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

All data (experiment and calculated) in the CCCBDB for N₂H₂ (trans-diazine)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K	x
	Energy 0K		302
	Energy 298.15K		288
	Atomization Enthalpy 298.15K	x	253	x
	Atomization Enthalpy 0K	x	253	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		272
	HOMO-LUMO Energies		267
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	260
	Internal Coordinates	x	260	x
	Products of moments of inertia	x	267	x
	Rotational Constants	x	272	x
	Point Group		273
Vibrations	Vibrational Frequencies	x	271	x
	Vibrational Intensities		229
	Zero-point energies	x	271	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants		4
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		144
	Dipole	x	143	x
	Quadrupole		130
	Polarizability		144
Other results	Spin		0
	Number of basis functions		32
	Diagnostics		6
	Conformations		1