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

All data (experiment and calculated) in the CCCBDB for BH₃ (boron trihydride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		319
	Energy 298.15K		305
	Atomization Enthalpy 298.15K	x	298	x
	Atomization Enthalpy 0K	x	302	x
	Entropy (298.15K)	x	257	x
	Entropy at any temperature		257
	Integrated Heat Capacity	x	257	x
	Heat Capacity (Cp)	x	257	x
	Nuclear Repulsion Energy		271
	HOMO-LUMO Energies		260
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	225
	Internal Coordinates	x	225	x
	Products of moments of inertia	x	247	x
	Rotational Constants	x	250	x
	Point Group		252
Vibrations	Vibrational Frequencies		250
	Vibrational Intensities		214
	Zero-point energies		250
	Vibrational scaling factors
	Anharmonic frequencies and constants		1
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		173
	Dipole	x	162	x
	Quadrupole		159
	Polarizability		148
Other results	Spin		5
	Number of basis functions		35
	Diagnostics		6
	Conformations		1