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	hartrees
Energy at 0K	-219.820695
Energy at 298.15K	-219.821110
Nuclear repulsion energy	70.246938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	648	623	30.97
2	A	410	394	0.72
3	A	197	189	0.26
4	A	133	128	5.31
5	B	634	610	97.03
6	B	231	222	8.92

Atom	x (Å)	y (Å)	z (Å)
S1	-0.471	0.982	-0.441
S2	0.471	-0.982	-0.441
F3	0.471	1.873	0.785
F4	-0.471	-1.873	0.785

	S1	S2	F3	F4
S1		2.1786	1.7850	3.1074
S2	2.1786		3.1074	1.7850
F3	1.7850	3.1074		3.8637
F4	3.1074	1.7850	3.8637

Number	Element	Mulliken
1	S	0.385
2	S	0.385
3	F	-0.385
4	F	-0.385

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: B3LYP/LANL2DZ

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	-2.714	2.714
CHELPG
AIM
ESP

	x	y	z
x	3.155	-1.030	0.000
y	-1.030	8.870	0.000
z	0.000	0.000	3.157

<r²>	117.378
(<r²>)^1/2	10.834