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	hartrees
Energy at 0K	-746.124165
Energy at 298.15K	-746.127352
HF Energy	-746.124165
Nuclear repulsion energy	295.201862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1375	1250	232.75
2	A₁	946	860	156.52
3	A₁	601	546	59.13
4	A₁	416	378	0.01
5	A₂	417	379	0.00
6	B₁	980	890	323.23
7	B₁	596	541	48.34
8	B₂	1628	1479	440.45
9	B₂	594	540	58.33

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.164
O2	0.000	1.229	0.804
O3	0.000	-1.229	0.804
F4	1.128	0.000	-0.860
F5	-1.128	0.000	-0.860

	S1	O2	O3	F4	F5
S1		1.3858	1.3858	1.5239	1.5239
O2	1.3858		2.4582	2.3567	2.3567
O3	1.3858	2.4582		2.3567	2.3567
F4	1.5239	2.3567	2.3567		2.2569
F5	1.5239	2.3567	2.3567	2.2569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	124.983	O2	S1	F4	108.084
O2	S1	F5	108.084	O3	S1	F4	108.084
O3	S1	F5	108.084	F4	S1	F5	95.546

All results from a given calculation for SO₂F₂ (Sulfuryl fluoride)

using model chemistry: HF/6-311G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	S	1.704
2	O	-0.528
3	O	-0.528
4	F	-0.324
5	F	-0.324

	x	y	z	Total
	0.000	0.000	-1.090	1.090
CHELPG
AIM
ESP

<r²>	92.804
(<r²>)^1/2	9.633

All results from a given calculation for SO2F2 (Sulfuryl fluoride)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for SO₂F₂ (Sulfuryl fluoride)