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

All data (experiment and calculated) in the CCCBDB for CH₂ (Methylene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		598
	Energy 298.15K		301
	Atomization Enthalpy 298.15K	x	296	x
	Atomization Enthalpy 0K	x	499	x
	Entropy (298.15K)	x	246	x
	Entropy at any temperature		246
	Integrated Heat Capacity	x	246	x
	Heat Capacity (Cp)	x	246	x
	Nuclear Repulsion Energy		560
	HOMO-LUMO Energies		369
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	493
	Internal Coordinates	x	493	x
	Products of moments of inertia	x	518	x
	Rotational Constants	x	531	x
	Point Group		543
Vibrations	Vibrational Frequencies	x	533	x
	Vibrational Intensities		467
	Zero-point energies		533
	Vibrational scaling factors
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	267
Electrostatics	Atom charges		330
	Dipole		311
	Quadrupole		317
	Polarizability		309
Other results	Spin		180
	Number of basis functions		35
	Diagnostics		7
	Conformations		1