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	hartrees
Energy at 0K	-68.633817
Energy at 298.15K	-68.634654
Nuclear repulsion energy	58.195556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	703	679	83.84
2	A	574	554	1.64
3	A	269	259	0.86
4	A	174	168	3.48
5	B	674	651	215.05
6	B	298	288	13.49

Atom	x (Å)	y (Å)	z (Å)
S1	-0.404	0.891	-0.411
S2	0.404	-0.891	-0.411
F3	0.404	1.823	0.731
F4	-0.404	-1.823	0.731

	S1	S2	F3	F4
S1		1.9577	1.6817	2.9456
S2	1.9577		2.9456	1.6817
F3	1.6817	2.9456		3.7354
F4	2.9456	1.6817	3.7354

Number	Element	Mulliken
1	S	0.284
2	S	0.284
3	F	-0.284
4	F	-0.284

All results from a given calculation for FSSF (Difluorodisulfane)

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.000	0.000	-1.888	1.888
CHELPG
AIM
ESP

	x	y	z
x	3.574	-0.913	0.000
y	-0.913	8.276	0.000
z	0.000	0.000	3.614

<r²>	91.332
(<r²>)^1/2	9.557