		208
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		181
	Dipole	x	191	x
	Quadrupole		183
	Polarizability	x	173	x
Other results	Spin		0
	Number of basis functions		5
	Conformations		1