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	hartrees
Energy at 0K	-983.681829
Energy at 298.15K	-983.682551
HF Energy	-983.681829
Nuclear repulsion energy	221.386153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	740	676	72.61
2	A'	681	622	5.19
3	A'	295	270	6.82
4	A'	234	214	1.58
5	A"	652	596	40.47
6	A"	212	194	1.12

Atom	x (Å)	y (Å)	z (Å)
S1	0.588	0.218	0.000
S2	-1.248	0.965	0.000
F3	0.588	-1.051	1.259
F4	0.588	-1.051	-1.259

	S1	S2	F3	F4
S1		1.9823	1.7873	1.7873
S2	1.9823		3.0034	3.0034
F3	1.7873	3.0034		2.5171
F4	1.7873	3.0034	2.5171

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	105.527		S2	S1	F4	105.527
F3	S1	F4	89.525

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

using model chemistry: PBEPBE/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	0.380
2	S	-0.138
3	F	-0.121
4	F	-0.121

	x	y	z	Total
	1.173	0.205	0.000	1.191
CHELPG
AIM
ESP

	x	y	z
x	3.473	-2.074	0.000
y	-2.074	2.953	0.000
z	0.000	0.000	2.371

<r²>	119.906
(<r²>)^1/2	10.950

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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