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 CO₃^-- (carbonate)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		242
	Energy 298.15K		112
	Atomization Enthalpy 298.15K		37
	Atomization Enthalpy 0K		85
	Entropy (298.15K)		50
	Entropy at any temperature		50
	Integrated Heat Capacity		50
	Heat Capacity (Cp)		50
	Nuclear Repulsion Energy		226
	HOMO-LUMO Energies		229
	Barriers to Internal Rotation		0
Geometries	Cartesians		220
	Internal Coordinates		219
	Products of moments of inertia		108
	Rotational Constants		110
	Point Group		230
Vibrations	Vibrational Frequencies		227
	Vibrational Intensities		229
	Zero-point energies		227
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		134
	Dipole		154
	Quadrupole		150
	Polarizability		156
Other results	Spin		0
	Number of basis functions		37
	Conformations		1