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 C₄H₈O₂ (1,4-Dioxane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		219
	Energy 298.15K		216
	Atomization Enthalpy 298.15K	x	155	x
	Atomization Enthalpy 0K		154
	Entropy (298.15K)		149
	Entropy at any temperature		149
	Integrated Heat Capacity		149
	Heat Capacity (Cp)	x	149	x
	Nuclear Repulsion Energy		206
	HOMO-LUMO Energies		204
	Barriers to Internal Rotation		0
Geometries	Cartesians		182
	Internal Coordinates		0
	Products of moments of inertia		203
	Rotational Constants		208
	Point Group		208
Vibrations	Vibrational Frequencies	fun.	204	x
	Vibrational Intensities		214
	Zero-point energies	x	204	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		176
	Dipole		181
	Quadrupole		124
	Polarizability	x	165	x
Other results	Spin		0
	Number of basis functions		5
	Conformations		1