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 C₅H₅^- (cylopentadienyl anion)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		256
	Energy 298.15K		244
	Atomization Enthalpy 298.15K		2
	Atomization Enthalpy 0K		176
	Entropy (298.15K)		176
	Entropy at any temperature		176
	Integrated Heat Capacity		176
	Heat Capacity (Cp)		176
	Nuclear Repulsion Energy		243
	HOMO-LUMO Energies		246
	Barriers to Internal Rotation		0
Geometries	Cartesians		235
	Internal Coordinates		234
	Products of moments of inertia		241
	Rotational Constants		246
	Point Group		247
Vibrations	Vibrational Frequencies	fun.	243	x
	Vibrational Intensities		244
	Zero-point energies	x	243	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		136
	Dipole		158
	Quadrupole		153
	Polarizability		161
Other results	Spin		0
	Number of basis functions		9
	Conformations		1