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	hartrees
Energy at 0K	-747.956616
Energy at 298.15K	-747.958430
HF Energy	-747.956616
Nuclear repulsion energy	257.194119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	914	879	95.58
2	A₁	663	638	51.30
3	A₁	352	338	20.45
4	A₁	227	218	0.24
5	A₂	230	221	0.00
6	B₁	716	689	127.22
7	B₁	323	310	20.61
8	B₂	1031	992	83.18
9	B₂	343	330	25.19

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.199
O2	0.000	1.415	0.928
O3	0.000	-1.415	0.928
F4	1.274	0.000	-1.001
F5	-1.274	0.000	-1.001

	S1	O2	O3	F4	F5
S1		1.5916	1.5916	1.7504	1.7504
O2	1.5916		2.8292	2.7107	2.7107
O3	1.5916	2.8292		2.7107	2.7107
F4	1.7504	2.7107	2.7107		2.5485
F5	1.7504	2.7107	2.7107	2.5485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.445	O2	S1	F4	108.314
O2	S1	F5	108.314	O3	S1	F4	108.314
O3	S1	F5	108.314	F4	S1	F5	93.432

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

using model chemistry: B3LYP/6-31G

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	1.455
2	O	-0.438
3	O	-0.438
4	F	-0.289
5	F	-0.289

	x	y	z	Total
	0.000	0.000	0.063	0.063
CHELPG
AIM
ESP

<r²>	116.137
(<r²>)^1/2	10.777

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

using model chemistry: B3LYP/6-31G

States and conformations

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