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	hartrees
Energy at 0K	-748.241817
Energy at 298.15K	-748.244679
HF Energy	-748.241817
Nuclear repulsion energy	287.685721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1271	1216	173.88
2	A₁	819	783	144.28
3	A₁	527	504	32.06
4	A₁	360	345	0.01
5	A₂	366	350	0.00
6	B₁	858	821	269.25
7	B₁	518	495	23.87
8	B₂	1522	1456	311.82
9	B₂	522	499	40.19

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.167
O2	0.000	1.251	0.817
O3	0.000	-1.251	0.817
F4	1.153	0.000	-0.875
F5	-1.153	0.000	-0.875

	S1	O2	O3	F4	F5
S1		1.4098	1.4098	1.5543	1.5543
O2	1.4098		2.5024	2.3997	2.3997
O3	1.4098	2.5024		2.3997	2.3997
F4	1.5543	2.3997	2.3997		2.3051
F5	1.5543	2.3997	2.3997	2.3051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.113	O2	S1	F4	108.012
O2	S1	F5	108.012	O3	S1	F4	108.012
O3	S1	F5	108.012	F4	S1	F5	95.724

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

using model chemistry: wB97X-D/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	1.350
2	O	-0.410
3	O	-0.410
4	F	-0.265
5	F	-0.265

	x	y	z	Total
	0.000	0.000	-0.716	0.716
CHELPG
AIM
ESP

<r²>	96.346
(<r²>)^1/2	9.816

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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