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 DCl (Hydrochloric acid-d)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		313
	Energy 298.15K		276
	Atomization Enthalpy 298.15K	x	195	x
	Atomization Enthalpy 0K	x	198	x
	Entropy (298.15K)	x	184	x
	Entropy at any temperature		184
	Integrated Heat Capacity	x	184	x
	Heat Capacity (Cp)	x	184	x
	Nuclear Repulsion Energy		276
	HOMO-LUMO Energies		277
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	258
	Internal Coordinates	x	257	x
	Products of moments of inertia	x	256	x
	Rotational Constants	x	261	x
	Point Group		264
Vibrations	Vibrational Frequencies	fun. har.	234	x
	Vibrational Intensities		217
	Zero-point energies	x	234	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		197
	Dipole		189
	Quadrupole		129
	Polarizability		176
Other results	Spin		0
	Number of basis functions		6
	Conformations		1