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

All data (experiment and calculated) in the CCCBDB for HNC (hydrogen isocyanide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		245
	Energy 298.15K		228
	Atomization Enthalpy 298.15K	x	218	x
	Atomization Enthalpy 0K	x	221	x
	Entropy (298.15K)	x	192	x
	Entropy at any temperature		192
	Integrated Heat Capacity	x	192	x
	Heat Capacity (Cp)	x	192	x
	Nuclear Repulsion Energy		205
	HOMO-LUMO Energies		194
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	185
	Internal Coordinates	x	185	x
	Products of moments of inertia	x	204	x
	Rotational Constants	x	205	x
	Point Group		206
Vibrations	Vibrational Frequencies	x	206	x
	Vibrational Intensities		200
	Zero-point energies	x	206	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		164
	Dipole	x	187	x
	Quadrupole		163
	Polarizability		79
Other results	Spin		0
	Number of basis functions		27
	Diagnostics		6
	Conformations		1