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 C₃H₅Cl₃ (Propane, 1,2,3-trichloro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		201
	Energy 298.15K		177
	Atomization Enthalpy 298.15K	x	144	x
	Atomization Enthalpy 0K		144
	Entropy (298.15K)		146
	Entropy at any temperature		146
	Integrated Heat Capacity		146
	Heat Capacity (Cp)		146
	Nuclear Repulsion Energy		186
	HOMO-LUMO Energies		184
	Barriers to Internal Rotation		0
Geometries	Cartesians		180
	Internal Coordinates	x	179	x
	Products of moments of inertia		183
	Rotational Constants		188
	Point Group		189
Vibrations	Vibrational Frequencies		184
	Vibrational Intensities		193
	Zero-point energies		184
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		160
	Dipole		165
	Quadrupole		156
	Polarizability		150
Other results	Spin		0
	Number of basis functions		5
	Conformations		2	x