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 (Thietane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		283
	Energy 298.15K		266
	Atomization Enthalpy 298.15K	x	178	x
	Atomization Enthalpy 0K		182
	Entropy (298.15K)	x	169	x
	Entropy at any temperature		169
	Integrated Heat Capacity	x	169	x
	Heat Capacity (Cp)	x	169	x
	Nuclear Repulsion Energy		245
	HOMO-LUMO Energies		242
	Barriers to Internal Rotation		203
Geometries	Cartesians		228
	Internal Coordinates	x	228	x
	Products of moments of inertia	x	238	x
	Rotational Constants	x	243	x
	Point Group		243
Vibrations	Vibrational Frequencies	fun.	233	x
	Vibrational Intensities		257
	Zero-point energies		233
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		185
	Dipole	x	212	x
	Quadrupole	x	193	x
	Polarizability		179
Other results	Spin		0
	Number of basis functions		7
	Conformations		1