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	hartrees
Energy at 0K	-747.919769
Energy at 298.15K	-747.922604
HF Energy	-747.919769
Nuclear repulsion energy	287.150232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1259	1209	170.00
2	A₁	810	778	137.86
3	A₁	521	500	29.62
4	A₁	357	343	0.01
5	A₂	361	347	0.00
6	B₁	851	818	259.87
7	B₁	510	490	22.38
8	B₂	1510	1450	297.03
9	B₂	517	496	38.52

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.176
O2	0.000	1.261	0.823
O3	0.000	-1.261	0.823
F4	1.161	0.000	-0.888
F5	-1.161	0.000	-0.888

	S1	O2	O3	F4	F5
S1		1.4172	1.4172	1.5751	1.5751
O2	1.4172		2.5218	2.4221	2.4221
O3	1.4172	2.5218		2.4221	2.4221
F4	1.5751	2.4221	2.4221		2.3228
F5	1.5751	2.4221	2.4221	2.3228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.667	O2	S1	F4	107.965
O2	S1	F5	107.965	O3	S1	F4	107.965
O3	S1	F5	107.965	F4	S1	F5	95.009

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

using model chemistry: HSEh1PBE/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	1.319
2	O	-0.399
3	O	-0.399
4	F	-0.260
5	F	-0.260

	x	y	z	Total
	0.000	0.000	-0.694	0.694
CHELPG
AIM
ESP

<r²>	96.617
(<r²>)^1/2	9.829

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

using model chemistry: HSEh1PBE/6-311G**

States and conformations

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