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 C₆H₁₂O (Oxepane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		455
	Energy 298.15K		10
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		470
	HOMO-LUMO Energies		470
	Barriers to Internal Rotation		0
Geometries	Cartesians		470
	Internal Coordinates		470
	Products of moments of inertia		463
	Rotational Constants		470
	Point Group		471
Vibrations	Vibrational Frequencies		450
	Vibrational Intensities		450
	Zero-point energies		450
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		30
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		324
	Dipole		406
	Quadrupole		361
	Polarizability		378
Other results	Spin		0
	Number of basis functions		32
	Conformations		1