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 (1,4-Pentadiene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		261
	Energy 298.15K		251
	Atomization Enthalpy 298.15K	x	180	x
	Atomization Enthalpy 0K	x	181	x
	Entropy (298.15K)	x	180	x
	Entropy at any temperature		180
	Integrated Heat Capacity	x	180	x
	Heat Capacity (Cp)	x	180	x
	Nuclear Repulsion Energy		247
	HOMO-LUMO Energies		246
	Barriers to Internal Rotation		275
Geometries	Cartesians		222
	Internal Coordinates	x	221	x
	Products of moments of inertia		245
	Rotational Constants		250
	Point Group		250
Vibrations	Vibrational Frequencies	fun.	241	x
	Vibrational Intensities		252
	Zero-point energies	x	241	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		232
	Dipole		185
	Quadrupole		178
	Polarizability		203
Other results	Spin		0
	Number of basis functions		7
	Conformations		1