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 CH₂CHSCHCH₂ (Divinyl sulfide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		672
	Energy 298.15K		601
	Atomization Enthalpy 298.15K	x	148	x
	Atomization Enthalpy 0K		152
	Entropy (298.15K)		152
	Entropy at any temperature		152
	Integrated Heat Capacity		152
	Heat Capacity (Cp)		152
	Nuclear Repulsion Energy		656
	HOMO-LUMO Energies		619
	Barriers to Internal Rotation		0
Geometries	Cartesians		650
	Internal Coordinates		650
	Products of moments of inertia		635
	Rotational Constants		648
	Point Group		656
Vibrations	Vibrational Frequencies		635
	Vibrational Intensities		628
	Zero-point energies		635
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		36
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		448
	Dipole	x	539	x
	Quadrupole		449
	Polarizability		499
Other results	Spin		0
	Number of basis functions		39
	Conformations		2	x