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 C₆H₅OH (phenol)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		215
	Energy 298.15K		209
	Atomization Enthalpy 298.15K	x	149	x
	Atomization Enthalpy 0K		151
	Entropy (298.15K)		139
	Entropy at any temperature		139
	Integrated Heat Capacity		139
	Heat Capacity (Cp)	x	139	x
	Nuclear Repulsion Energy		202
	HOMO-LUMO Energies		200
	Barriers to Internal Rotation	x	300	x
Geometries	Cartesians		188
	Internal Coordinates	x	187	x
	Products of moments of inertia	x	201	x
	Rotational Constants	x	205	x
	Point Group		207
Vibrations	Vibrational Frequencies		201
	Vibrational Intensities		211
	Zero-point energies		201
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		173
	Dipole	x	182	x
	Quadrupole		172
	Polarizability	x	179	x
Other results	Spin		0
	Number of basis functions		7
	Conformations		1