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	hartrees
Energy at 0K	-738.142229
Energy at 298.15K	-738.143389
HF Energy	-738.142229
Nuclear repulsion energy	251.492545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	932	852	40.36
2	A₁	631	577	24.90
3	A₁	265	242	10.16
4	A₁	184	168	0.07
5	A₂	193	177	0.00
6	B₁	680	621	66.64
7	B₁	259	237	9.30
8	B₂	1072	980	28.77
9	B₂	286	261	9.86

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.216
O2	0.000	1.454	0.929
O3	0.000	-1.454	0.929
F4	1.311	0.000	-1.018
F5	-1.311	0.000	-1.018

	S1	O2	O3	F4	F5
S1		1.6191	1.6191	1.8007	1.8007
O2	1.6191		2.9070	2.7613	2.7613
O3	1.6191	2.9070		2.7613	2.7613
F4	1.8007	2.7613	2.7613		2.6222
F5	1.8007	2.7613	2.7613	2.6222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	127.723	O2	S1	F4	107.576
O2	S1	F5	107.576	O3	S1	F4	107.576
O3	S1	F5	107.576	F4	S1	F5	93.456

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

using model chemistry: PBEPBE/STO-3G

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	0.774
2	O	-0.264
3	O	-0.264
4	F	-0.123
5	F	-0.123

	x	y	z	Total
	0.000	0.000	-0.344	0.344
CHELPG
AIM
ESP

<r²>	116.598
(<r²>)^1/2	10.798

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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