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 CH₆N₄S (Carbonothioic dihydrazide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		206
	Energy 298.15K		182
	Atomization Enthalpy 298.15K	x	138	x
	Atomization Enthalpy 0K		140
	Entropy (298.15K)		135
	Entropy at any temperature		135
	Integrated Heat Capacity		135
	Heat Capacity (Cp)		135
	Nuclear Repulsion Energy		196
	HOMO-LUMO Energies		193
	Barriers to Internal Rotation		0
Geometries	Cartesians		182
	Internal Coordinates		181
	Products of moments of inertia		193
	Rotational Constants		198
	Point Group		200
Vibrations	Vibrational Frequencies		191
	Vibrational Intensities		196
	Zero-point energies		191
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		168
	Dipole		174
	Quadrupole		163
	Polarizability		158
Other results	Spin		0
	Number of basis functions		0
	Conformations		1