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	hartrees
Energy at 0K	-219.796303
Energy at 298.15K	-219.796895
HF Energy	-219.796303
Nuclear repulsion energy	75.609143

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	596	573	162.34
2	A'	550	529	23.21
3	A'	259	249	12.35
4	A'	207	199	3.66
5	A"	553	531	94.76
6	A"	190	182	0.54

Atom	x (Å)	y (Å)	z (Å)
S1	0.604	0.188	0.000
S2	-1.283	1.016	0.000
F3	0.604	-1.071	1.305
F4	0.604	-1.071	-1.305

	S1	S2	F3	F4
S1		2.0607	1.8133	1.8133
S2	2.0607		3.1016	3.1016
F3	1.8133	3.1016		2.6103
F4	1.8133	3.1016	2.6103

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	106.205		S2	S1	F4	106.205
F3	S1	F4	92.072

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

using model chemistry: B3LYP/LANL2DZ

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	0.752
2	S	-0.033
3	F	-0.359
4	F	-0.359

	x	y	z	Total
	0.489	2.631	0.000	2.676
CHELPG
AIM
ESP

	x	y	z
x	6.778	-3.440	0.000
y	-3.440	5.102	0.000
z	0.000	0.000	3.942

<r²>	98.991
(<r²>)^1/2	9.949

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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