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

All data (experiment and calculated) in the CCCBDB for SeO₂ (Selenium dioxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		199
	Energy 298.15K		183
	Atomization Enthalpy 298.15K	x	181	x
	Atomization Enthalpy 0K		183
	Entropy (298.15K)	x	161	x
	Entropy at any temperature		161
	Integrated Heat Capacity		161
	Heat Capacity (Cp)	x	161	x
	Nuclear Repulsion Energy		175
	HOMO-LUMO Energies		174
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	176
	Internal Coordinates	x	176	x
	Products of moments of inertia	x	173	x
	Rotational Constants	x	176	x
	Point Group		177
Vibrations	Vibrational Frequencies	x	177	x
	Vibrational Intensities		170
	Zero-point energies	x	177	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		113
	Dipole	x	112	x
	Quadrupole		111
	Polarizability		113
Other results	Spin		0
	Number of basis functions		22
	Diagnostics		5
	Conformations		1