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 C₅H₈ (1,2-Pentadiene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		228
	Energy 298.15K		217
	Atomization Enthalpy 298.15K	x	158	x
	Atomization Enthalpy 0K	x	162	x
	Entropy (298.15K)	x	154	x
	Entropy at any temperature		154
	Integrated Heat Capacity	x	154	x
	Heat Capacity (Cp)	x	154	x
	Nuclear Repulsion Energy		218
	HOMO-LUMO Energies		124
	Barriers to Internal Rotation		0
Geometries	Cartesians		188
	Internal Coordinates		187
	Products of moments of inertia		209
	Rotational Constants		213
	Point Group		216
Vibrations	Vibrational Frequencies	fun.	213	x
	Vibrational Intensities		226
	Zero-point energies		213
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		185
	Dipole		188
	Quadrupole		182
	Polarizability		170
Other results	Spin		0
	Number of basis functions		6
	Conformations		1