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

All data (experiment and calculated) in the CCCBDB for CN (Cyano radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		311
	Energy 298.15K		297
	Atomization Enthalpy 298.15K	x	287	x
	Atomization Enthalpy 0K	x	292	x
	Entropy (298.15K)	x	257	x
	Entropy at any temperature		257
	Integrated Heat Capacity	x	257	x
	Heat Capacity (Cp)	x	257	x
	Nuclear Repulsion Energy		265
	HOMO-LUMO Energies		230
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	219
	Internal Coordinates	x	219	x
	Products of moments of inertia	x	240	x
	Rotational Constants	x	244	x
	Point Group		245
Vibrations	Vibrational Frequencies	x	243	x
	Vibrational Intensities		214
	Zero-point energies	x	243	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		178
	Dipole	x	165	x
	Quadrupole		161
	Polarizability		139
Other results	Spin		177
	Number of basis functions		32
	Diagnostics		6
	Conformations		1