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 C₄H₁₀O₂ (1,4-Butanediol)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		235
	Energy 298.15K		219
	Atomization Enthalpy 298.15K	x	159	x
	Atomization Enthalpy 0K		158
	Entropy (298.15K)		150
	Entropy at any temperature		150
	Integrated Heat Capacity		150
	Heat Capacity (Cp)		150
	Nuclear Repulsion Energy		220
	HOMO-LUMO Energies		220
	Barriers to Internal Rotation		0
Geometries	Cartesians		196
	Internal Coordinates		0
	Products of moments of inertia		215
	Rotational Constants		222
	Point Group		222
Vibrations	Vibrational Frequencies		218
	Vibrational Intensities		226
	Zero-point energies		218
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		187
	Dipole		191
	Quadrupole		185
	Polarizability		177
Other results	Spin		0
	Number of basis functions		8
	Conformations		2	x