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 C₅H₁₂O (1-Pentanol)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		214
	Energy 298.15K		211
	Atomization Enthalpy 298.15K	x	156	x
	Atomization Enthalpy 0K	x	156	x
	Entropy (298.15K)		149
	Entropy at any temperature		149
	Integrated Heat Capacity		148
	Heat Capacity (Cp)	x	148	x
	Nuclear Repulsion Energy		198
	HOMO-LUMO Energies		195
	Barriers to Internal Rotation		0
Geometries	Cartesians		175
	Internal Coordinates		174
	Products of moments of inertia		194
	Rotational Constants		199
	Point Group		200
Vibrations	Vibrational Frequencies		196
	Vibrational Intensities		205
	Zero-point energies		196
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		170
	Dipole		175
	Quadrupole		167
	Polarizability	x	158	x
Other results	Spin		0
	Number of basis functions		5
	Conformations		1