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	hartrees
Energy at 0K	-996.182703
Energy at 298.15K	-996.183623
Nuclear repulsion energy	226.517776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	707	683	83.32
2	A	595	575	1.21
3	A	282	272	1.12
4	A	180	174	2.07
5	B	673	651	220.55
6	B	311	300	12.61

Atom	x (Å)	y (Å)	z (Å)
S1	-0.395	0.876	-0.408
S2	0.395	-0.876	-0.408
F3	0.395	1.795	0.725
F4	-0.395	-1.795	0.725

	S1	S2	F3	F4
S1		1.9228	1.6586	2.9019
S2	1.9228		2.9019	1.6586
F3	1.6586	2.9019		3.6767
F4	2.9019	1.6586	3.6767

Number	Element	Mulliken
1	S	0.286
2	S	0.286
3	F	-0.286
4	F	-0.286

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: B3LYP/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	-1.614	1.614
CHELPG
AIM
ESP

	x	y	z
x	4.311	-0.747	0.000
y	-0.747	8.231	0.000
z	0.000	0.000	4.380

<r²>	127.379
(<r²>)^1/2	11.286