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 CH₃CHCHCH₃ (2-Butene, (E)-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		295
	Energy 298.15K		288
	Atomization Enthalpy 298.15K	x	223	x
	Atomization Enthalpy 0K		222
	Entropy (298.15K)	x	197	x
	Entropy at any temperature		197
	Integrated Heat Capacity	x	197	x
	Heat Capacity (Cp)	x	195	x
	Nuclear Repulsion Energy		252
	HOMO-LUMO Energies		229
	Barriers to Internal Rotation		0
Geometries	Cartesians		223
	Internal Coordinates	x	222	x
	Products of moments of inertia		238
	Rotational Constants		243
	Point Group		243
Vibrations	Vibrational Frequencies	fun.	241	x
	Vibrational Intensities		251
	Zero-point energies		241
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		188
	Dipole	x	192	x
	Quadrupole		186
	Polarizability	x	176	x
Other results	Spin		0
	Number of basis functions		7
	Conformations		1