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	hartrees
Energy at 0K	-993.914606
Energy at 298.15K	-993.915665
Nuclear repulsion energy	229.842384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	826	747	97.28
2	A	577	522	0.01
3	A	293	265	0.05
4	A	185	168	5.57
5	B	801	724	175.45
6	B	349	315	20.69

Atom	x (Å)	y (Å)	z (Å)
S1	-0.413	0.887	-0.403
S2	0.413	-0.887	-0.403
F3	0.413	1.705	0.717
F4	-0.413	-1.705	0.717

	S1	S2	F3	F4
S1		1.9570	1.6138	2.8239
S2	1.9570		2.8239	1.6138
F3	1.6138	2.8239		3.5091
F4	2.8239	1.6138	3.5091

Number	Element	Mulliken
1	S	0.410
2	S	0.410
3	F	-0.410
4	F	-0.410

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: HF/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	-2.092	2.092
CHELPG
AIM
ESP

	x	y	z
x	3.426	-0.713	0.000
y	-0.713	6.537	0.000
z	0.000	0.000	3.395

<r²>	123.259
(<r²>)^1/2	11.102