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	hartrees
Energy at 0K	-991.147858
Energy at 298.15K	-991.149200
HF Energy	-991.147858
Nuclear repulsion energy	238.810431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	824	781	264.50
2	A'	756	716	35.38
3	A'	402	381	12.99
4	A'	323	306	9.11
5	A"	793	752	103.34
6	A"	265	251	1.49

Atom	x (Å)	y (Å)	z (Å)
S1	0.531	0.116	0.000
S2	-1.128	0.987	0.000
F3	0.531	-0.981	1.170
F4	0.531	-0.981	-1.170

	S1	S2	F3	F4
S1		1.8736	1.6041	1.6041
S2	1.8736		2.8272	2.8272
F3	1.6041	2.8272		2.3408
F4	1.6041	2.8272	2.3408

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.522		S2	S1	F4	108.522
F3	S1	F4	93.713

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

using model chemistry: wB97X-D/3-21G*

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	0.836
2	S	-0.256
3	F	-0.290
4	F	-0.290

	x	y	z	Total
	1.389	0.507	0.000	1.479
CHELPG
AIM
ESP

	x	y	z
x	5.461	-2.151	0.000
y	-2.151	4.257	0.000
z	0.000	0.000	3.294

<r²>	110.231
(<r²>)^1/2	10.499

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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