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 C₇H₁₄ (cycloheptane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		327
	Energy 298.15K		296
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		326
	HOMO-LUMO Energies		307
	Barriers to Internal Rotation		0
Geometries	Cartesians		308
	Internal Coordinates		307
	Products of moments of inertia		299
	Rotational Constants		308
	Point Group		330
Vibrations	Vibrational Frequencies		302
	Vibrational Intensities		306
	Zero-point energies		302
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		221
	Dipole		283
	Quadrupole		257
	Polarizability		258
Other results	Spin		0
	Number of basis functions		30
	Conformations		2	x