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

All data (experiment and calculated) in the CCCBDB for NF (nitrogen fluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		560
	Energy 298.15K		304
	Atomization Enthalpy 298.15K	x	295	x
	Atomization Enthalpy 0K	x	495	x
	Entropy (298.15K)	x	255	x
	Entropy at any temperature		255
	Integrated Heat Capacity	x	255	x
	Heat Capacity (Cp)	x	255	x
	Nuclear Repulsion Energy		510
	HOMO-LUMO Energies		495
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	450
	Internal Coordinates	x	450	x
	Products of moments of inertia	x	480	x
	Rotational Constants	x	491	x
	Point Group		493
Vibrations	Vibrational Frequencies	x	488	x
	Vibrational Intensities		438
	Zero-point energies	x	488	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
Electronic States	Electronic states	x	249
Electrostatics	Atom charges		325
	Dipole		306
	Quadrupole		305
	Polarizability		286
Other results	Spin		199
	Number of basis functions		35
	Diagnostics		6
	Conformations		1