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	hartrees
Energy at 0K	-996.152887
Energy at 298.15K	-996.153893
HF Energy	-996.152887
Nuclear repulsion energy	231.805059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	695	693	156.64
2	A'	631	629	151.27
3	A'	344	343	8.32
4	A'	278	277	3.42
5	A"	586	585	133.99
6	A"	238	238	0.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.545	0.148	0.000
S2	-1.157	0.996	0.000
F3	0.545	-1.017	1.218
F4	0.545	-1.017	-1.218

	S1	S2	F3	F4
S1		1.9014	1.6847	1.6847
S2	1.9014		2.9033	2.9033
F3	1.6847	2.9033		2.4352
F4	1.6847	2.9033	2.4352

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.959		S2	S1	F4	107.959
F3	S1	F4	92.561

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

using model chemistry: BLYP/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	0.628
2	S	-0.131
3	F	-0.248
4	F	-0.248

	x	y	z	Total
	0.400	1.257	0.000	1.319
CHELPG
AIM
ESP

	x	y	z
x	6.918	-2.222	0.000
y	-2.222	5.883	0.000
z	0.000	0.000	4.815

<r²>	115.246
(<r²>)^1/2	10.735

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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