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	hartrees
Energy at 0K	-741.894852
Energy at 298.15K	-741.897631
HF Energy	-741.894852
Nuclear repulsion energy	286.364667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1272	1249	148.40
2	A₁	855	839	70.44
3	A₁	496	487	26.30
4	A₁	346	339	0.02
5	A₂	353	347	0.00
6	B₁	950	933	181.55
7	B₁	482	473	23.40
8	B₂	1505	1478	193.60
9	B₂	496	487	28.29

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.171
O2	0.000	1.273	0.831
O3	0.000	-1.273	0.831
F4	1.152	0.000	-0.890
F5	-1.152	0.000	-0.890

	S1	O2	O3	F4	F5
S1		1.4342	1.4342	1.5661	1.5661
O2	1.4342		2.5461	2.4312	2.4312
O3	1.4342	2.5461		2.4312	2.4312
F4	1.5661	2.4312	2.4312		2.3043
F5	1.5661	2.4312	2.4312	2.3043

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.157	O2	S1	F4	108.175
O2	S1	F5	108.175	O3	S1	F4	108.175
O3	S1	F5	108.175	F4	S1	F5	94.730

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

using model chemistry: LSDA/3-21G*

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	1.076
2	O	-0.340
3	O	-0.340
4	F	-0.198
5	F	-0.198

	x	y	z	Total
	0.000	0.000	-0.984	0.984
CHELPG
AIM
ESP

<r²>	96.158
(<r²>)^1/2	9.806

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

using model chemistry: LSDA/3-21G*

States and conformations

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