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	hartrees
Energy at 0K	-996.001697
Energy at 298.15K	-996.002573
Nuclear repulsion energy	225.073238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	738	707	63.54
2	A	577	553	0.21
3	A	269	257	0.63
4	A	177	169	2.96
5	B	709	680	178.02
6	B	297	285	11.42

Atom	x (Å)	y (Å)	z (Å)
S1	-0.401	0.886	-0.406
S2	0.401	-0.886	-0.406
F3	0.401	1.809	0.721
F4	-0.401	-1.809	0.721

	S1	S2	F3	F4
S1		1.9446	1.6626	2.9211
S2	1.9446		2.9211	1.6626
F3	1.6626	2.9211		3.7057
F4	2.9211	1.6626	3.7057

Number	Element	Mulliken
1	S	0.344
2	S	0.344
3	F	-0.344
4	F	-0.344

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: B3LYPultrafine/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.000	0.000	-1.524	1.524
CHELPG
AIM
ESP

	x	y	z
x	3.686	-0.808	0.000
y	-0.808	7.898	0.000
z	0.000	0.000	3.699

<r²>	128.736
(<r²>)^1/2	11.346