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	hartrees
Energy at 0K	-995.577514
Energy at 298.15K	-995.578480
HF Energy	-995.577514
Nuclear repulsion energy	231.498630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	712	705	162.29
2	A'	619	613	149.89
3	A'	339	336	11.66
4	A'	268	265	4.43
5	A"	582	576	128.31
6	A"	234	231	0.10

Atom	x (Å)	y (Å)	z (Å)
S1	0.540	0.150	0.000
S2	-1.147	1.003	0.000
F3	0.540	-1.025	1.222
F4	0.540	-1.025	-1.222

	S1	S2	F3	F4
S1		1.8907	1.6954	1.6954
S2	1.8907		2.9076	2.9076
F3	1.6954	2.9076		2.4437
F4	1.6954	2.9076	2.4437

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.224		S2	S1	F4	108.224
F3	S1	F4	92.224

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

using model chemistry: PBEPBE/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	0.702
2	S	-0.126
3	F	-0.288
4	F	-0.288

	x	y	z	Total
	0.498	1.520	0.000	1.599
CHELPG
AIM
ESP

	x	y	z
x	6.586	-2.558	0.000
y	-2.558	5.286	0.000
z	0.000	0.000	4.041

<r²>	115.918
(<r²>)^1/2	10.766

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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