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 C₆H₁₀O (cyclohexanone)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		228
	Energy 298.15K		217
	Atomization Enthalpy 298.15K	x	144	x
	Atomization Enthalpy 0K		144
	Entropy (298.15K)	x	142	x
	Entropy at any temperature		142
	Integrated Heat Capacity		142
	Heat Capacity (Cp)	x	142	x
	Nuclear Repulsion Energy		216
	HOMO-LUMO Energies		166
	Barriers to Internal Rotation		0
Geometries	Cartesians		204
	Internal Coordinates	x	203	x
	Products of moments of inertia	x	215	x
	Rotational Constants	x	219	x
	Point Group		221
Vibrations	Vibrational Frequencies		216
	Vibrational Intensities		233
	Zero-point energies		216
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		157
	Dipole	x	164	x
	Quadrupole		155
	Polarizability	x	165	x
Other results	Spin		0
	Number of basis functions		7
	Conformations		1