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 FSN (Thiazyl fluoride)

Property		Experiment	Calculated	Comparison
Energies Entropies	Enthalpy 298.15K
	Enthalpy 0K
	Energy 0K		718
	Energy 298.15K		659
	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		690
	HOMO-LUMO Energies		621
	Barriers to Internal Rotation		0
Geometries	Cartesians	x	719
	Internal Coordinates	x	719	x
	Products of moments of inertia	x	711	x
	Rotational Constants	x	719	x
	Point Group		720
Vibrations	Vibrational Frequencies	fun.	717	x
	Vibrational Intensities		625
	Zero-point energies	x	717	x
	Vibrational scaling factors	x
	Anharmonic frequencies and constants
	Raman frequencies and intensities		5
Electronic States	Electronic states	x	0
Electrostatics	Atom charges		396
	Dipole	x	552	x
	Quadrupole		454
	Polarizability		469
Other results	Spin		0
	Number of basis functions		37
	Conformations		1