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	hartrees
Energy at 0K	-991.062853
Energy at 298.15K	-991.064139
HF Energy	-991.062853
Nuclear repulsion energy	237.708643

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	808	775	252.32
2	A'	739	709	28.36
3	A'	388	372	11.40
4	A'	310	298	7.57
5	A"	776	744	96.60
6	A"	257	247	1.22

Atom	x (Å)	y (Å)	z (Å)
S1	0.532	0.132	0.000
S2	-1.131	0.988	0.000
F3	0.532	-0.996	1.177
F4	0.532	-0.996	-1.177

	S1	S2	F3	F4
S1		1.8702	1.6304	1.6304
S2	1.8702		2.8439	2.8439
F3	1.6304	2.8439		2.3538
F4	1.6304	2.8439	2.3538

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.467		S2	S1	F4	108.467
F3	S1	F4	92.412

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

using model chemistry: B3PW91/3-21G*

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	0.796
2	S	-0.236
3	F	-0.280
4	F	-0.280

	x	y	z	Total
	1.251	0.536	0.000	1.361
CHELPG
AIM
ESP

	x	y	z
x	5.542	-2.204	0.000
y	-2.204	4.367	0.000
z	0.000	0.000	3.354

<r²>	110.996
(<r²>)^1/2	10.535

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

using model chemistry: B3PW91/3-21G*

States and conformations

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