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 C₆H₅COC₆H₅ (benzophenone)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		374
	Energy 298.15K		11
	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)		0
	Nuclear Repulsion Energy		22
	HOMO-LUMO Energies		19
	Barriers to Internal Rotation		0
Geometries	Cartesians		367
	Internal Coordinates		25
	Products of moments of inertia		20
	Rotational Constants		20
	Point Group		24
Vibrations	Vibrational Frequencies		17
	Vibrational Intensities		17
	Zero-point energies		17
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		7
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		271
	Dipole		328
	Quadrupole		20
	Polarizability		20
Other results	Spin		0
	Number of basis functions		0
	Conformations		2	x