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 C₅H₆ (1,3-Cyclopentadiene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		263
	Energy 298.15K		257
	Atomization Enthalpy 298.15K	x	54	x
	Atomization Enthalpy 0K	x	54	x
	Entropy (298.15K)	x	43	x
	Entropy at any temperature		43
	Integrated Heat Capacity	x	43	x
	Heat Capacity (Cp)	x	43	x
	Nuclear Repulsion Energy		243
	HOMO-LUMO Energies		243
	Barriers to Internal Rotation		0
Geometries	Cartesians		224
	Internal Coordinates	x	0	x
	Products of moments of inertia	x	230	x
	Rotational Constants	x	239	x
	Point Group		243
Vibrations	Vibrational Frequencies	fun.	235	x
	Vibrational Intensities		381
	Zero-point energies	x	235	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		179
	Dipole	x	182	x
	Quadrupole	x	82	x
	Polarizability		204
Other results	Spin		0
	Number of basis functions		26
	Conformations		1