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 HCCF (Fluoroacetylene)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K	x
	Enthalpy 0K
	Energy 0K		750
	Energy 298.15K		61
	Atomization Enthalpy 298.15K	x	44	x
	Atomization Enthalpy 0K		44
	Entropy (298.15K)	x	16	x
	Entropy at any temperature		16
	Integrated Heat Capacity		16
	Heat Capacity (Cp)		16
	Nuclear Repulsion Energy		733
	HOMO-LUMO Energies		651
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	712
	Internal Coordinates	x	712	x
	Products of moments of inertia	x	716	x
	Rotational Constants	x	725	x
	Point Group		734
Vibrations	Vibrational Frequencies	fun.	723	x
	Vibrational Intensities		926
	Zero-point energies	x	723	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		341
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		419
	Dipole	x	587	x
	Quadrupole	x	483	x
	Polarizability		495
Other results	Spin		1
	Number of basis functions		69
	Conformations		1