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	hartrees
Energy at 0K	-745.724941
Energy at 298.15K	-745.727658
HF Energy	-745.724941
Nuclear repulsion energy	285.740846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1230	1215	154.65
2	A₁	784	774	126.83
3	A₁	495	489	24.20
4	A₁	338	334	0.01
5	A₂	343	339	0.00
6	B₁	831	821	239.79
7	B₁	484	478	18.74
8	B₂	1480	1462	251.62
9	B₂	491	485	32.85

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.179
O2	0.000	1.270	0.825
O3	0.000	-1.270	0.825
F4	1.165	0.000	-0.892
F5	-1.165	0.000	-0.892

	S1	O2	O3	F4	F5
S1		1.4250	1.4250	1.5825	1.5825
O2	1.4250		2.5394	2.4331	2.4331
O3	1.4250	2.5394		2.4331	2.4331
F4	1.5825	2.4331	2.4331		2.3303
F5	1.5825	2.4331	2.4331	2.3303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	126.011	O2	S1	F4	107.888
O2	S1	F5	107.888	O3	S1	F4	107.888
O3	S1	F5	107.888	F4	S1	F5	94.828

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

using model chemistry: LSDA/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	1.167
2	O	-0.352
3	O	-0.352
4	F	-0.231
5	F	-0.231

	x	y	z	Total
	0.000	0.000	-0.622	0.622
CHELPG
AIM
ESP

<r²>	97.357
(<r²>)^1/2	9.867

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

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

States and conformations

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