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 H₂OH₂CO (water formaldehyde dimer)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		214
	Energy 298.15K		203
	Atomization Enthalpy 298.15K		74
	Atomization Enthalpy 0K		75
	Entropy (298.15K)		91
	Entropy at any temperature		91
	Integrated Heat Capacity		91
	Heat Capacity (Cp)		91
	Nuclear Repulsion Energy		127
	HOMO-LUMO Energies		121
	Barriers to Internal Rotation		0
Geometries	Cartesians		149
	Internal Coordinates		148
	Products of moments of inertia		148
	Rotational Constants		151
	Point Group		154
Vibrations	Vibrational Frequencies		149
	Vibrational Intensities		151
	Zero-point energies		149
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		107
	Dipole		135
	Quadrupole		84
	Polarizability		113
Other results	Spin		0
	Number of basis functions		6
	Conformations		1