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 HCOOHH₂O (Formic acid water dimer)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		203
	Energy 298.15K		193
	Atomization Enthalpy 298.15K		72
	Atomization Enthalpy 0K		73
	Entropy (298.15K)		85
	Entropy at any temperature		85
	Integrated Heat Capacity		85
	Heat Capacity (Cp)		85
	Nuclear Repulsion Energy		141
	HOMO-LUMO Energies		114
	Barriers to Internal Rotation		0
Geometries	Cartesians		142
	Internal Coordinates		141
	Products of moments of inertia		140
	Rotational Constants		143
	Point Group		146
Vibrations	Vibrational Frequencies		141
	Vibrational Intensities		143
	Zero-point energies		141
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		132
	Dipole		136
	Quadrupole		131
	Polarizability		133
Other results	Spin		0
	Number of basis functions		3
	Conformations		1