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 C₆H₇N (2-Methylpyridine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		52
	Energy 298.15K		32
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		50
	HOMO-LUMO Energies		52
	Barriers to Internal Rotation		0
Geometries	Cartesians		53
	Internal Coordinates		52
	Products of moments of inertia		48
	Rotational Constants		52
	Point Group		54
Vibrations	Vibrational Frequencies		49
	Vibrational Intensities		49
	Zero-point energies		49
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		43
	Dipole		47
	Quadrupole		42
	Polarizability		48
Other results	Spin		0
	Number of basis functions		4
	Conformations		1