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 NH₂CSNH₂ (Thiourea)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		258
	Energy 298.15K		250
	Atomization Enthalpy 298.15K	x	185	x
	Atomization Enthalpy 0K		189
	Entropy (298.15K)		175
	Entropy at any temperature		175
	Integrated Heat Capacity		175
	Heat Capacity (Cp)		175
	Nuclear Repulsion Energy		221
	HOMO-LUMO Energies		221
	Barriers to Internal Rotation		0
Geometries	Cartesians		205
	Internal Coordinates		204
	Products of moments of inertia	x	214	x
	Rotational Constants	x	219	x
	Point Group		219
Vibrations	Vibrational Frequencies	fun.	213	x
	Vibrational Intensities		223
	Zero-point energies		213
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		178
	Dipole		183
	Quadrupole		174
	Polarizability		168
Other results	Spin		0
	Number of basis functions		6
	Conformations		1