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	hartrees
Energy at 0K	-68.529149
Energy at 298.15K	-68.529654
Nuclear repulsion energy	54.581819

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	641	624	37.39
2	A	467	455	1.37
3	A	202	197	0.91
4	A	139	135	5.02
5	B	630	614	105.09
6	B	232	226	11.71

Atom	x (Å)	y (Å)	z (Å)
S1	-0.467	0.960	-0.448
S2	0.467	-0.960	-0.448
F3	0.467	1.878	0.796
F4	-0.467	-1.878	0.796

	S1	S2	F3	F4
S1		2.1352	1.8058	3.0988
S2	2.1352		3.0988	1.8058
F3	1.8058	3.0988		3.8706
F4	3.0988	1.8058	3.8706

Number	Element	Mulliken
1	S	0.378
2	S	0.378
3	F	-0.378
4	F	-0.378

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: B3LYP/CEP-121G

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	-2.821	2.821
CHELPG
AIM
ESP

	x	y	z
x	4.029	-0.793	0.000
y	-0.793	9.282	0.000
z	0.000	0.000	4.204

<r²>	99.883
(<r²>)^1/2	9.994