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 INO (Nitrosyl iodide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		122
	Energy 298.15K		118
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		115
	HOMO-LUMO Energies		115
	Barriers to Internal Rotation		0
Geometries	Cartesians		123
	Internal Coordinates		123
	Products of moments of inertia	x	122	x
	Rotational Constants	x	123	x
	Point Group		124
Vibrations	Vibrational Frequencies	fun.	123	x
	Vibrational Intensities		115
	Zero-point energies	x	123	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		76
	Dipole		104
	Quadrupole		86
	Polarizability		92
Other results	Spin		0
	Number of basis functions		9
	Conformations		1