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	hartrees
Energy at 0K	-748.145781
Energy at 298.15K
HF Energy	-747.756411
Nuclear repulsion energy	287.698527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1235	1187	154.44
2	A₁	809	777	123.21
3	A₁	523	503	23.69
4	A₁	364	350	0.02
5	A₂	362	348	0.00
6	B₁	846	813	233.95
7	B₁	509	490	18.03
8	B₂	1467	1410	249.57
9	B₂	515	495	30.51

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.171
O2	0.000	1.263	0.825
O3	0.000	-1.263	0.825
F4	1.154	0.000	-0.885
F5	-1.154	0.000	-0.885

	S1	O2	O3	F4	F5
S1		1.4224	1.4224	1.5638	1.5638
O2	1.4224		2.5266	2.4184	2.4184
O3	1.4224	2.5266		2.4184	2.4184
F4	1.5638	2.4184	2.4184		2.3071
F5	1.5638	2.4184	2.4184	2.3071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.286	O2	S1	F4	108.075
O2	S1	F5	108.075	O3	S1	F4	108.075
O3	S1	F5	108.075	F4	S1	F5	95.068

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

using model chemistry: B2PLYP/aug-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	1.980
2	O	-0.611
3	O	-0.611
4	F	-0.378
5	F	-0.378

	x	y	z	Total
	0.000	0.000	-0.953	0.953
CHELPG
AIM
ESP

	x	y	z
x	3.987	0.000	0.000
y	0.000	4.776	0.004
z	0.000	0.004	4.268

<r²>	96.182
(<r²>)^1/2	9.807

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

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

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