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

All data (experiment and calculated) in the CCCBDB for Si₂H₆ (disilane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		252
	Energy 298.15K		237
	Atomization Enthalpy 298.15K	x	232	x
	Atomization Enthalpy 0K		236
	Entropy (298.15K)	x	223	x
	Entropy at any temperature		223
	Integrated Heat Capacity	x	223	x
	Heat Capacity (Cp)		223
	Nuclear Repulsion Energy		217
	HOMO-LUMO Energies		205
	Barriers to Internal Rotation		15
Geometries	Cartesians	x	189
	Internal Coordinates	x	189	x
	Products of moments of inertia	x	196	x
	Rotational Constants	x	200	x
	Point Group		201
Vibrations	Vibrational Frequencies	x	198	x
	Vibrational Intensities		187
	Zero-point energies	x	198	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		160
	Dipole		153
	Quadrupole		147
	Polarizability		138
Other results	Spin		0
	Number of basis functions		30
	Diagnostics		6
	Conformations		1