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	hartrees
Energy at 0K	-748.021842
Energy at 298.15K	-748.024731
HF Energy	-748.021842
Nuclear repulsion energy	289.091280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1268	1219	159.99
2	A₁	834	802	123.17
3	A₁	533	512	25.21
4	A₁	369	354	0.03
5	A₂	366	352	0.00
6	B₁	868	835	236.38
7	B₁	520	500	19.75
8	B₂	1502	1444	270.26
9	B₂	523	503	30.34

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.169
O2	0.000	1.256	0.822
O3	0.000	-1.256	0.822
F4	1.149	0.000	-0.880
F5	-1.149	0.000	-0.880

	S1	O2	O3	F4	F5
S1		1.4157	1.4157	1.5558	1.5558
O2	1.4157		2.5124	2.4071	2.4071
O3	1.4157	2.5124		2.4071	2.4071
F4	1.5558	2.4071	2.4071		2.2983
F5	1.5558	2.4071	2.4071	2.2983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.071	O2	S1	F4	108.113
O2	S1	F5	108.113	O3	S1	F4	108.113
O3	S1	F5	108.113	F4	S1	F5	95.230

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

using model chemistry: HSEh1PBE/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	2.005
2	O	-0.625
3	O	-0.625
4	F	-0.378
5	F	-0.378

	x	y	z	Total
	0.000	0.000	-1.026	1.026
CHELPG
AIM
ESP

<r²>	95.258
(<r²>)^1/2	9.760

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

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