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	hartrees
Energy at 0K	-996.189607
Energy at 298.15K	-996.190808
HF Energy	-996.189607
Nuclear repulsion energy	236.402648

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	728	705	211.95
2	A'	693	670	146.31
3	A'	386	373	6.03
4	A'	314	304	7.25
5	A"	647	626	146.15
6	A"	258	250	0.04

Atom	x (Å)	y (Å)	z (Å)
S1	0.540	0.146	0.000
S2	-1.147	0.976	0.000
F3	0.540	-0.998	1.179
F4	0.540	-0.998	-1.179

	S1	S2	F3	F4
S1		1.8800	1.6434	1.6434
S2	1.8800		2.8522	2.8522
F3	1.6434	2.8522		2.3587
F4	1.6434	2.8522	2.3587

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.909		S2	S1	F4	107.909
F3	S1	F4	91.720

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

using model chemistry: B3LYP/aug-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	1.009
2	S	-0.143
3	F	-0.433
4	F	-0.433

	x	y	z	Total
	0.468	1.146	0.000	1.238
CHELPG
AIM
ESP

	x	y	z
x	7.661	-1.813	0.000
y	-1.813	6.938	0.000
z	0.000	0.000	5.968

<r²>	111.962
(<r²>)^1/2	10.581

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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