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	hartrees
Energy at 0K	-993.049515
Energy at 298.15K	-993.050624
HF Energy	-993.049515
Nuclear repulsion energy	235.033955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	749	738	229.55
2	A'	686	675	118.75
3	A'	357	352	8.11
4	A'	288	284	6.57
5	A"	652	643	162.42
6	A"	240	236	0.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.539	0.152	0.000
S2	-1.145	0.985	0.000
F3	0.539	-1.010	1.187
F4	0.539	-1.010	-1.187

	S1	S2	F3	F4
S1		1.8783	1.6617	1.6617
S2	1.8783		2.8679	2.8679
F3	1.6617	2.8679		2.3743
F4	1.6617	2.8679	2.3743

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.064		S2	S1	F4	108.064
F3	S1	F4	91.195

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

using model chemistry: LSDA/6-31+G**

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	0.596
2	S	-0.022
3	F	-0.287
4	F	-0.287

	x	y	z	Total
	0.301	1.487	0.000	1.517
CHELPG
AIM
ESP

	x	y	z
x	7.205	-2.223	0.000
y	-2.223	6.210	0.000
z	0.000	0.000	5.001

<r²>	113.088
(<r²>)^1/2	10.634

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

using model chemistry: LSDA/6-31+G**

States and conformations

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