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	hartrees
Energy at 0K	-88.961173
Energy at 298.15K	-88.964267
HF Energy	-88.961173
Nuclear repulsion energy	112.363228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1341	1204	231.60
2	A₁	934	839	147.03
3	A₁	587	527	53.32
4	A₁	409	367	0.12
5	A₂	399	359	0.00
6	B₁	964	866	311.49
7	B₁	577	518	45.39
8	B₂	1559	1400	401.35
9	B₂	574	516	52.16

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.165
O2	0.000	1.247	0.816
O3	0.000	-1.247	0.816
F4	1.134	0.000	-0.871
F5	-1.134	0.000	-0.871

	S1	O2	O3	F4	F5
S1		1.4069	1.4069	1.5361	1.5361
O2	1.4069		2.4947	2.3849	2.3849
O3	1.4069	2.4947		2.3849	2.3849
F4	1.5361	2.3849	2.3849		2.2683
F5	1.5361	2.3849	2.3849	2.2683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	124.892	O2	S1	F4	108.179
O2	S1	F5	108.179	O3	S1	F4	108.179
O3	S1	F5	108.179	F4	S1	F5	95.176

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

using model chemistry: HF/CEP-31G*

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	1.127
2	O	-0.364
3	O	-0.364
4	F	-0.199
5	F	-0.199

	x	y	z	Total
	0.000	0.000	-1.324	1.324
CHELPG
AIM
ESP

<r²>	76.505
(<r²>)^1/2	8.747

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

using model chemistry: HF/CEP-31G*

States and conformations

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