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	hartrees
Energy at 0K	-990.871524
Energy at 298.15K	-990.872113
HF Energy	-990.871524
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	615	604	122.85
2	A'	497	489	29.14
3	A'	261	256	8.33
4	A'	206	203	1.64
5	A"	602	591	62.06
6	A"	177	174	1.26

Atom	x (Å)	y (Å)	z (Å)
S1	0.601	0.139	0.000
S2	-1.277	1.052	0.000
F3	0.601	-1.059	1.293
F4	0.601	-1.059	-1.293

	S1	S2	F3	F4
S1		2.0886	1.7624	1.7624
S2	2.0886		3.1073	3.1073
F3	1.7624	3.1073		2.5855
F4	1.7624	3.1073	2.5855

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.180		S2	S1	F4	108.180
F3	S1	F4	93.587

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

using model chemistry: B97D3/3-21G

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	0.701
2	S	-0.173
3	F	-0.264
4	F	-0.264

	x	y	z	Total
	1.519	0.781	0.000	1.708
CHELPG
AIM
ESP

	x	y	z
x	6.562	-3.201	0.000
y	-3.201	4.947	0.000
z	0.000	0.000	3.680

<r²>	129.517
(<r²>)^1/2	11.381

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

using model chemistry: B97D3/3-21G

States and conformations

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