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	hartrees
Energy at 0K	-68.628895
Energy at 298.15K	-68.630017
HF Energy	-68.628895
Nuclear repulsion energy	62.738522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	725	700	267.07
2	A'	686	662	95.97
3	A'	369	357	9.41
4	A'	302	291	7.59
5	A"	651	628	156.92
6	A"	246	237	0.09

Atom	x (Å)	y (Å)	z (Å)
S1	0.545	0.145	0.000
S2	-1.159	1.000	0.000
F3	0.545	-1.019	1.199
F4	0.545	-1.019	-1.199

	S1	S2	F3	F4
S1		1.9066	1.6706	1.6706
S2	1.9066		2.9011	2.9011
F3	1.6706	2.9011		2.3970
F4	1.6706	2.9011	2.3970

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.207		S2	S1	F4	108.207
F3	S1	F4	91.682

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

using model chemistry: B3LYP/CEP-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	0.569
2	S	-0.091
3	F	-0.239
4	F	-0.239

	x	y	z	Total
	0.598	1.363	0.000	1.488
CHELPG
AIM
ESP

	x	y	z
x	6.502	-2.589	0.000
y	-2.589	5.078	0.000
z	0.000	0.000	3.860

<r²>	76.247
(<r²>)^1/2	8.732

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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