Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All data (experiment and calculated) in the CCCBDB for C₆H₄F₂ (orthodifluorobenzene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		235
	Energy 298.15K		229
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		229
	HOMO-LUMO Energies		232
	Barriers to Internal Rotation		0
Geometries	Cartesians		232
	Internal Coordinates		231
	Products of moments of inertia		224
	Rotational Constants		232
	Point Group		233
Vibrations	Vibrational Frequencies		240
	Vibrational Intensities		243
	Zero-point energies		240
	Vibrational scaling factors
	Anharmonic frequencies and constants
	Raman frequencies and intensities		0
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		158
	Dipole		161
	Quadrupole		158
	Polarizability		162
Other results	Spin		0
	Number of basis functions		1
	Conformations		1