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 C₆H₈ (Bicyclo[2.2.0]hex-1(4)-ene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		247
	Energy 298.15K		242
	Atomization Enthalpy 298.15K	x	177	x
	Atomization Enthalpy 0K		176
	Entropy (298.15K)		176
	Entropy at any temperature		176
	Integrated Heat Capacity		176
	Heat Capacity (Cp)		176
	Nuclear Repulsion Energy		237
	HOMO-LUMO Energies		237
	Barriers to Internal Rotation		0
Geometries	Cartesians		224
	Internal Coordinates		223
	Products of moments of inertia		232
	Rotational Constants		237
	Point Group		237
Vibrations	Vibrational Frequencies		232
	Vibrational Intensities		243
	Zero-point energies		232
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		173
	Dipole	x	177	x
	Quadrupole		171
	Polarizability		181
Other results	Spin		0
	Number of basis functions		7
	Conformations		1