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	hartrees
Energy at 0K	-995.942822
Energy at 298.15K	-995.943805
HF Energy	-995.942822
Nuclear repulsion energy	231.421140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	715	702	166.43
2	A'	626	615	173.67
3	A'	341	335	11.58
4	A'	273	268	3.79
5	A"	581	571	161.86
6	A"	236	232	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.539	0.149	0.000
S2	-1.144	1.005	0.000
F3	0.539	-1.026	1.225
F4	0.539	-1.026	-1.225

	S1	S2	F3	F4
S1		1.8881	1.6977	1.6977
S2	1.8881		2.9085	2.9085
F3	1.6977	2.9085		2.4491
F4	1.6977	2.9085	2.4491

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.593		S2	S1	F4	108.593
F3	S1	F4	93.661

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

using model chemistry: B97D3/6-31+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	0.611
2	S	-0.014
3	F	-0.298
4	F	-0.298

	x	y	z	Total
	0.257	1.706	0.000	1.725
CHELPG
AIM
ESP

	x	y	z
x	7.175	-2.355	0.000
y	-2.355	6.390	0.000
z	0.000	0.000	5.140

<r²>	115.842
(<r²>)^1/2	10.763

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

using model chemistry: B97D3/6-31+G**

States and conformations

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