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	hartrees
Energy at 0K	-747.764467
Energy at 298.15K	-747.766545
HF Energy	-747.764467
Nuclear repulsion energy	262.243145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	968	968	121.81
2	A₁	742	742	43.83
3	A₁	380	380	34.23
4	A₁	259	259	0.00
5	A₂	253	253	0.00
6	B₁	803	803	139.86
7	B₁	351	351	32.42
8	B₂	1089	1089	93.47
9	B₂	379	379	34.31

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.193
O2	0.000	1.401	0.912
O3	0.000	-1.401	0.912
F4	1.233	0.000	-0.982
F5	-1.233	0.000	-0.982

	S1	O2	O3	F4	F5
S1		1.5752	1.5752	1.7033	1.7033
O2	1.5752		2.8028	2.6593	2.6593
O3	1.5752	2.8028		2.6593	2.6593
F4	1.7033	2.6593	2.6593		2.4670
F5	1.7033	2.6593	2.6593	2.4670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.665	O2	S1	F4	108.353
O2	S1	F5	108.353	O3	S1	F4	108.353
O3	S1	F5	108.353	F4	S1	F5	92.801

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

using model chemistry: M06-2X/6-31G

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	1.602
2	O	-0.482
3	O	-0.482
4	F	-0.319
5	F	-0.319

	x	y	z	Total
	0.000	0.000	-0.199	0.199
CHELPG
AIM
ESP

<r²>	112.822
(<r²>)^1/2	10.622

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

using model chemistry: M06-2X/6-31G

States and conformations

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