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 C₃H₆S (Thiirane, methyl-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		266
	Energy 298.15K		250
	Atomization Enthalpy 298.15K	x	171	x
	Atomization Enthalpy 0K		172
	Entropy (298.15K)		165
	Entropy at any temperature		165
	Integrated Heat Capacity		165
	Heat Capacity (Cp)		165
	Nuclear Repulsion Energy		237
	HOMO-LUMO Energies		141
	Barriers to Internal Rotation		0
Geometries	Cartesians		217
	Internal Coordinates		216
	Products of moments of inertia	x	227	x
	Rotational Constants	x	232	x
	Point Group		235
Vibrations	Vibrational Frequencies		224
	Vibrational Intensities		242
	Zero-point energies		224
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		183
	Dipole	x	209	x
	Quadrupole		191
	Polarizability		175
Other results	Spin		0
	Number of basis functions		6
	Conformations		1