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	hartrees
Energy at 0K	-990.684862
Energy at 298.15K	-990.685995
HF Energy	-990.684862
Nuclear repulsion energy	234.370762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	764	729	214.92
2	A'	696	664	23.98
3	A'	356	339	8.93
4	A'	278	265	4.14
5	A"	722	689	84.01
6	A"	238	227	0.93

Atom	x (Å)	y (Å)	z (Å)
S1	0.535	0.129	0.000
S2	-1.136	1.008	0.000
F3	0.535	-1.011	1.203
F4	0.535	-1.011	-1.203

	S1	S2	F3	F4
S1		1.8877	1.6577	1.6577
S2	1.8877		2.8833	2.8833
F3	1.6577	2.8833		2.4067
F4	1.6577	2.8833	2.4067

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.660		S2	S1	F4	108.660
F3	S1	F4	93.091

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

using model chemistry: PBEPBE/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	0.692
2	S	-0.206
3	F	-0.243
4	F	-0.243

	x	y	z	Total
	1.107	0.426	0.000	1.187
CHELPG
AIM
ESP

	x	y	z
x	5.681	-2.329	0.000
y	-2.329	4.621	0.000
z	0.000	0.000	3.519

<r²>	113.482
(<r²>)^1/2	10.653

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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