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	hartrees
Energy at 0K	-996.092997
Energy at 298.15K	-996.093644
Nuclear repulsion energy	219.662481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	586	585	58.29
2	A	560	559	1.68
3	A	257	256	1.97
4	A	161	161	3.30
5	B	560	559	191.07
6	B	271	270	13.57

Atom	x (Å)	y (Å)	z (Å)
S1	-0.404	0.883	-0.417
S2	0.404	-0.883	-0.417
F3	0.404	1.884	0.742
F4	-0.404	-1.884	0.742

	S1	S2	F3	F4
S1		1.9426	1.7318	3.0000
S2	1.9426		3.0000	1.7318
F3	1.7318	3.0000		3.8533
F4	3.0000	1.7318	3.8533

Number	Element	Mulliken
1	S	0.326
2	S	0.326
3	F	-0.326
4	F	-0.326

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: BLYP/6-311G*

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	-2.127	2.127
CHELPG
AIM
ESP

	x	y	z
x	3.760	-0.918	0.000
y	-0.918	8.854	0.000
z	0.000	0.000	3.825

<r²>	135.351
(<r²>)^1/2	11.634