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	hartrees
Energy at 0K	-992.878704
Energy at 298.15K	-992.879376
HF Energy	-992.878704
Nuclear repulsion energy	218.393559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	664	650	157.32
2	A'	596	584	9.74
3	A'	260	255	10.05
4	A'	185	181	2.84
5	A"	625	612	75.91
6	A"	186	182	0.77

Atom	x (Å)	y (Å)	z (Å)
S1	0.585	0.169	0.000
S2	-1.243	1.029	0.000
F3	0.585	-1.065	1.297
F4	0.585	-1.065	-1.297

	S1	S2	F3	F4
S1		2.0203	1.7902	1.7902
S2	2.0203		3.0673	3.0673
F3	1.7902	3.0673		2.5947
F4	1.7902	3.0673	2.5947

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.058		S2	S1	F4	107.058
F3	S1	F4	92.889

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

using model chemistry: LSDA/6-31G

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	0.655
2	S	-0.048
3	F	-0.303
4	F	-0.303

	x	y	z	Total
	0.648	1.877	0.000	1.986
CHELPG
AIM
ESP

	x	y	z
x	6.772	-3.096	0.000
y	-3.096	5.409	0.000
z	0.000	0.000	4.152

<r²>	127.490
(<r²>)^1/2	11.291

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

using model chemistry: LSDA/6-31G

States and conformations

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