I.B.3. (II.A.2.)

All data (experiment and calculated) in the CCCBDB for ClNO (Nitrosyl chloride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		242
	Energy 298.15K		221
	Atomization Enthalpy 298.15K	x	216	x
	Atomization Enthalpy 0K	x	226	x
	Entropy (298.15K)	x	205	x
	Entropy at any temperature		205
	Integrated Heat Capacity	x	205	x
	Heat Capacity (Cp)	x	205	x
	Nuclear Repulsion Energy		205
	HOMO-LUMO Energies		197
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	179
	Internal Coordinates	x	179	x
	Products of moments of inertia	x	187	x
	Rotational Constants	x	191	x
	Point Group		192
Vibrations	Vibrational Frequencies	x	189	x
	Vibrational Intensities		181
	Zero-point energies	x	189	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		156
	Dipole	x	149	x
	Quadrupole		144
	Polarizability		132
Other results	Spin		0
	Number of basis functions		27
	Diagnostics		5
	Conformations		1