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	hartrees
Energy at 0K	-748.340879
Energy at 298.15K	-748.343381
HF Energy	-748.340879
Nuclear repulsion energy	279.093486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1138	1135	135.27
2	A₁	698	696	124.76
3	A₁	464	463	14.61
4	A₁	315	315	0.06
5	A₂	323	322	0.00
6	B₁	741	740	223.41
7	B₁	451	450	10.92
8	B₂	1371	1367	222.73
9	B₂	462	461	29.12

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.187
O2	0.000	1.290	0.845
O3	0.000	-1.290	0.845
F4	1.201	0.000	-0.918
F5	-1.201	0.000	-0.918

	S1	O2	O3	F4	F5
S1		1.4476	1.4476	1.6319	1.6319
O2	1.4476		2.5793	2.4925	2.4925
O3	1.4476	2.5793		2.4925	2.4925
F4	1.6319	2.4925	2.4925		2.4012
F5	1.6319	2.4925	2.4925	2.4012

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.960	O2	S1	F4	107.920
O2	S1	F5	107.920	O3	S1	F4	107.920
O3	S1	F5	107.920	F4	S1	F5	94.735

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

using model chemistry: BLYP/6-311G*

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	1.221
2	O	-0.358
3	O	-0.358
4	F	-0.252
5	F	-0.252

	x	y	z	Total
	0.000	0.000	-0.380	0.380
CHELPG
AIM
ESP

<r²>	101.231
(<r²>)^1/2	10.061

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

using model chemistry: BLYP/6-311G*

States and conformations

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