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	hartrees
Energy at 0K	-996.092784
Energy at 298.15K	-996.093636
HF Energy	-996.092784
Nuclear repulsion energy	228.755981

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	676	674	143.58
2	A'	584	583	153.87
3	A'	322	321	12.83
4	A'	252	252	3.17
5	A"	543	542	122.97
6	A"	225	225	0.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.544	0.152	0.000
S2	-1.157	1.014	0.000
F3	0.544	-1.037	1.242
F4	0.544	-1.037	-1.242

	S1	S2	F3	F4
S1		1.9069	1.7197	1.7197
S2	1.9069		2.9398	2.9398
F3	1.7197	2.9398		2.4848
F4	1.7197	2.9398	2.4848

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.201		S2	S1	F4	108.201
F3	S1	F4	92.513

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

using model chemistry: BLYP/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	0.720
2	S	-0.118
3	F	-0.301
4	F	-0.301

	x	y	z	Total
	0.448	1.729	0.000	1.787
CHELPG
AIM
ESP

	x	y	z
x	6.723	-2.657	0.000
y	-2.657	5.432	0.000
z	0.000	0.000	4.147

<r²>	118.277
(<r²>)^1/2	10.876

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

using model chemistry: BLYP/6-311G*

States and conformations

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