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 BCl₃ (Borane, trichloro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		686
	Energy 298.15K		655
	Atomization Enthalpy 298.15K	x	50	x
	Atomization Enthalpy 0K	x	59	x
	Entropy (298.15K)	x	41	x
	Entropy at any temperature		41
	Integrated Heat Capacity	x	41	x
	Heat Capacity (Cp)	x	41	x
	Nuclear Repulsion Energy		659
	HOMO-LUMO Energies		574
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	650
	Internal Coordinates	x	650	x
	Products of moments of inertia		642
	Rotational Constants		651
	Point Group		652
Vibrations	Vibrational Frequencies	fun.	638	x
	Vibrational Intensities		766
	Zero-point energies	x	638	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		421
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		369
	Dipole	x	510	x
	Quadrupole		417
	Polarizability	x	428	x
Other results	Spin		0
	Number of basis functions		70
	Conformations		1