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	hartrees
Energy at 0K	-747.957540
Energy at 298.15K	-747.960436
HF Energy	-747.607854
Nuclear repulsion energy	289.846697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1265	1208	141.72
2	A₁	834	797	100.83
3	A₁	535	511	23.50
4	A₁	372	355	0.06
5	A₂	372	355	0.00
6	B₁	886	846	203.84
7	B₁	523	499	18.76
8	B₂	1502	1435	217.79
9	B₂	527	503	27.90

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.165
O2	0.000	1.250	0.816
O3	0.000	-1.250	0.816
F4	1.140	0.000	-0.872
F5	-1.140	0.000	-0.872

	S1	O2	O3	F4	F5
S1		1.4095	1.4095	1.5411	1.5411
O2	1.4095		2.5010	2.3898	2.3898
O3	1.4095	2.5010		2.3898	2.3898
F4	1.5411	2.3898	2.3898		2.2794
F5	1.5411	2.3898	2.3898	2.2794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.038	O2	S1	F4	108.096
O2	S1	F5	108.096	O3	S1	F4	108.096
O3	S1	F5	108.096	F4	S1	F5	95.385

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

using model chemistry: B2PLYP/6-31G(2df,p)

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	0.594
2	O	-0.238
3	O	-0.238
4	F	-0.059
5	F	-0.059

	x	y	z	Total
	0.000	0.000	-1.120	1.120
CHELPG
AIM
ESP

<r²>	94.351
(<r²>)^1/2	9.713

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

using model chemistry: B2PLYP/6-31G(2df,p)

States and conformations

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