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	hartrees
Energy at 0K	-748.422486
Energy at 298.15K	-748.425107
HF Energy	-748.422486
Nuclear repulsion energy	281.815950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1161	1158	136.68
2	A₁	731	729	121.28
3	A₁	482	480	14.24
4	A₁	333	332	0.00
5	A₂	335	334	0.00
6	B₁	769	767	222.86
7	B₁	467	466	10.72
8	B₂	1386	1382	212.84
9	B₂	478	477	25.47

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.180
O2	0.000	1.282	0.840
O3	0.000	-1.282	0.840
F4	1.184	0.000	-0.906
F5	-1.184	0.000	-0.906

	S1	O2	O3	F4	F5
S1		1.4421	1.4421	1.6069	1.6069
O2	1.4421		2.5648	2.4689	2.4689
O3	1.4421	2.5648		2.4689	2.4689
F4	1.6069	2.4689	2.4689		2.3680
F5	1.6069	2.4689	2.4689	2.3680

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.556	O2	S1	F4	108.015
O2	S1	F5	108.015	O3	S1	F4	108.015
O3	S1	F5	108.015	F4	S1	F5	94.922

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

using model chemistry: BLYP/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	1.047
2	O	-0.336
3	O	-0.336
4	F	-0.187
5	F	-0.187

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

<r²>	99.213
(<r²>)^1/2	9.961

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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