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 C₆H₅OCH₃ (Anisole)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		226
	Energy 298.15K		222
	Atomization Enthalpy 298.15K	x	157	x
	Atomization Enthalpy 0K		156
	Entropy (298.15K)		152
	Entropy at any temperature		152
	Integrated Heat Capacity		152
	Heat Capacity (Cp)		152
	Nuclear Repulsion Energy		223
	HOMO-LUMO Energies		221
	Barriers to Internal Rotation		0
Geometries	Cartesians		210
	Internal Coordinates	x	209	x
	Products of moments of inertia	x	223	x
	Rotational Constants	x	228	x
	Point Group		228
Vibrations	Vibrational Frequencies		217
	Vibrational Intensities		231
	Zero-point energies		217
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		204
	Dipole	x	168	x
	Quadrupole		162
	Polarizability	x	167	x
Other results	Spin		0
	Number of basis functions		8
	Conformations		1