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	hartrees
Energy at 0K	-996.082088
Energy at 298.15K	-996.083435
HF Energy	-996.082088
Nuclear repulsion energy	239.482956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	771	737	355.41
2	A'	746	713	27.05
3	A'	414	395	6.17
4	A'	335	321	8.76
5	A"	721	689	155.62
6	A"	274	262	0.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.538	0.130	0.000
S2	-1.144	0.962	0.000
F3	0.538	-0.971	1.157
F4	0.538	-0.971	-1.157

	S1	S2	F3	F4
S1		1.8769	1.5965	1.5965
S2	1.8769		2.8115	2.8115
F3	1.5965	2.8115		2.3134
F4	1.5965	2.8115	2.3134

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.805		S2	S1	F4	107.805
F3	S1	F4	92.853

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

using model chemistry: wB97X-D/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	0.655
2	S	-0.198
3	F	-0.228
4	F	-0.228

	x	y	z	Total
	0.801	0.722	0.000	1.078
CHELPG
AIM
ESP

	x	y	z
x	6.594	-1.955	0.000
y	-1.955	5.394	0.000
z	0.000	0.000	4.479

<r²>	109.400
(<r²>)^1/2	10.459

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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