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	hartrees
Energy at 0K	-748.256015
Energy at 298.15K	-748.258684
HF Energy	-748.256015
Nuclear repulsion energy	280.718517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1188	1153	159.36
2	A₁	784	761	112.79
3	A₁	485	471	24.94
4	A₁	334	324	0.00
5	A₂	334	324	0.00
6	B₁	827	802	228.78
7	B₁	477	462	20.40
8	B₂	1409	1367	238.52
9	B₂	478	464	32.33

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.185
O2	0.000	1.291	0.841
O3	0.000	-1.291	0.841
F4	1.184	0.000	-0.912
F5	-1.184	0.000	-0.912

	S1	O2	O3	F4	F5
S1		1.4483	1.4483	1.6135	1.6135
O2	1.4483		2.5818	2.4779	2.4779
O3	1.4483	2.5818		2.4779	2.4779
F4	1.6135	2.4779	2.4779		2.3679
F5	1.6135	2.4779	2.4779	2.3679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	126.088	O2	S1	F4	107.936
O2	S1	F5	107.936	O3	S1	F4	107.936
O3	S1	F5	107.936	F4	S1	F5	94.411

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

using model chemistry: B3LYP/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	1.155
2	O	-0.341
3	O	-0.341
4	F	-0.237
5	F	-0.237

	x	y	z	Total
	0.000	0.000	-0.518	0.518
CHELPG
AIM
ESP

<r²>	99.653
(<r²>)^1/2	9.983

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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