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

All data (experiment and calculated) in the CCCBDB for NH₂CONH₂ (Urea)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		233
	Energy 298.15K		227
	Atomization Enthalpy 298.15K	x	221	x
	Atomization Enthalpy 0K	x	222	x
	Entropy (298.15K)	x	190	x
	Entropy at any temperature		190
	Integrated Heat Capacity	x	190	x
	Heat Capacity (Cp)	x	190	x
	Nuclear Repulsion Energy		188
	HOMO-LUMO Energies		181
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	161
	Internal Coordinates	x	161	x
	Products of moments of inertia	x	176	x
	Rotational Constants	x	180	x
	Point Group		180
Vibrations	Vibrational Frequencies	x	179	x
	Vibrational Intensities		176
	Zero-point energies	x	179	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		3
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		148
	Dipole	x	147	x
	Quadrupole		142
	Polarizability		126
Other results	Spin		4
	Number of basis functions		29
	Diagnostics		4
	Conformations		1