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	hartrees
Energy at 0K	-993.204705
Energy at 298.15K	-993.205650
Nuclear repulsion energy	228.212778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	713	706	82.67
2	A	647	640	0.19
3	A	284	281	1.23
4	A	178	176	1.63
5	B	676	669	237.50
6	B	303	300	10.85

Atom	x (Å)	y (Å)	z (Å)
S1	-0.386	0.864	-0.403
S2	0.386	-0.864	-0.403
F3	0.386	1.802	0.716
F4	-0.386	-1.802	0.716

	S1	S2	F3	F4
S1		1.8926	1.6514	2.8910
S2	1.8926		2.8910	1.6514
F3	1.6514	2.8910		3.6852
F4	2.8910	1.6514	3.6852

Number	Element	Mulliken
1	S	0.241
2	S	0.241
3	F	-0.241
4	F	-0.241

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: LSDA/cc-pVTZ

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	-1.439	1.439
CHELPG
AIM
ESP

	x	y	z
x	4.332	-0.768	0.000
y	-0.768	8.449	0.000
z	0.000	0.000	4.397

<r²>	126.297
(<r²>)^1/2	11.238