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 C₂H₄S (Thiirane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		718
	Energy 298.15K		653
	Atomization Enthalpy 298.15K	x	24	x
	Atomization Enthalpy 0K	x	24	x
	Entropy (298.15K)	x	18	x
	Entropy at any temperature		18
	Integrated Heat Capacity	x	18	x
	Heat Capacity (Cp)	x	18	x
	Nuclear Repulsion Energy		696
	HOMO-LUMO Energies		590
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	667
	Internal Coordinates	x	667	x
	Products of moments of inertia	x	660	x
	Rotational Constants	x	670	x
	Point Group		698
Vibrations	Vibrational Frequencies	fun.	655	x
	Vibrational Intensities		771
	Zero-point energies	x	655	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		376
	Dipole	x	503	x
	Quadrupole	x	409	x
	Polarizability	x	443	x
Other results	Spin		0
	Number of basis functions		27
	Conformations		1