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	hartrees
Energy at 0K	-988.787499
Energy at 298.15K	-988.788285
HF Energy	-988.787499
Nuclear repulsion energy	220.508385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	905	819	67.37
2	A'	358	324	19.79
3	A'	317	287	7.25
4	A'	211	191	9.52
5	A"	924	837	55.36
6	A"	184	167	3.42

Atom	x (Å)	y (Å)	z (Å)
S1	0.654	0.111	0.000
S2	-1.390	1.006	0.000
F3	0.654	-0.993	1.211
F4	0.654	-0.993	-1.211

	S1	S2	F3	F4
S1		2.2317	1.6383	1.6383
S2	2.2317		3.1052	3.1052
F3	1.6383	3.1052		2.4212
F4	1.6383	3.1052	2.4212

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	105.686		S2	S1	F4	105.686
F3	S1	F4	95.276

All results from a given calculation for S₂F₂ (Thio-thionyl fluoride)

using model chemistry: HF/3-21G

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	1.078
2	S	-0.283
3	F	-0.398
4	F	-0.398

	x	y	z	Total
	2.667	0.633	0.000	2.741
CHELPG
AIM
ESP

	x	y	z
x	5.939	-2.512	0.000
y	-2.512	3.788	0.000
z	0.000	0.000	3.150

<r²>	129.680
(<r²>)^1/2	11.388

All results from a given calculation for S2F2 (Thio-thionyl fluoride)

using model chemistry: HF/3-21G

States and conformations

All results from a given calculation for S₂F₂ (Thio-thionyl fluoride)