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	hartrees
Energy at 0K	-748.240904
Energy at 298.15K	-748.243773
HF Energy	-748.240904
Nuclear repulsion energy	287.052337

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1248	1181	189.53
2	A₁	851	805	145.30
3	A₁	523	494	38.13
4	A₁	362	343	0.09
5	A₂	362	342	0.00
6	B₁	879	831	279.40
7	B₁	518	490	29.12
8	B₂	1489	1409	324.54
9	B₂	521	493	43.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.177
O2	0.000	1.271	0.820
O3	0.000	-1.271	0.820
F4	1.155	0.000	-0.886
F5	-1.155	0.000	-0.886

	S1	O2	O3	F4	F5
S1		1.4242	1.4242	1.5697	1.5697
O2	1.4242		2.5421	2.4204	2.4204
O3	1.4242	2.5421		2.4204	2.4204
F4	1.5697	2.4204	2.4204		2.3099
F5	1.5697	2.4204	2.4204	2.3099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	126.373	O2	S1	F4	107.788
O2	S1	F5	107.788	O3	S1	F4	107.788
O3	S1	F5	107.788	F4	S1	F5	94.740

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

using model chemistry: M06-2X/TZVP

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	1.051
2	O	-0.331
3	O	-0.331
4	F	-0.194
5	F	-0.194

	x	y	z	Total
	0.000	0.000	-0.759	0.759
CHELPG
AIM
ESP

<r²>	96.790
(<r²>)^1/2	9.838

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

using model chemistry: M06-2X/TZVP

States and conformations

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