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	hartrees
Energy at 0K	-748.015022
Energy at 298.15K	-748.017930
HF Energy	-748.015022
Nuclear repulsion energy	289.298549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1276	1227	163.35
2	A₁	842	809	125.09
3	A₁	536	515	26.42
4	A₁	371	356	0.03
5	A₂	369	355	0.00
6	B₁	879	845	244.30
7	B₁	523	502	20.92
8	B₂	1513	1455	267.88
9	B₂	527	507	32.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.168
O2	0.000	1.256	0.821
O3	0.000	-1.256	0.821
F4	1.148	0.000	-0.879
F5	-1.148	0.000	-0.879

	S1	O2	O3	F4	F5
S1		1.4152	1.4152	1.5541	1.5541
O2	1.4152		2.5115	2.4053	2.4053
O3	1.4152	2.5115		2.4053	2.4053
F4	1.5541	2.4053	2.4053		2.2960
F5	1.5541	2.4053	2.4053	2.2960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.076	O2	S1	F4	108.110
O2	S1	F5	108.110	O3	S1	F4	108.110
O3	S1	F5	108.110	F4	S1	F5	95.240

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

using model chemistry: HSEh1PBE/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	1.045
2	O	-0.352
3	O	-0.352
4	F	-0.170
5	F	-0.170

	x	y	z	Total
	0.000	0.000	-1.047	1.047
CHELPG
AIM
ESP

<r²>	94.969
(<r²>)^1/2	9.745

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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