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 ZnCH₃ (Zinc monomethyl)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		219
	Energy 298.15K		55
	Atomization Enthalpy 298.15K		4
	Atomization Enthalpy 0K		140
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		213
	HOMO-LUMO Energies		216
	Barriers to Internal Rotation		0
Geometries	Cartesians		216
	Internal Coordinates		215
	Products of moments of inertia		55
	Rotational Constants		57
	Point Group		217
Vibrations	Vibrational Frequencies	fun.	212	x
	Vibrational Intensities		203
	Zero-point energies		212
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		137
	Dipole		140
	Quadrupole		135
	Polarizability		130
Other results	Spin		214
	Number of basis functions		5
	Conformations		1