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	hartrees
Energy at 0K	-748.292992
Energy at 298.15K	-748.295687
HF Energy	-748.292992
Nuclear repulsion energy	284.407823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1189	1171	141.44
2	A₁	750	738	124.95
3	A₁	496	489	14.80
4	A₁	343	337	0.01
5	A₂	345	339	0.00
6	B₁	784	772	226.78
7	B₁	483	475	10.84
8	B₂	1417	1396	231.26
9	B₂	491	483	25.07

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.176
O2	0.000	1.272	0.832
O3	0.000	-1.272	0.832
F4	1.173	0.000	-0.896
F5	-1.173	0.000	-0.896

	S1	O2	O3	F4	F5
S1		1.4318	1.4318	1.5890	1.5890
O2	1.4318		2.5445	2.4459	2.4459
O3	1.4318	2.5445		2.4459	2.4459
F4	1.5890	2.4459	2.4459		2.3468
F5	1.5890	2.4459	2.4459	2.3468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.389	O2	S1	F4	108.019
O2	S1	F5	108.019	O3	S1	F4	108.019
O3	S1	F5	108.019	F4	S1	F5	95.196

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

using model chemistry: B97D3/aug-cc-pVTZ

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	2.074
2	O	-0.637
3	O	-0.637
4	F	-0.400
5	F	-0.400

	x	y	z	Total
	0.000	0.000	-0.788	0.788
CHELPG
AIM
ESP

<r²>	97.717
(<r²>)^1/2	9.885

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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