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	hartrees
Energy at 0K	-995.926477
Energy at 298.15K	-995.927721
HF Energy	-995.926477
Nuclear repulsion energy	236.683476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	754	718	264.92
2	A'	719	685	145.19
3	A'	391	373	8.77
4	A'	318	303	10.18
5	A"	678	645	176.85
6	A"	259	247	0.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.537	0.128	0.000
S2	-1.140	0.983	0.000
F3	0.537	-0.987	1.166
F4	0.537	-0.987	-1.166

	S1	S2	F3	F4
S1		1.8823	1.6131	1.6131
S2	1.8823		2.8375	2.8375
F3	1.6131	2.8375		2.3316
F4	1.6131	2.8375	2.3316

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.296		S2	S1	F4	108.296
F3	S1	F4	92.559

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

using model chemistry: wB97X-D/cc-pVDZ

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	0.708
2	S	-0.089
3	F	-0.309
4	F	-0.309

	x	y	z	Total
	0.674	1.274	0.000	1.441
CHELPG
AIM
ESP

	x	y	z
x	6.951	-2.142	0.000
y	-2.142	5.876	0.000
z	0.000	0.000	4.720

<r²>	111.909
(<r²>)^1/2	10.579

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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