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	hartrees
Energy at 0K	-748.237550
Energy at 298.15K	-748.240125
HF Energy	-748.237550
Nuclear repulsion energy	280.112113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1155	1139	151.73
2	A₁	721	710	141.96
3	A₁	469	463	16.51
4	A₁	325	320	0.01
5	A₂	331	327	0.00
6	B₁	754	743	250.35
7	B₁	462	456	11.04
8	B₂	1393	1373	251.95
9	B₂	473	466	30.61

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.186
O2	0.000	1.293	0.838
O3	0.000	-1.293	0.838
F4	1.194	0.000	-0.910
F5	-1.194	0.000	-0.910

	S1	O2	O3	F4	F5
S1		1.4480	1.4480	1.6203	1.6203
O2	1.4480		2.5854	2.4802	2.4802
O3	1.4480	2.5854		2.4802	2.4802
F4	1.6203	2.4802	2.4802		2.3876
F5	1.6203	2.4802	2.4802	2.3876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	126.442	O2	S1	F4	107.736
O2	S1	F5	107.736	O3	S1	F4	107.736
O3	S1	F5	107.736	F4	S1	F5	94.916

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

using model chemistry: B97D3/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	0.863
2	O	-0.254
3	O	-0.254
4	F	-0.177
5	F	-0.177

	x	y	z	Total
	0.000	0.000	-0.413	0.413
CHELPG
AIM
ESP

<r²>	100.390
(<r²>)^1/2	10.019

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

using model chemistry: B97D3/TZVP

States and conformations

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