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	hartrees
Energy at 0K	-994.008779
Energy at 298.15K	-994.010552
HF Energy	-994.008779
Nuclear repulsion energy	245.489211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	893	893	283.68
2	A'	752	752	152.44
3	A'	488	488	9.92
4	A'	389	389	14.24
5	A"	856	856	163.80
6	A"	311	311	0.28

Atom	x (Å)	y (Å)	z (Å)
S1	0.533	0.117	0.000
S2	-1.132	0.953	0.000
F3	0.533	-0.952	1.119
F4	0.533	-0.952	-1.119

	S1	S2	F3	F4
S1		1.8625	1.5473	1.5473
S2	1.8625		2.7659	2.7659
F3	1.5473	2.7659		2.2371
F4	1.5473	2.7659	2.2371

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.064		S2	S1	F4	108.064
F3	S1	F4	92.584

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

using model chemistry: HF/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	1.136
2	S	-0.238
3	F	-0.449
4	F	-0.449

	x	y	z	Total
	1.217	0.202	0.000	1.234
CHELPG
AIM
ESP

	x	y	z
x	7.039	-1.388	0.000
y	-1.388	6.056	0.000
z	0.000	0.000	5.374

<r²>	106.192
(<r²>)^1/2	10.305

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

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

States and conformations

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