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	hartrees
Energy at 0K	-996.078228
Energy at 298.15K	-996.079473
HF Energy	-996.078228
Nuclear repulsion energy	235.728906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	774	744	277.10
2	A'	730	702	60.23
3	A'	381	366	9.16
4	A'	308	296	8.97
5	A"	713	685	138.78
6	A"	255	245	0.23

Atom	x (Å)	y (Å)	z (Å)
S1	0.539	0.149	0.000
S2	-1.146	0.978	0.000
F3	0.539	-1.002	1.186
F4	0.539	-1.002	-1.186

	S1	S2	F3	F4
S1		1.8781	1.6530	1.6530
S2	1.8781		2.8581	2.8581
F3	1.6530	2.8581		2.3713
F4	1.6530	2.8581	2.3713

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.907		S2	S1	F4	107.907
F3	S1	F4	91.662

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

using model chemistry: B1B95/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	0.758
2	S	-0.169
3	F	-0.295
4	F	-0.295

	x	y	z	Total
	0.738	1.235	0.000	1.439
CHELPG
AIM
ESP

	x	y	z
x	5.878	-2.196	0.000
y	-2.196	4.721	0.000
z	0.000	0.000	3.719

<r²>	111.986
(<r²>)^1/2	10.582

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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