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	hartrees
Energy at 0K	-743.781633
Energy at 298.15K	-743.783897
HF Energy	-743.781633
Nuclear repulsion energy	267.936319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1073	1034	102.02
2	A₁	753	726	52.96
3	A₁	413	397	27.89
4	A₁	271	261	0.44
5	A₂	279	269	0.00
6	B₁	837	806	134.10
7	B₁	375	362	29.99
8	B₂	1237	1192	85.53
9	B₂	401	386	31.61

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.183
O2	0.000	1.367	0.897
O3	0.000	-1.367	0.897
F4	1.212	0.000	-0.960
F5	-1.212	0.000	-0.960

	S1	O2	O3	F4	F5
S1		1.5418	1.5418	1.6660	1.6660
O2	1.5418		2.7338	2.6046	2.6046
O3	1.5418	2.7338		2.6046	2.6046
F4	1.6660	2.6046	2.6046		2.4231
F5	1.6660	2.6046	2.6046	2.4231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	124.890	O2	S1	F4	108.513
O2	S1	F5	108.513	O3	S1	F4	108.513
O3	S1	F5	108.513	F4	S1	F5	93.310

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

using model chemistry: HSEh1PBE/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	1.631
2	O	-0.521
3	O	-0.521
4	F	-0.295
5	F	-0.295

	x	y	z	Total
	0.000	0.000	-0.516	0.516
CHELPG
AIM
ESP

<r²>	108.060
(<r²>)^1/2	10.395

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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