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	hartrees
Energy at 0K	-995.510635
Energy at 298.15K	-995.511923
HF Energy	-995.510635
Nuclear repulsion energy	237.782796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	795	756	307.75
2	A'	736	700	32.91
3	A'	399	379	8.43
4	A'	321	305	9.27
5	A"	754	717	131.94
6	A"	259	246	0.51

Atom	x (Å)	y (Å)	z (Å)
S1	0.538	0.139	0.000
S2	-1.142	0.980	0.000
F3	0.538	-0.995	1.166
F4	0.538	-0.995	-1.166

	S1	S2	F3	F4
S1		1.8785	1.6268	1.6268
S2	1.8785		2.8427	2.8427
F3	1.6268	2.8427		2.3329
F4	1.6268	2.8427	2.3329

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.168		S2	S1	F4	108.168
F3	S1	F4	91.617

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

using model chemistry: PBE1PBE/6-31G*

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	0.833
2	S	-0.199
3	F	-0.317
4	F	-0.317

	x	y	z	Total
	1.085	0.622	0.000	1.251
CHELPG
AIM
ESP

	x	y	z
x	6.228	-2.238	0.000
y	-2.238	4.854	0.000
z	0.000	0.000	3.786

<r²>	110.830
(<r²>)^1/2	10.528

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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