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	hartrees
Energy at 0K	-991.081114
Energy at 298.15K	-991.082469
HF Energy	-991.081114
Nuclear repulsion energy	239.923762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	831	787	249.57
2	A'	744	704	53.19
3	A'	407	385	14.21
4	A'	331	314	12.22
5	A"	805	763	101.48
6	A"	263	249	1.47

Atom	x (Å)	y (Å)	z (Å)
S1	0.533	0.139	0.000
S2	-1.132	0.971	0.000
F3	0.533	-0.987	1.155
F4	0.533	-0.987	-1.155

	S1	S2	F3	F4
S1		1.8617	1.6125	1.6125
S2	1.8617		2.8179	2.8179
F3	1.6125	2.8179		2.3092
F4	1.6125	2.8179	2.3092

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.193		S2	S1	F4	108.193
F3	S1	F4	91.456

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

using model chemistry: M06-2X/3-21G*

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	0.857
2	S	-0.248
3	F	-0.305
4	F	-0.305

	x	y	z	Total
	1.361	0.697	0.000	1.529
CHELPG
AIM
ESP

	x	y	z
x	5.486	-2.114	0.000
y	-2.114	4.184	0.000
z	0.000	0.000	3.250

<r²>	109.453
(<r²>)^1/2	10.462

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

using model chemistry: M06-2X/3-21G*

States and conformations

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