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	hartrees
Energy at 0K	-995.867184
Energy at 298.15K	-995.867552
Nuclear repulsion energy	205.690169

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	609	604	23.21
2	A	434	431	1.20
3	A	194	193	0.81
4	A	133	132	3.30
5	B	600	595	101.93
6	B	210	208	6.74

Atom	x (Å)	y (Å)	z (Å)
S1	-0.453	0.972	-0.442
S2	0.453	-0.972	-0.442
F3	0.453	1.958	0.786
F4	-0.453	-1.958	0.786

	S1	S2	F3	F4
S1		2.1449	1.8167	3.1767
S2	2.1449		3.1767	1.8167
F3	1.8167	3.1767		4.0193
F4	3.1767	1.8167	4.0193

Number	Element	Mulliken
1	S	0.315
2	S	0.315
3	F	-0.315
4	F	-0.315

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: BLYP/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	-2.159	2.159
CHELPG
AIM
ESP

	x	y	z
x	3.554	-0.910	0.000
y	-0.910	9.588	0.000
z	0.000	0.000	3.697

<r²>	149.795
(<r²>)^1/2	12.239