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

All data (experiment and calculated) in the CCCBDB for SiHCl₃ (Trichlorosilane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		219
	Energy 298.15K		206
	Atomization Enthalpy 298.15K	x	200	x
	Atomization Enthalpy 0K	x	203	x
	Entropy (298.15K)	x	192	x
	Entropy at any temperature		192
	Integrated Heat Capacity	x	192	x
	Heat Capacity (Cp)	x	192	x
	Nuclear Repulsion Energy		187
	HOMO-LUMO Energies		178
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	169
	Internal Coordinates	x	169	x
	Products of moments of inertia	x	176	x
	Rotational Constants	x	180	x
	Point Group		180
Vibrations	Vibrational Frequencies	x	179	x
	Vibrational Intensities		175
	Zero-point energies	x	179	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		1
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		146
	Dipole	x	147	x
	Quadrupole		141
	Polarizability		126
Other results	Spin		0
	Number of basis functions		27
	Diagnostics		5
	Conformations		1