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 CH₃OH (Methyl alcohol)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		724
	Energy 298.15K		434
	Atomization Enthalpy 298.15K	x	73	x
	Atomization Enthalpy 0K	x	74	x
	Entropy (298.15K)	x	39	x
	Entropy at any temperature		39
	Integrated Heat Capacity	x	39	x
	Heat Capacity (Cp)	x	39	x
	Nuclear Repulsion Energy		687
	HOMO-LUMO Energies		369
	Barriers to Internal Rotation	x	473	x
Geometries	Cartesians	x	370
	Internal Coordinates	x	370	x
	Products of moments of inertia	x	656	x
	Rotational Constants	x	665	x
	Point Group		667
Vibrations	Vibrational Frequencies	fun.	655	x
	Vibrational Intensities		1209
	Zero-point energies	x	655	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		397
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		268
	Dipole	x	322	x
	Quadrupole		424
	Polarizability	x	446	x
Other results	Spin		10
	Number of basis functions		162
	Conformations		1