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	hartrees
Energy at 0K	-993.021263
Energy at 298.15K	-993.022454
HF Energy	-993.021263
Nuclear repulsion energy	236.865202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	783	768	276.54
2	A'	716	703	20.85
3	A'	372	365	6.69
4	A'	297	291	6.41
5	A"	736	722	118.99
6	A"	242	237	0.38

Atom	x (Å)	y (Å)	z (Å)
S1	0.539	0.141	0.000
S2	-1.146	0.983	0.000
F3	0.539	-1.000	1.171
F4	0.539	-1.000	-1.171

	S1	S2	F3	F4
S1		1.8840	1.6345	1.6345
S2	1.8840		2.8535	2.8535
F3	1.6345	2.8535		2.3411
F4	1.6345	2.8535	2.3411

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.177		S2	S1	F4	108.177
F3	S1	F4	91.477

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

using model chemistry: SVWN/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	0.692
2	S	-0.153
3	F	-0.269
4	F	-0.269

	x	y	z	Total
	0.858	0.627	0.000	1.063
CHELPG
AIM
ESP

	x	y	z
x	6.361	-2.290	0.000
y	-2.290	4.989	0.000
z	0.000	0.000	3.865

<r²>	111.368
(<r²>)^1/2	10.553

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

using model chemistry: SVWN/6-31G*

States and conformations

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