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 CH₂CHCHClCH₃ (1-Butene, 3-chloro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		217
	Energy 298.15K		213
	Atomization Enthalpy 298.15K	x	152	x
	Atomization Enthalpy 0K		155
	Entropy (298.15K)		157
	Entropy at any temperature		157
	Integrated Heat Capacity		157
	Heat Capacity (Cp)		157
	Nuclear Repulsion Energy		205
	HOMO-LUMO Energies		200
	Barriers to Internal Rotation		0
Geometries	Cartesians		187
	Internal Coordinates	x	0	x
	Products of moments of inertia		200
	Rotational Constants		205
	Point Group		205
Vibrations	Vibrational Frequencies	fun.	202	x
	Vibrational Intensities		213
	Zero-point energies	x	202	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		167
	Dipole		173
	Quadrupole		167
	Polarizability		156
Other results	Spin		0
	Number of basis functions		6
	Conformations		1