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	hartrees
Energy at 0K	-68.507369
Energy at 298.15K	-68.507994
HF Energy	-68.507369
Nuclear repulsion energy	57.622163

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	612	596	182.58
2	A'	581	567	19.45
3	A'	258	251	12.90
4	A'	197	192	3.88
5	A"	553	539	96.09
6	A"	184	180	0.21

Atom	x (Å)	y (Å)	z (Å)
S1	0.595	0.187	0.000
S2	-1.264	1.038	0.000
F3	0.595	-1.089	1.319
F4	0.595	-1.089	-1.319

	S1	S2	F3	F4
S1		2.0445	1.8354	1.8354
S2	2.0445		3.1176	3.1176
F3	1.8354	3.1176		2.6385
F4	1.8354	3.1176	2.6385

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	106.813		S2	S1	F4	106.813
F3	S1	F4	91.907

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

using model chemistry: B3LYP/CEP-121G

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	0.692
2	S	0.002
3	F	-0.347
4	F	-0.347

	x	y	z	Total
	0.335	2.837	0.000	2.857
CHELPG
AIM
ESP

	x	y	z
x	7.303	-3.310	0.000
y	-3.310	6.149	0.000
z	0.000	0.000	4.791

<r²>	86.913
(<r²>)^1/2	9.323

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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