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	hartrees
Energy at 0K	-984.195141
Energy at 298.15K	-984.195933
HF Energy	-984.195141
Nuclear repulsion energy	223.688850

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	758	677	76.29
2	A'	689	614	5.26
3	A'	306	273	8.13
4	A'	252	225	3.29
5	A"	680	607	35.79
6	A"	218	194	1.41

Atom	x (Å)	y (Å)	z (Å)
S1	0.590	0.220	0.000
S2	-1.254	0.947	0.000
F3	0.590	-1.037	1.229
F4	0.590	-1.037	-1.229

	S1	S2	F3	F4
S1		1.9827	1.7580	1.7580
S2	1.9827		2.9749	2.9749
F3	1.7580	2.9749		2.4578
F4	1.7580	2.9749	2.4578

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	105.206		S2	S1	F4	105.206
F3	S1	F4	88.700

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

using model chemistry: B3LYP/STO-3G

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	0.434
2	S	-0.161
3	F	-0.137
4	F	-0.137

	x	y	z	Total
	1.421	0.182	0.000	1.432
CHELPG
AIM
ESP

	x	y	z
x	3.471	-2.048	0.000
y	-2.048	2.845	0.000
z	0.000	0.000	2.260

<r²>	117.988
(<r²>)^1/2	10.862

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

using model chemistry: B3LYP/STO-3G

States and conformations

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