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 C₃H₈O₃ (1,2,3-Propanetriol)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		212
	Energy 298.15K		210
	Atomization Enthalpy 298.15K	x	152	x
	Atomization Enthalpy 0K		151
	Entropy (298.15K)		145
	Entropy at any temperature		145
	Integrated Heat Capacity		145
	Heat Capacity (Cp)		145
	Nuclear Repulsion Energy		199
	HOMO-LUMO Energies		198
	Barriers to Internal Rotation		0
Geometries	Cartesians		177
	Internal Coordinates		0
	Products of moments of inertia	x	196	x
	Rotational Constants	x	201	x
	Point Group		201
Vibrations	Vibrational Frequencies		198
	Vibrational Intensities		207
	Zero-point energies		198
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		172
	Dipole		177
	Quadrupole		122
	Polarizability	x	163	x
Other results	Spin		0
	Number of basis functions		5
	Conformations		1