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 CH₃CH(NH₂)CH₃ (2-Propanamine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		287
	Energy 298.15K		275
	Atomization Enthalpy 298.15K	x	194	x
	Atomization Enthalpy 0K	x	194	x
	Entropy (298.15K)	x	168	x
	Entropy at any temperature		168
	Integrated Heat Capacity	x	168	x
	Heat Capacity (Cp)	x	168	x
	Nuclear Repulsion Energy		247
	HOMO-LUMO Energies		249
	Barriers to Internal Rotation		0
Geometries	Cartesians		222
	Internal Coordinates		221
	Products of moments of inertia	x	238	x
	Rotational Constants	x	243	x
	Point Group		244
Vibrations	Vibrational Frequencies		236
	Vibrational Intensities		255
	Zero-point energies		236
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		194
	Dipole	x	219	x
	Quadrupole		200
	Polarizability	x	183	x
Other results	Spin		0
	Number of basis functions		6
	Conformations		1