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	hartrees
Energy at 0K	-748.264817
Energy at 298.15K	-748.267529
HF Energy	-748.264817
Nuclear repulsion energy	283.351342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1207	1156	157.17
2	A₁	813	779	117.33
3	A₁	495	474	24.46
4	A₁	336	322	0.01
5	A₂	331	317	0.00
6	B₁	845	810	229.56
7	B₁	487	466	21.04
8	B₂	1430	1370	242.87
9	B₂	482	462	29.88

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.182
O2	0.000	1.283	0.835
O3	0.000	-1.283	0.835
F4	1.167	0.000	-0.903
F5	-1.167	0.000	-0.903

	S1	O2	O3	F4	F5
S1		1.4400	1.4400	1.5934	1.5934
O2	1.4400		2.5670	2.4554	2.4554
O3	1.4400	2.5670		2.4554	2.4554
F4	1.5934	2.4554	2.4554		2.3338
F5	1.5934	2.4554	2.4554	2.3338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	126.077	O2	S1	F4	107.983
O2	S1	F5	107.983	O3	S1	F4	107.983
O3	S1	F5	107.983	F4	S1	F5	94.167

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

using model chemistry: B1B95/aug-cc-pVDZ

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	2.047
2	O	-0.583
3	O	-0.583
4	F	-0.440
5	F	-0.440

	x	y	z	Total
	0.000	0.000	-0.691	0.691
CHELPG
AIM
ESP

<r²>	98.432
(<r²>)^1/2	9.921

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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