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 CH₃OHH₂O (methanol water dimer)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		199
	Energy 298.15K		177
	Atomization Enthalpy 298.15K		60
	Atomization Enthalpy 0K		62
	Entropy (298.15K)		75
	Entropy at any temperature		75
	Integrated Heat Capacity		75
	Heat Capacity (Cp)		75
	Nuclear Repulsion Energy		104
	HOMO-LUMO Energies		113
	Barriers to Internal Rotation		225
Geometries	Cartesians		137
	Internal Coordinates		136
	Products of moments of inertia		135
	Rotational Constants		138
	Point Group		139
Vibrations	Vibrational Frequencies		134
	Vibrational Intensities		140
	Zero-point energies		134
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		124
	Dipole		127
	Quadrupole		121
	Polarizability		127
Other results	Spin		0
	Number of basis functions		6
	Conformations		1