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 H₂OHCOOH (Water formic acid dimer 1)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		198
	Energy 298.15K		183
	Atomization Enthalpy 298.15K		63
	Atomization Enthalpy 0K		65
	Entropy (298.15K)		80
	Entropy at any temperature		80
	Integrated Heat Capacity		80
	Heat Capacity (Cp)		80
	Nuclear Repulsion Energy		137
	HOMO-LUMO Energies		112
	Barriers to Internal Rotation		0
Geometries	Cartesians		139
	Internal Coordinates		138
	Products of moments of inertia		135
	Rotational Constants		139
	Point Group		142
Vibrations	Vibrational Frequencies		135
	Vibrational Intensities		140
	Zero-point energies		135
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		127
	Dipole		131
	Quadrupole		126
	Polarizability		129
Other results	Spin		0
	Number of basis functions		4
	Conformations		1