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 CHBr₃ (bromoform)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		273
	Energy 298.15K		261
	Atomization Enthalpy 298.15K	x	172	x
	Atomization Enthalpy 0K		172
	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		246
	HOMO-LUMO Energies		249
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	249
	Internal Coordinates	x	248	x
	Products of moments of inertia		246
	Rotational Constants	x	250	x
	Point Group		252
Vibrations	Vibrational Frequencies	fun.	245	x
	Vibrational Intensities		262
	Zero-point energies	x	245	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		167
	Dipole	x	192	x
	Quadrupole		175
	Polarizability	x	178	x
Other results	Spin		0
	Number of basis functions		6
	Conformations		1