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 FOOF (Perfluoroperoxide)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		329
	Energy 298.15K		316
	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		324
	HOMO-LUMO Energies		325
	Barriers to Internal Rotation		600
Geometries	Cartesians		325
	Internal Coordinates		324
	Products of moments of inertia		316
	Rotational Constants		322
	Point Group		329
Vibrations	Vibrational Frequencies	fun.	319	x
	Vibrational Intensities		318
	Zero-point energies	x	319	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		207
	Dipole	x	228	x
	Quadrupole		214
	Polarizability		244
Other results	Spin		0
	Number of basis functions		27
	Conformations		1