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 C₄H₁₀O (2-Butanol, (.+/-.)-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		223
	Energy 298.15K		217
	Atomization Enthalpy 298.15K	x	161	x
	Atomization Enthalpy 0K		165
	Entropy (298.15K)		157
	Entropy at any temperature		157
	Integrated Heat Capacity		157
	Heat Capacity (Cp)		157
	Nuclear Repulsion Energy		212
	HOMO-LUMO Energies		208
	Barriers to Internal Rotation		0
Geometries	Cartesians		188
	Internal Coordinates		187
	Products of moments of inertia		206
	Rotational Constants		211
	Point Group		211
Vibrations	Vibrational Frequencies		209
	Vibrational Intensities		219
	Zero-point energies		209
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		175
	Dipole		182
	Quadrupole		176
	Polarizability	x	164	x
Other results	Spin		0
	Number of basis functions		6
	Conformations		1