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

All data (experiment and calculated) in the CCCBDB for NF₂ (Difluoroamino radical)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		273
	Energy 298.15K		256
	Atomization Enthalpy 298.15K	x	251	x
	Atomization Enthalpy 0K	x	254	x
	Entropy (298.15K)	x	216	x
	Entropy at any temperature		216
	Integrated Heat Capacity	x	216	x
	Heat Capacity (Cp)	x	216	x
	Nuclear Repulsion Energy		226
	HOMO-LUMO Energies		210
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	185
	Internal Coordinates	x	185	x
	Products of moments of inertia	x	201	x
	Rotational Constants	x	205	x
	Point Group		206
Vibrations	Vibrational Frequencies	x	206	x
	Vibrational Intensities		198
	Zero-point energies	x	206	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		178
	Dipole		157
	Quadrupole		161
	Polarizability		137
Other results	Spin		154
	Number of basis functions		32
	Diagnostics		5
	Conformations		1