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	hartrees
Energy at 0K	-995.870216
Energy at 298.15K	-995.871523
HF Energy	-995.870216
Nuclear repulsion energy	239.234806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	773	743	296.56
2	A'	732	703	23.28
3	A'	405	389	5.17
4	A'	326	314	6.77
5	A"	728	700	120.32
6	A"	268	257	0.11

Atom	x (Å)	y (Å)	z (Å)
S1	0.537	0.133	0.000
S2	-1.141	0.970	0.000
F3	0.537	-0.981	1.163
F4	0.537	-0.981	-1.163

	S1	S2	F3	F4
S1		1.8758	1.6106	1.6106
S2	1.8758		2.8246	2.8246
F3	1.6106	2.8246		2.3253
F4	1.6106	2.8246	2.3253

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.988		S2	S1	F4	107.988
F3	S1	F4	92.422

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

using model chemistry: B3PW91/6-31G(2df,p)

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	0.475
2	S	-0.213
3	F	-0.131
4	F	-0.131

	x	y	z	Total
	0.893	0.389	0.000	0.974
CHELPG
AIM
ESP

	x	y	z
x	6.597	-1.920	0.000
y	-1.920	5.438	0.000
z	0.000	0.000	4.503

<r²>	109.384
(<r²>)^1/2	10.459

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

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