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 FCO (Carbonyl fluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		476
	Energy 298.15K		467
	Atomization Enthalpy 298.15K		0
	Atomization Enthalpy 0K		0
	Entropy (298.15K)	x	0	x
	Entropy at any temperature		0
	Integrated Heat Capacity		0
	Heat Capacity (Cp)	x	0	x
	Nuclear Repulsion Energy		475
	HOMO-LUMO Energies		406
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	477
	Internal Coordinates	x	476	x
	Products of moments of inertia	x	468	x
	Rotational Constants	x	477	x
	Point Group		479
Vibrations	Vibrational Frequencies	fun.	473	x
	Vibrational Intensities		422
	Zero-point energies	x	473	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		261
	Dipole		360
	Quadrupole		303
	Polarizability		317
Other results	Spin		478
	Number of basis functions		62
	Conformations		1