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	hartrees
Energy at 0K	-748.280805
Energy at 298.15K	-748.283662
HF Energy	-748.280805
Nuclear repulsion energy	288.250570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1252	1208	157.39
2	A₁	820	791	122.97
3	A₁	526	508	23.33
4	A₁	364	351	0.02
5	A₂	362	350	0.00
6	B₁	854	824	234.70
7	B₁	513	495	18.21
8	B₂	1484	1432	263.25
9	B₂	518	500	29.44

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.164
O2	0.000	1.252	0.819
O3	0.000	-1.252	0.819
F4	1.148	0.000	-0.874
F5	-1.148	0.000	-0.874

	S1	O2	O3	F4	F5
S1		1.4127	1.4127	1.5480	1.5480
O2	1.4127		2.5030	2.3986	2.3986
O3	1.4127	2.5030		2.3986	2.3986
F4	1.5480	2.3986	2.3986		2.2956
F5	1.5480	2.3986	2.3986	2.2956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	124.731	O2	S1	F4	108.133
O2	S1	F5	108.133	O3	S1	F4	108.133
O3	S1	F5	108.133	F4	S1	F5	95.714

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

using model chemistry: B3PW91/aug-cc-pVTZ

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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Number	Element	Mulliken
1	S	2.075
2	O	-0.646
3	O	-0.646
4	F	-0.391
5	F	-0.391

	x	y	z	Total
	0.000	0.000	-0.994	0.994
CHELPG
AIM
ESP

<r²>	95.665
(<r²>)^1/2	9.781

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

using model chemistry: B3PW91/aug-cc-pVTZ

States and conformations

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