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 C(CH₃)₃NH₂ (2-Propanamine, 2-methyl-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		90
	Energy 298.15K		80
	Atomization Enthalpy 298.15K	x	29	x
	Atomization Enthalpy 0K	x	32	x
	Entropy (298.15K)	x	26	x
	Entropy at any temperature		26
	Integrated Heat Capacity	x	26	x
	Heat Capacity (Cp)	x	26	x
	Nuclear Repulsion Energy		83
	HOMO-LUMO Energies		82
	Barriers to Internal Rotation		0
Geometries	Cartesians		58
	Internal Coordinates	x	58	x
	Products of moments of inertia		78
	Rotational Constants		82
	Point Group		82
Vibrations	Vibrational Frequencies		80
	Vibrational Intensities		79
	Zero-point energies		80
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		70
	Dipole		70
	Quadrupole		65
	Polarizability		71
Other results	Spin		0
	Number of basis functions		3
	Conformations		1