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	hartrees
Energy at 0K	-993.137694
Energy at 298.15K	-993.138535
Nuclear repulsion energy	225.840717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	664	653	70.80
2	A	630	620	2.31
3	A	275	270	1.84
4	A	173	170	3.42
5	B	630	619	221.39
6	B	290	285	14.07

Atom	x (Å)	y (Å)	z (Å)
S1	-0.392	0.864	-0.405
S2	0.392	-0.864	-0.405
F3	0.392	1.831	0.720
F4	-0.392	-1.831	0.720

	S1	S2	F3	F4
S1		1.8968	1.6786	2.9203
S2	1.8968		2.9203	1.6786
F3	1.6786	2.9203		3.7453
F4	2.9203	1.6786	3.7453

Number	Element	Mulliken
1	S	0.317
2	S	0.317
3	F	-0.317
4	F	-0.317

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: LSDA/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	-1.916	1.916
CHELPG
AIM
ESP

	x	y	z
x	3.651	-0.925	0.000
y	-0.925	8.368	0.000
z	0.000	0.000	3.660

<r²>	129.167
(<r²>)^1/2	11.365