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 C₄H₄S (Thiophene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		240
	Energy 298.15K		228
	Atomization Enthalpy 298.15K	x	159	x
	Atomization Enthalpy 0K	x	166	x
	Entropy (298.15K)	x	163	x
	Entropy at any temperature		163
	Integrated Heat Capacity	x	163	x
	Heat Capacity (Cp)	x	163	x
	Nuclear Repulsion Energy		218
	HOMO-LUMO Energies		216
	Barriers to Internal Rotation		0
Geometries	Cartesians		203
	Internal Coordinates	x	202	x
	Products of moments of inertia	x	214	x
	Rotational Constants	x	219	x
	Point Group		219
Vibrations	Vibrational Frequencies	fun.	215	x
	Vibrational Intensities		231
	Zero-point energies	x	215	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		178
	Dipole	x	189	x
	Quadrupole	x	130	x
	Polarizability	x	169	x
Other results	Spin		0
	Number of basis functions		6
	Conformations		1