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

All data (experiment and calculated) in the CCCBDB for H₂Se (Hydrogen selenide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		221
	Energy 298.15K		203
	Atomization Enthalpy 298.15K	x	200	x
	Atomization Enthalpy 0K		204
	Entropy (298.15K)	x	181	x
	Entropy at any temperature		181
	Integrated Heat Capacity		181
	Heat Capacity (Cp)	x	181	x
	Nuclear Repulsion Energy		196
	HOMO-LUMO Energies		194
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	196
	Internal Coordinates	x	196	x
	Products of moments of inertia	x	194	x
	Rotational Constants	x	197	x
	Point Group		198
Vibrations	Vibrational Frequencies	x	197	x
	Vibrational Intensities		183
	Zero-point energies	x	197	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		154
	Dipole	x	153	x
	Quadrupole		152
	Polarizability		153
Other results	Spin		11
	Number of basis functions		27
	Diagnostics		5
	Conformations		1