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	hartrees
Energy at 0K	-991.231543
Energy at 298.15K	-991.232786
HF Energy	-991.231543
Nuclear repulsion energy	236.663210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	789	759	239.21
2	A'	721	694	29.51
3	A'	380	366	11.02
4	A'	304	292	7.27
5	A"	760	731	92.89
6	A"	251	242	1.21

Atom	x (Å)	y (Å)	z (Å)
S1	0.535	0.133	0.000
S2	-1.137	0.991	0.000
F3	0.535	-1.000	1.182
F4	0.535	-1.000	-1.182

	S1	S2	F3	F4
S1		1.8800	1.6368	1.6368
S2	1.8800		2.8563	2.8563
F3	1.6368	2.8563		2.3631
F4	1.6368	2.8563	2.3631

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.419		S2	S1	F4	108.419
F3	S1	F4	92.415

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

using model chemistry: B3LYP/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	0.789
2	S	-0.232
3	F	-0.279
4	F	-0.279

	x	y	z	Total
	1.248	0.563	0.000	1.369
CHELPG
AIM
ESP

	x	y	z
x	5.560	-2.227	0.000
y	-2.227	4.392	0.000
z	0.000	0.000	3.373

<r²>	111.797
(<r²>)^1/2	10.573

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

using model chemistry: B3LYP/3-21G*

States and conformations

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