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	hartrees
Energy at 0K	-996.055165
Energy at 298.15K	-996.056019
Nuclear repulsion energy	223.000131

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	709	688	62.25
2	A	575	558	1.12
3	A	265	257	1.06
4	A	173	168	3.03
5	B	682	661	177.40
6	B	293	284	12.00

Atom	x (Å)	y (Å)	z (Å)
S1	-0.408	0.886	-0.414
S2	0.408	-0.886	-0.414
F3	0.408	1.818	0.735
F4	-0.408	-1.818	0.735

	S1	S2	F3	F4
S1		1.9521	1.6892	2.9379
S2	1.9521		2.9379	1.6892
F3	1.6892	2.9379		3.7257
F4	2.9379	1.6892	3.7257

Number	Element	Mulliken
1	S	0.318
2	S	0.318
3	F	-0.318
4	F	-0.318

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: B3LYP/cc-pVDZ

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	-1.886	1.886
CHELPG
AIM
ESP

	x	y	z
x	3.472	-0.748	0.000
y	-0.748	7.705	0.000
z	0.000	0.000	3.564

<r²>	130.267
(<r²>)^1/2	11.413