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 C₄H₆S (Thiophene, 2,3-dihydro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		221
	Energy 298.15K		216
	Atomization Enthalpy 298.15K	x	155	x
	Atomization Enthalpy 0K	x	159	x
	Entropy (298.15K)	x	158	x
	Entropy at any temperature		158
	Integrated Heat Capacity	x	158	x
	Heat Capacity (Cp)	x	158	x
	Nuclear Repulsion Energy		204
	HOMO-LUMO Energies		203
	Barriers to Internal Rotation		0
Geometries	Cartesians		190
	Internal Coordinates		189
	Products of moments of inertia	x	200	x
	Rotational Constants	x	205	x
	Point Group		205
Vibrations	Vibrational Frequencies	fun.	201	x
	Vibrational Intensities		212
	Zero-point energies		201
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		168
	Dipole		175
	Quadrupole		167
	Polarizability		158
Other results	Spin		0
	Number of basis functions		6
	Conformations		1