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	hartrees
Energy at 0K	-993.824035
Energy at 298.15K
HF Energy	-993.824035
Nuclear repulsion energy	230.196129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	884	795	88.23
2	A	611	549	0.20
3	A	293	263	0.01
4	A	185	167	4.25
5	B	860	772	166.05
6	B	348	312	16.88

Atom	x (Å)	y (Å)	z (Å)
S1	-0.411	0.886	-0.402
S2	0.411	-0.886	-0.402
F3	0.411	1.705	0.715
F4	-0.411	-1.705	0.715

	S1	S2	F3	F4
S1		1.9534	1.6109	2.8215
S2	1.9534		2.8215	1.6109
F3	1.6109	2.8215		3.5080
F4	2.8215	1.6109	3.5080

Number	Element	Mulliken
1	S	0.435
2	S	0.435
3	F	-0.435
4	F	-0.435

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: HF/6-31G*

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	-1.702	1.702
CHELPG
AIM
ESP

	x	y	z
x	3.539	-0.672	0.000
y	-0.672	6.625	0.000
z	0.000	0.000	3.513

<r²>	122.618
(<r²>)^1/2	11.073