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	hartrees
Energy at 0K	-995.917653
Energy at 298.15K	-995.918742
HF Energy	-995.917653
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	727	713	258.40
2	A'	679	665	38.41
3	A'	358	351	7.75
4	A'	285	280	4.74
5	A"	668	655	121.07
6	A"	240	236	0.25

Atom	x (Å)	y (Å)	z (Å)
S1	0.540	0.139	0.000
S2	-1.147	1.002	0.000
F3	0.540	-1.015	1.204
F4	0.540	-1.015	-1.204

	S1	S2	F3	F4
S1		1.8944	1.6679	1.6679
S2	1.8944		2.8917	2.8917
F3	1.6679	2.8917		2.4082
F4	1.6679	2.8917	2.4082

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.623		S2	S1	F4	108.623
F3	S1	F4	93.761

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

using model chemistry: B97D3/6-31G*

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	0.762
2	S	-0.160
3	F	-0.301
4	F	-0.301

	x	y	z	Total
	0.825	0.857	0.000	1.189
CHELPG
AIM
ESP

	x	y	z
x	6.337	-2.387	0.000
y	-2.387	5.159	0.000
z	0.000	0.000	3.993

<r²>	113.916
(<r²>)^1/2	10.673

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

using model chemistry: B97D3/6-31G*

States and conformations

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