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 DF (Hydrofluoric acid-d)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		385
	Energy 298.15K		104
	Atomization Enthalpy 298.15K	x	89	x
	Atomization Enthalpy 0K	x	89	x
	Entropy (298.15K)	x	48	x
	Entropy at any temperature		48
	Integrated Heat Capacity	x	48	x
	Heat Capacity (Cp)	x	48	x
	Nuclear Repulsion Energy		335
	HOMO-LUMO Energies		337
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	301
	Internal Coordinates	x	300	x
	Products of moments of inertia	x	311	x
	Rotational Constants	x	316	x
	Point Group		321
Vibrations	Vibrational Frequencies	har.	12	x
	Vibrational Intensities		11
	Zero-point energies	x	12	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		209
	Dipole		195
	Quadrupole		185
	Polarizability		201
Other results	Spin		0
	Number of basis functions		9
	Conformations		1