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	hartrees
Energy at 0K	-995.905825
Energy at 298.15K	-995.906775
HF Energy	-995.905825
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	771	732	70.32
2	A	592	562	0.26
3	A	278	264	0.40
4	A	181	172	3.28
5	B	742	704	179.75
6	B	313	297	12.67

Atom	x (Å)	y (Å)	z (Å)
S1	-0.403	0.888	-0.399
S2	0.403	-0.888	-0.399
F3	0.403	1.772	0.709
F4	-0.403	-1.772	0.709

	S1	S2	F3	F4
S1		1.9498	1.6318	2.8817
S2	1.9498		2.8817	1.6318
F3	1.6318	2.8817		3.6354
F4	2.8817	1.6318	3.6354

Number	Element	Mulliken
1	S	0.351
2	S	0.351
3	F	-0.351
4	F	-0.351

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: wB97X-D/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	-1.494	1.494
CHELPG
AIM
ESP

	x	y	z
x	3.652	-0.777	0.000
y	-0.777	7.545	0.000
z	0.000	0.000	3.656

<r²>	125.826
(<r²>)^1/2	11.217