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 C₅H₁₁Cl (Pentane, 1-chloro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		212
	Energy 298.15K		209
	Atomization Enthalpy 298.15K	x	146	x
	Atomization Enthalpy 0K		145
	Entropy (298.15K)		147
	Entropy at any temperature		147
	Integrated Heat Capacity		147
	Heat Capacity (Cp)	x	147	x
	Nuclear Repulsion Energy		197
	HOMO-LUMO Energies		194
	Barriers to Internal Rotation		0
Geometries	Cartesians		183
	Internal Coordinates		182
	Products of moments of inertia		194
	Rotational Constants		199
	Point Group		200
Vibrations	Vibrational Frequencies		195
	Vibrational Intensities		205
	Zero-point energies		195
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		164
	Dipole	x	174	x
	Quadrupole		165
	Polarizability	x	158	x
Other results	Spin		0
	Number of basis functions		5
	Conformations		1