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	hartrees
Energy at 0K	-748.199136
Energy at 298.15K	-748.201758
HF Energy	-748.199136
Nuclear repulsion energy	282.156482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1178	1161	146.11
2	A₁	728	717	132.47
3	A₁	482	475	17.03
4	A₁	329	324	0.03
5	A₂	337	332	0.00
6	B₁	772	761	239.19
7	B₁	470	463	12.51
8	B₂	1419	1398	244.52
9	B₂	481	474	31.24

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.182
O2	0.000	1.278	0.836
O3	0.000	-1.278	0.836
F4	1.188	0.000	-0.905
F5	-1.188	0.000	-0.905

	S1	O2	O3	F4	F5
S1		1.4355	1.4355	1.6101	1.6101
O2	1.4355		2.5562	2.4646	2.4646
O3	1.4355	2.5562		2.4646	2.4646
F4	1.6101	2.4646	2.4646		2.3751
F5	1.6101	2.4646	2.4646	2.3751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.832	O2	S1	F4	107.905
O2	S1	F5	107.905	O3	S1	F4	107.905
O3	S1	F5	107.905	F4	S1	F5	95.050

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

using model chemistry: B97D3/6-311G**

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	1.248
2	O	-0.369
3	O	-0.369
4	F	-0.255
5	F	-0.255

	x	y	z	Total
	0.000	0.000	-0.466	0.466
CHELPG
AIM
ESP

<r²>	99.239
(<r²>)^1/2	9.962

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

using model chemistry: B97D3/6-311G**

States and conformations

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