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 PBr (Phosphorus monobromide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		649
	Energy 298.15K		625
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		650
	HOMO-LUMO Energies		553
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	650
	Internal Coordinates	x	14	x
	Products of moments of inertia	x	642	x
	Rotational Constants	x	650	x
	Point Group		651
Vibrations	Vibrational Frequencies	har.	644	x
	Vibrational Intensities		552
	Zero-point energies	x	644	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		406
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		373
	Dipole		501
	Quadrupole		410
	Polarizability		397
Other results	Spin		650
	Number of basis functions		33
	Conformations		1