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	hartrees
Energy at 0K	-993.141503
Energy at 298.15K	-993.142605
HF Energy	-993.141503
Nuclear repulsion energy	235.561977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	742	733	197.94
2	A'	670	662	139.52
3	A'	359	354	10.13
4	A'	287	283	6.74
5	A"	635	627	136.66
6	A"	241	238	0.21

Atom	x (Å)	y (Å)	z (Å)
S1	0.538	0.153	0.000
S2	-1.143	0.978	0.000
F3	0.538	-1.006	1.188
F4	0.538	-1.006	-1.188

	S1	S2	F3	F4
S1		1.8717	1.6597	1.6597
S2	1.8717		2.8582	2.8582
F3	1.6597	2.8582		2.3763
F4	1.6597	2.8582	2.3763

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.920		S2	S1	F4	107.920
F3	S1	F4	91.427

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

using model chemistry: LSDA/6-311G**

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	0.696
2	S	-0.125
3	F	-0.285
4	F	-0.285

	x	y	z	Total
	0.519	1.431	0.000	1.522
CHELPG
AIM
ESP

	x	y	z
x	6.558	-2.422	0.000
y	-2.422	5.049	0.000
z	0.000	0.000	3.872

<r²>	112.677
(<r²>)^1/2	10.615

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

using model chemistry: LSDA/6-311G**

States and conformations

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