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	hartrees
Energy at 0K	-996.181485
Energy at 298.15K	-996.182713
HF Energy	-996.181485
Nuclear repulsion energy	236.754779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	733	709	272.82
2	A'	706	683	82.93
3	A'	389	376	6.23
4	A'	317	306	7.21
5	A"	668	646	146.25
6	A"	260	252	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.541	0.144	0.000
S2	-1.149	0.974	0.000
F3	0.541	-0.994	1.177
F4	0.541	-0.994	-1.177

	S1	S2	F3	F4
S1		1.8822	1.6375	1.6375
S2	1.8822		2.8484	2.8484
F3	1.6375	2.8484		2.3548
F4	1.6375	2.8484	2.3548

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.848		S2	S1	F4	107.848
F3	S1	F4	91.949

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

using model chemistry: B3LYP/cc-pVTZ

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	0.671
2	S	-0.172
3	F	-0.249
4	F	-0.249

	x	y	z	Total
	0.625	0.996	0.000	1.176
CHELPG
AIM
ESP

	x	y	z
x	6.714	-2.041	0.000
y	-2.041	5.538	0.000
z	0.000	0.000	4.566

<r²>	111.482
(<r²>)^1/2	10.559

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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