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

All data (experiment and calculated) in the CCCBDB for CH₂Br₂ (dibromomethane)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		215
	Energy 298.15K		202
	Atomization Enthalpy 298.15K	x	192	x
	Atomization Enthalpy 0K	x	192	x
	Entropy (298.15K)	x	186	x
	Entropy at any temperature		186
	Integrated Heat Capacity	x	186	x
	Heat Capacity (Cp)	x	186	x
	Nuclear Repulsion Energy		191
	HOMO-LUMO Energies		189
	Barriers to Internal Rotation		0
Geometries	Cartesians		191
	Internal Coordinates	x	191	x
	Products of moments of inertia	x	190	x
	Rotational Constants	x	194	x
	Point Group		193
Vibrations	Vibrational Frequencies	x	193	x
	Vibrational Intensities		189
	Zero-point energies	x	193	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		125
	Dipole		125
	Quadrupole		122
	Polarizability		126
Other results	Spin		0
	Number of basis functions		24
	Diagnostics		4
	Conformations		1