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 (1,3-Dioxane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		245
	Energy 298.15K		231
	Atomization Enthalpy 298.15K	x	5	x
	Atomization Enthalpy 0K		165
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		237
	HOMO-LUMO Energies		233
	Barriers to Internal Rotation		0
Geometries	Cartesians		237
	Internal Coordinates	x	236	x
	Products of moments of inertia		230
	Rotational Constants		236
	Point Group		242
Vibrations	Vibrational Frequencies		244
	Vibrational Intensities		255
	Zero-point energies		244
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		166
	Dipole	x	172	x
	Quadrupole		166
	Polarizability		173
Other results	Spin		0
	Number of basis functions		6
	Conformations		2	x