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	hartrees
Energy at 0K	-984.299584
Energy at 298.15K	-984.300445
HF Energy	-984.299584
Nuclear repulsion energy	225.758821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	779	688	79.50
2	A'	708	625	5.42
3	A'	318	281	8.97
4	A'	263	232	3.83
5	A"	703	621	35.99
6	A"	226	200	1.63

Atom	x (Å)	y (Å)	z (Å)
S1	0.584	0.215	0.000
S2	-1.241	0.944	0.000
F3	0.584	-1.030	1.217
F4	0.584	-1.030	-1.217

	S1	S2	F3	F4
S1		1.9654	1.7404	1.7404
S2	1.9654		2.9506	2.9506
F3	1.7404	2.9506		2.4334
F4	1.7404	2.9506	2.4334

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	105.374		S2	S1	F4	105.374
F3	S1	F4	88.705

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

using model chemistry: B1B95/STO-3G

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	0.454
2	S	-0.171
3	F	-0.141
4	F	-0.141

	x	y	z	Total
	1.505	0.123	0.000	1.510
CHELPG
AIM
ESP

	x	y	z
x	3.379	-2.016	0.000
y	-2.016	2.795	0.000
z	0.000	0.000	2.209

<r²>	116.314
(<r²>)^1/2	10.785

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

using model chemistry: B1B95/STO-3G

States and conformations

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