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	hartrees
Energy at 0K	-993.229512
Energy at 298.15K	-993.230938
HF Energy	-993.229512
Nuclear repulsion energy	239.663346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	765	765	229.20
2	A'	710	710	99.79
3	A'	388	388	4.77
4	A'	315	315	6.55
5	A"	675	675	140.06
6	A"	258	258	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.534	0.146	0.000
S2	-1.135	0.960	0.000
F3	0.534	-0.983	1.163
F4	0.534	-0.983	-1.163

	S1	S2	F3	F4
S1		1.8564	1.6202	1.6202
S2	1.8564		2.8122	2.8122
F3	1.6202	2.8122		2.3253
F4	1.6202	2.8122	2.3253

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.779		S2	S1	F4	107.779
F3	S1	F4	91.710

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

using model chemistry: SVWN/aug-cc-pV(T+d)Z

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	0.798
2	S	-0.077
3	F	-0.361
4	F	-0.361

	x	y	z	Total
	0.306	0.940	0.000	0.988
CHELPG
AIM
ESP

	x	y	z
x	7.692	-1.724	0.000
y	-1.724	6.893	0.000
z	0.000	0.000	5.963

<r²>	109.280
(<r²>)^1/2	10.454

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

using model chemistry: SVWN/aug-cc-pV(T+d)Z

States and conformations

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