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 H₂OCH₃OH (water methanol dimer)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		207
	Energy 298.15K		201
	Atomization Enthalpy 298.15K		75
	Atomization Enthalpy 0K		78
	Entropy (298.15K)		90
	Entropy at any temperature		90
	Integrated Heat Capacity		90
	Heat Capacity (Cp)		90
	Nuclear Repulsion Energy		143
	HOMO-LUMO Energies		124
	Barriers to Internal Rotation		0
Geometries	Cartesians		144
	Internal Coordinates		143
	Products of moments of inertia		142
	Rotational Constants		145
	Point Group		147
Vibrations	Vibrational Frequencies		143
	Vibrational Intensities		147
	Zero-point energies		143
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		128
	Dipole		132
	Quadrupole		130
	Polarizability		131
Other results	Spin		0
	Number of basis functions		6
	Conformations		1