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	hartrees
Energy at 0K	-994.000621
Energy at 298.15K	-994.002222
HF Energy	-994.000621
Nuclear repulsion energy	245.566335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	901	817	302.11
2	A'	758	687	153.14
3	A'	489	443	11.54
4	A'	390	354	14.29
5	A"	863	782	183.02
6	A"	313	284	0.55

Atom	x (Å)	y (Å)	z (Å)
S1	0.535	0.126	0.000
S2	-1.137	0.950	0.000
F3	0.535	-0.956	1.121
F4	0.535	-0.956	-1.121

	S1	S2	F3	F4
S1		1.8645	1.5583	1.5583
S2	1.8645		2.7730	2.7730
F3	1.5583	2.7730		2.2428
F4	1.5583	2.7730	2.2428

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.889		S2	S1	F4	107.889
F3	S1	F4	92.045

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

using model chemistry: HF/Def2TZVPP

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	0.769
2	S	-0.273
3	F	-0.248
4	F	-0.248

	x	y	z	Total
	1.270	0.227	0.000	1.290
CHELPG
AIM
ESP

	x	y	z
x	6.273	-1.690	0.000
y	-1.690	4.887	0.000
z	0.000	0.000	4.152

<r²>	106.006
(<r²>)^1/2	10.296

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

using model chemistry: HF/Def2TZVPP

States and conformations

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