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	hartrees
Energy at 0K	-996.102673
Energy at 298.15K	-996.103762
HF Energy	-996.102673
Nuclear repulsion energy	234.336738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	721	710	166.25
2	A'	650	640	161.98
3	A'	361	355	8.09
4	A'	292	288	3.87
5	A"	603	594	142.16
6	A"	249	245	0.13

Atom	x (Å)	y (Å)	z (Å)
S1	0.538	0.147	0.000
S2	-1.144	0.986	0.000
F3	0.538	-1.007	1.204
F4	0.538	-1.007	-1.204

	S1	S2	F3	F4
S1		1.8794	1.6676	1.6676
S2	1.8794		2.8722	2.8722
F3	1.6676	2.8722		2.4078
F4	1.6676	2.8722	2.4078

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.995		S2	S1	F4	107.995
F3	S1	F4	92.430

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

using model chemistry: B97D3/aug-cc-pVTZ

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	0.969
2	S	-0.136
3	F	-0.416
4	F	-0.416

	x	y	z	Total
	0.292	1.235	0.000	1.269
CHELPG
AIM
ESP

	x	y	z
x	7.748	-1.902	0.000
y	-1.902	7.150	0.000
z	0.000	0.000	6.138

<r²>	113.220
(<r²>)^1/2	10.640

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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