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 C₁₄H₁₀ (Phenanthrene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		33
	Energy 298.15K		25
	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)	x	0	x
	Nuclear Repulsion Energy		31
	HOMO-LUMO Energies		32
	Barriers to Internal Rotation		0
Geometries	Cartesians		32
	Internal Coordinates		31
	Products of moments of inertia	x	31	x
	Rotational Constants	x	32	x
	Point Group		35
Vibrations	Vibrational Frequencies	fun.	27	x
	Vibrational Intensities		27
	Zero-point energies		27
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		24
	Dipole		29
	Quadrupole		25
	Polarizability	x	26	x
Other results	Spin		0
	Number of basis functions		1
	Conformations		1