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	hartrees
Energy at 0K	-748.460909
Energy at 298.15K	-748.463726
HF Energy	-748.460909
Nuclear repulsion energy	287.133997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1230	1190	155.83
2	A₁	800	774	125.77
3	A₁	520	503	22.53
4	A₁	359	347	0.01
5	A₂	358	346	0.00
6	B₁	833	806	236.43
7	B₁	506	489	17.35
8	B₂	1459	1411	261.33
9	B₂	511	494	29.70

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.165
O2	0.000	1.252	0.821
O3	0.000	-1.252	0.821
F4	1.152	0.000	-0.876
F5	-1.152	0.000	-0.876

	S1	O2	O3	F4	F5
S1		1.4130	1.4130	1.5527	1.5527
O2	1.4130		2.5031	2.4027	2.4027
O3	1.4130	2.5031		2.4027	2.4027
F4	1.5527	2.4027	2.4027		2.3045
F5	1.5527	2.4027	2.4027	2.3045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	124.677	O2	S1	F4	108.131
O2	S1	F5	108.131	O3	S1	F4	108.131
O3	S1	F5	108.131	F4	S1	F5	95.817

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

using model chemistry: B3LYPultrafine/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	2.110
2	O	-0.650
3	O	-0.650
4	F	-0.405
5	F	-0.405

	x	y	z	Total
	0.000	0.000	-0.937	0.937
CHELPG
AIM
ESP

<r²>	96.476
(<r²>)^1/2	9.822

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

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