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 C₃H₅Cl (1-Propene, 3-chloro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		255
	Energy 298.15K		234
	Atomization Enthalpy 298.15K	x	172	x
	Atomization Enthalpy 0K		171
	Entropy (298.15K)		173
	Entropy at any temperature		173
	Integrated Heat Capacity		173
	Heat Capacity (Cp)		173
	Nuclear Repulsion Energy		232
	HOMO-LUMO Energies		237
	Barriers to Internal Rotation		25
Geometries	Cartesians		236
	Internal Coordinates		235
	Products of moments of inertia		224
	Rotational Constants		228
	Point Group		237
Vibrations	Vibrational Frequencies		220
	Vibrational Intensities		232
	Zero-point energies		220
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		159
	Dipole	x	169	x
	Quadrupole		162
	Polarizability	x	152	x
Other results	Spin		0
	Number of basis functions		7
	Conformations		1