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

All data (experiment and calculated) in the CCCBDB for CH₂CF₂ (Ethene, 1,1-difluoro-)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		240
	Energy 298.15K		224
	Atomization Enthalpy 298.15K	x	218	x
	Atomization Enthalpy 0K	x	218	x
	Entropy (298.15K)	x	190	x
	Entropy at any temperature		190
	Integrated Heat Capacity	x	189	x
	Heat Capacity (Cp)	x	189	x
	Nuclear Repulsion Energy		201
	HOMO-LUMO Energies		195
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	171
	Internal Coordinates	x	171	x
	Products of moments of inertia	x	188	x
	Rotational Constants	x	192	x
	Point Group		192
Vibrations	Vibrational Frequencies	x	192	x
	Vibrational Intensities	x	188	x
	Zero-point energies	x	192	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		156
	Dipole	x	154	x
	Quadrupole	x	149	x
	Polarizability		134
Other results	Spin		0
	Number of basis functions		27
	Diagnostics		5
	Conformations		1