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	hartrees
Energy at 0K	-996.005460
Energy at 298.15K	-996.006739
HF Energy	-996.005460
Nuclear repulsion energy	238.073157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	755	726	292.75
2	A'	725	697	67.92
3	A'	398	383	6.00
4	A'	323	311	7.53
5	A"	692	665	148.22
6	A"	265	255	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.538	0.141	0.000
S2	-1.143	0.970	0.000
F3	0.538	-0.988	1.171
F4	0.538	-0.988	-1.171

	S1	S2	F3	F4
S1		1.8742	1.6265	1.6265
S2	1.8742		2.8336	2.8336
F3	1.6265	2.8336		2.3413
F4	1.6265	2.8336	2.3413

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.873		S2	S1	F4	107.873
F3	S1	F4	92.068

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

using model chemistry: B3PW91/cc-pVTZ

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	0.643
2	S	-0.179
3	F	-0.232
4	F	-0.232

	x	y	z	Total
	0.650	0.857	0.000	1.075
CHELPG
AIM
ESP

	x	y	z
x	6.659	-1.996	0.000
y	-1.996	5.493	0.000
z	0.000	0.000	4.544

<r²>	110.369
(<r²>)^1/2	10.506

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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