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	hartrees
Energy at 0K	-748.274161
Energy at 298.15K	-748.277036
HF Energy	-748.274161
Nuclear repulsion energy	288.447027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1261	1213	161.17
2	A₁	827	795	125.57
3	A₁	529	509	24.64
4	A₁	366	352	0.02
5	A₂	365	351	0.00
6	B₁	864	831	243.22
7	B₁	516	496	19.42
8	B₂	1496	1439	262.63
9	B₂	522	502	31.28

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.169
O2	0.000	1.259	0.823
O3	0.000	-1.259	0.823
F4	1.152	0.000	-0.882
F5	-1.152	0.000	-0.882

	S1	O2	O3	F4	F5
S1		1.4181	1.4181	1.5601	1.5601
O2	1.4181		2.5170	2.4124	2.4124
O3	1.4181	2.5170		2.4124	2.4124
F4	1.5601	2.4124	2.4124		2.3045
F5	1.5601	2.4124	2.4124	2.3045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.113	O2	S1	F4	108.101
O2	S1	F5	108.101	O3	S1	F4	108.101
O3	S1	F5	108.101	F4	S1	F5	95.224

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

using model chemistry: B3PW91/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	1.054
2	O	-0.353
3	O	-0.353
4	F	-0.173
5	F	-0.173

	x	y	z	Total
	0.000	0.000	-1.009	1.009
CHELPG
AIM
ESP

<r²>	95.395
(<r²>)^1/2	9.767

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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