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 CHSNH₂ (thioformamide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		521
	Energy 298.15K		470
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		522
	HOMO-LUMO Energies		471
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	522
	Internal Coordinates	x	522	x
	Products of moments of inertia	x	514	x
	Rotational Constants	x	522	x
	Point Group		523
Vibrations	Vibrational Frequencies	fun.	521	x
	Vibrational Intensities		496
	Zero-point energies	x	521	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		190
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		300
	Dipole	x	421	x
	Quadrupole		341
	Polarizability		357
Other results	Spin		0
	Number of basis functions		31
	Conformations		1