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 C₁₂H₁₀ (Heptalene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		272
	Energy 298.15K		250
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		270
	HOMO-LUMO Energies		264
	Barriers to Internal Rotation		0
Geometries	Cartesians		261
	Internal Coordinates		260
	Products of moments of inertia		250
	Rotational Constants		256
	Point Group		274
Vibrations	Vibrational Frequencies		253
	Vibrational Intensities		258
	Zero-point energies		253
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		195
	Dipole		250
	Quadrupole		227
	Polarizability		227
Other results	Spin		0
	Number of basis functions		24
	Conformations		1