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	hartrees
Energy at 0K	-747.520387
Energy at 298.15K	-747.523384
HF Energy	-746.244911
Nuclear repulsion energy	291.591491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1295	1231	169.75
2	A₁	881	838	117.47
3	A₁	552	525	32.32
4	A₁	386	367	0.05
5	A₂	382	363	0.00
6	B₁	918	873	237.58
7	B₁	543	516	25.80
8	B₂	1528	1453	285.37
9	B₂	544	517	34.83

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.164
O2	0.000	1.246	0.815
O3	0.000	-1.246	0.815
F4	1.134	0.000	-0.870
F5	-1.134	0.000	-0.870

	S1	O2	O3	F4	F5
S1		1.4059	1.4059	1.5347	1.5347
O2	1.4059		2.4924	2.3827	2.3827
O3	1.4059	2.4924		2.3827	2.3827
F4	1.5347	2.3827	2.3827		2.2687
F5	1.5347	2.3827	2.3827	2.2687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	124.847	O2	S1	F4	108.167
O2	S1	F5	108.167	O3	S1	F4	108.167
O3	S1	F5	108.167	F4	S1	F5	95.320

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

using model chemistry: CCSD=FULL/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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All results from a given calculation for SO2F2 (Sulfuryl fluoride)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

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