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 CH₂I₂ (Diiodomethane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		221
	Energy 298.15K		3
	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		231
	HOMO-LUMO Energies		205
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	231
	Internal Coordinates	x	231	x
	Products of moments of inertia	x	228	x
	Rotational Constants	x	231	x
	Point Group		232
Vibrations	Vibrational Frequencies	fun.	231	x
	Vibrational Intensities		205
	Zero-point energies	x	231	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		159
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		128
	Dipole		176
	Quadrupole		146
	Polarizability		153
Other results	Spin		0
	Number of basis functions		14
	Conformations		1