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 NH₂CH₂CH₂CH₃ (1-Propanamine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		516
	Energy 298.15K		454
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K	x	0	x
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity	x	0	x
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		502
	HOMO-LUMO Energies		457
	Barriers to Internal Rotation		50
Geometries	Cartesians		499
	Internal Coordinates		499
	Products of moments of inertia		491
	Rotational Constants		499
	Point Group		518
Vibrations	Vibrational Frequencies		473
	Vibrational Intensities		491
	Zero-point energies		473
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		303
	Dipole	x	416	x
	Quadrupole		340
	Polarizability	x	358	x
Other results	Spin		0
	Number of basis functions		30
	Conformations		1