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 C₅H₁₂S (2-Butanethiol, 2-methyl-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		5
	Energy 298.15K		1
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity	x	0	x
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		4
	HOMO-LUMO Energies		4
	Barriers to Internal Rotation		0
Geometries	Cartesians		4
	Internal Coordinates		4
	Products of moments of inertia		4
	Rotational Constants		4
	Point Group		5
Vibrations	Vibrational Frequencies		3
	Vibrational Intensities		3
	Zero-point energies		3
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		4
	Dipole		4
	Quadrupole		4
	Polarizability		4
Other results	Spin		0
	Number of basis functions		0
	Conformations		1