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

All data (experiment and calculated) in the CCCBDB for HOBr (Hypobromous acid)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K	x
	Energy 0K		211
	Energy 298.15K		197
	Atomization Enthalpy 298.15K		191
	Atomization Enthalpy 0K	x	191	x
	Entropy (298.15K)		177
	Entropy at any temperature		177
	Integrated Heat Capacity		177
	Heat Capacity (Cp)		177
	Nuclear Repulsion Energy		189
	HOMO-LUMO Energies		186
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	189
	Internal Coordinates	x	189	x
	Products of moments of inertia	x	185	x
	Rotational Constants	x	189	x
	Point Group		190
Vibrations	Vibrational Frequencies	x	189	x
	Vibrational Intensities		179
	Zero-point energies	x	189	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		182
	Dipole	x	115	x
	Quadrupole		113
	Polarizability		116
Other results	Spin		0
	Number of basis functions		10
	Diagnostics		6
	Conformations		1