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	hartrees
Energy at 0K	-743.731400
Energy at 298.15K	-743.733435
HF Energy	-743.731400
Nuclear repulsion energy	262.532988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1020	1011	79.11
2	A₁	677	671	52.93
3	A₁	383	379	15.88
4	A₁	240	238	0.45
5	A₂	259	257	0.00
6	B₁	752	745	116.64
7	B₁	350	347	18.34
8	B₂	1188	1177	72.22
9	B₂	370	367	21.81

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.189
O2	0.000	1.386	0.912
O3	0.000	-1.386	0.912
F4	1.250	0.000	-0.978
F5	-1.250	0.000	-0.978

	S1	O2	O3	F4	F5
S1		1.5633	1.5633	1.7098	1.7098
O2	1.5633		2.7715	2.6564	2.6564
O3	1.5633	2.7715		2.6564	2.6564
F4	1.7098	2.6564	2.6564		2.4993
F5	1.7098	2.6564	2.6564	2.4993

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	124.849	O2	S1	F4	108.418
O2	S1	F5	108.418	O3	S1	F4	108.418
O3	S1	F5	108.418	F4	S1	F5	93.923

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

using model chemistry: PBEPBE/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	1.418
2	O	-0.459
3	O	-0.459
4	F	-0.250
5	F	-0.250

	x	y	z	Total
	0.000	0.000	-0.353	0.353
CHELPG
AIM
ESP

<r²>	111.417
(<r²>)^1/2	10.555

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

using model chemistry: PBEPBE/3-21G

States and conformations

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