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	hartrees
Energy at 0K	-996.104002
Energy at 298.15K	-996.104848
HF Energy	-996.104002
Nuclear repulsion energy	224.893413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	649	639	87.49
2	A	613	603	0.39
3	A	280	276	1.60
4	A	174	171	1.37
5	B	612	603	242.25
6	B	299	295	12.57

Atom	x (Å)	y (Å)	z (Å)
S1	-0.391	0.870	-0.412
S2	0.391	-0.870	-0.412
F3	0.391	1.829	0.733
F4	-0.391	-1.829	0.733

	S1	S2	F3	F4
S1		1.9064	1.6861	2.9317
S2	1.9064		2.9317	1.6861
F3	1.6861	2.9317		3.7405
F4	2.9317	1.6861	3.7405

Number	Element	Mulliken
1	S	0.441
2	S	0.441
3	F	-0.441
4	F	-0.441

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: B97D3/aug-cc-pVTZ

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	-1.632	1.632
CHELPG
AIM
ESP

	x	y	z
x	5.565	-0.512	0.000
y	-0.512	9.558	0.000
z	0.000	0.000	5.794

<r²>	129.506
(<r²>)^1/2	11.380