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 C₅H₁₀S (Cyclopentanethiol)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		204
	Energy 298.15K		195
	Atomization Enthalpy 298.15K	x	143	x
	Atomization Enthalpy 0K		143
	Entropy (298.15K)		144
	Entropy at any temperature		144
	Integrated Heat Capacity		144
	Heat Capacity (Cp)		144
	Nuclear Repulsion Energy		192
	HOMO-LUMO Energies		191
	Barriers to Internal Rotation		0
Geometries	Cartesians		179
	Internal Coordinates		0
	Products of moments of inertia		190
	Rotational Constants		195
	Point Group		195
Vibrations	Vibrational Frequencies		191
	Vibrational Intensities		200
	Zero-point energies		191
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		164
	Dipole		170
	Quadrupole		164
	Polarizability		156
Other results	Spin		0
	Number of basis functions		5
	Conformations		1