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	hartrees
Energy at 0K	-993.900408
Energy at 298.15K	-993.901897
HF Energy	-993.900408
Nuclear repulsion energy	242.181107

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	838	758	291.90
2	A'	720	652	186.14
3	A'	462	418	18.88
4	A'	372	337	20.42
5	A"	808	731	181.15
6	A"	297	269	1.41

Atom	x (Å)	y (Å)	z (Å)
S1	0.536	0.127	0.000
S2	-1.139	0.963	0.000
F3	0.536	-0.969	1.137
F4	0.536	-0.969	-1.137

	S1	S2	F3	F4
S1		1.8724	1.5790	1.5790
S2	1.8724		2.7986	2.7986
F3	1.5790	2.7986		2.2733
F4	1.5790	2.7986	2.2733

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.057		S2	S1	F4	108.057
F3	S1	F4	92.087

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

using model chemistry: HF/6-311G*

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	1.046
2	S	-0.309
3	F	-0.369
4	F	-0.369

	x	y	z	Total
	1.696	0.745	0.000	1.853
CHELPG
AIM
ESP

	x	y	z
x	5.935	-2.099	0.000
y	-2.099	4.316	0.000
z	0.000	0.000	3.405

<r²>	108.965
(<r²>)^1/2	10.439

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

using model chemistry: HF/6-311G*

States and conformations

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