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

All data (experiment and calculated) in the CCCBDB for ClFO₃ (Perchloryl fluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		192
	Energy 298.15K		175
	Atomization Enthalpy 298.15K	x	171	x
	Atomization Enthalpy 0K	x	179	x
	Entropy (298.15K)	x	173	x
	Entropy at any temperature		173
	Integrated Heat Capacity	x	173	x
	Heat Capacity (Cp)	x	173	x
	Nuclear Repulsion Energy		173
	HOMO-LUMO Energies		164
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	157
	Internal Coordinates	x	157	x
	Products of moments of inertia	x	166	x
	Rotational Constants	x	169	x
	Point Group		170
Vibrations	Vibrational Frequencies	x	169	x
	Vibrational Intensities		168
	Zero-point energies	x	169	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		143
	Dipole	x	143	x
	Quadrupole		139
	Polarizability		122
Other results	Spin		0
	Number of basis functions		25
	Diagnostics		5
	Conformations		1