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	hartrees
Energy at 0K	-90.139528
Energy at 298.15K	-90.141149
HF Energy	-90.139528
Nuclear repulsion energy	97.382721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	849	827	97.98
2	A₁	616	601	62.20
3	A₁	322	314	15.84
4	A₁	213	208	0.26
5	A₂	211	206	0.00
6	B₁	653	637	141.85
7	B₁	298	291	15.35
8	B₂	945	921	88.66
9	B₂	318	310	25.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.209
O2	0.000	1.430	0.940
O3	0.000	-1.430	0.940
F4	1.304	0.000	-1.022
F5	-1.304	0.000	-1.022

	S1	O2	O3	F4	F5
S1		1.6057	1.6057	1.7933	1.7933
O2	1.6057		2.8598	2.7555	2.7555
O3	1.6057	2.8598		2.7555	2.7555
F4	1.7933	2.7555	2.7555		2.6082
F5	1.7933	2.7555	2.7555	2.6082

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.872	O2	S1	F4	108.198
O2	S1	F5	108.198	O3	S1	F4	108.198
O3	S1	F5	108.198	F4	S1	F5	93.307

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

using model chemistry: B3LYP/CEP-121G

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	1.132
2	O	-0.298
3	O	-0.298
4	F	-0.268
5	F	-0.268

	x	y	z	Total
	0.000	0.000	0.591	0.591
CHELPG
AIM
ESP

<r²>	96.347
(<r²>)^1/2	9.816

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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