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 (1,4-difluorobenzene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		444
	Energy 298.15K		74
	Atomization Enthalpy 298.15K	x	0	x
	Atomization Enthalpy 0K		0
	Entropy (298.15K)		0
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)		0
	Nuclear Repulsion Energy		442
	HOMO-LUMO Energies		432
	Barriers to Internal Rotation		0
Geometries	Cartesians		442
	Internal Coordinates		0
	Products of moments of inertia		432
	Rotational Constants		441
	Point Group		443
Vibrations	Vibrational Frequencies	fun.	444	x
	Vibrational Intensities		599
	Zero-point energies	x	444	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		343
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		320
	Dipole		383
	Quadrupole		337
	Polarizability		377
Other results	Spin		0
	Number of basis functions		28
	Conformations		1