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 D₂S (Hydrogen sulfide-d2)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		324
	Energy 298.15K		288
	Atomization Enthalpy 298.15K	x	191	x
	Atomization Enthalpy 0K	x	194	x
	Entropy (298.15K)	x	161	x
	Entropy at any temperature		161
	Integrated Heat Capacity	x	161	x
	Heat Capacity (Cp)	x	161	x
	Nuclear Repulsion Energy		285
	HOMO-LUMO Energies		289
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	270
	Internal Coordinates	x	269	x
	Products of moments of inertia	x	267	x
	Rotational Constants	x	272	x
	Point Group		273
Vibrations	Vibrational Frequencies	fun.	244	x
	Vibrational Intensities		231
	Zero-point energies	x	244	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		202
	Dipole		195
	Quadrupole		136
	Polarizability		146
Other results	Spin		0
	Number of basis functions		5
	Conformations		1