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 H₂CS (Thioformaldehyde)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		843
	Energy 298.15K		556
	Atomization Enthalpy 298.15K	x	22	x
	Atomization Enthalpy 0K	x	22	x
	Entropy (298.15K)		17
	Entropy at any temperature		17
	Integrated Heat Capacity		17
	Heat Capacity (Cp)		17
	Nuclear Repulsion Energy		820
	HOMO-LUMO Energies		685
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	792
	Internal Coordinates	x	792	x
	Products of moments of inertia	x	778	x
	Rotational Constants	x	788	x
	Point Group		822
Vibrations	Vibrational Frequencies	fun.	784	x
	Vibrational Intensities		917
	Zero-point energies	x	784	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		103
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		433
	Dipole	x	566	x
	Quadrupole		463
	Polarizability		504
Other results	Spin		0
	Number of basis functions		137
	Conformations		1