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	hartrees
Energy at 0K	-994.023341
Energy at 298.15K	-994.024930
HF Energy	-994.023341
Nuclear repulsion energy	245.101844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	893	812	283.34
2	A'	748	679	151.32
3	A'	485	440	10.64
4	A'	387	351	14.05
5	A"	857	779	166.66
6	A"	310	282	0.41

Atom	x (Å)	y (Å)	z (Å)
S1	0.535	0.119	0.000
S2	-1.136	0.952	0.000
F3	0.535	-0.952	1.120
F4	0.535	-0.952	-1.120

	S1	S2	F3	F4
S1		1.8671	1.5491	1.5491
S2	1.8671		2.7693	2.7693
F3	1.5491	2.7693		2.2402
F4	1.5491	2.7693	2.2402

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.955		S2	S1	F4	107.955
F3	S1	F4	92.615

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

using model chemistry: HF/cc-pVQZ

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	0.872
2	S	-0.283
3	F	-0.294
4	F	-0.294

	x	y	z	Total
	1.306	0.193	0.000	1.320
CHELPG
AIM
ESP

	x	y	z
x	6.648	-1.565	0.000
y	-1.565	5.444	0.000
z	0.000	0.000	4.743

<r²>	106.403
(<r²>)^1/2	10.315

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

using model chemistry: HF/cc-pVQZ

States and conformations

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