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 CHCl₃ (Chloroform)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		400
	Energy 298.15K		396
	Atomization Enthalpy 298.15K	x	57	x
	Atomization Enthalpy 0K	x	61	x
	Entropy (298.15K)	x	49	x
	Entropy at any temperature		49
	Integrated Heat Capacity	x	49	x
	Heat Capacity (Cp)	x	49	x
	Nuclear Repulsion Energy		471
	HOMO-LUMO Energies		468
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	463
	Internal Coordinates	x	463	x
	Products of moments of inertia	x	461	x
	Rotational Constants	x	465	x
	Point Group		466
Vibrations	Vibrational Frequencies	fun.	464	x
	Vibrational Intensities		661
	Zero-point energies	x	464	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		417
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		360
	Dipole	x	415	x
	Quadrupole		382
	Polarizability	x	411	x
Other results	Spin		0
	Number of basis functions		33
	Conformations		1