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	hartrees
Energy at 0K	-996.070511
Energy at 298.15K
HF Energy	-996.070511
Nuclear repulsion energy	235.536105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	754	754	256.26
2	A'	707	707	72.84
3	A'	379	379	8.47
4	A'	307	307	7.62
5	A"	685	685	136.45
6	A"	256	256	0.20

Atom	x (Å)	y (Å)	z (Å)
S1	0.536	0.142	0.000
S2	-1.139	0.988	0.000
F3	0.536	-1.005	1.192
F4	0.536	-1.005	-1.192

	S1	S2	F3	F4
S1		1.8762	1.6544	1.6544
S2	1.8762		2.8633	2.8633
F3	1.6544	2.8633		2.3832
F4	1.6544	2.8633	2.3832

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.227		S2	S1	F4	108.227
F3	S1	F4	92.153

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

using model chemistry: B3LYP/cc-pV(D+d)Z

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	0.745
2	S	-0.165
3	F	-0.290
4	F	-0.290

	x	y	z	Total
	0.654	1.181	0.000	1.350
CHELPG
AIM
ESP

	x	y	z
x	5.845	-2.204	0.000
y	-2.204	4.756	0.000
z	0.000	0.000	3.734

<r²>	112.242
(<r²>)^1/2	10.594

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

using model chemistry: B3LYP/cc-pV(D+d)Z

States and conformations

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