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	hartrees
Energy at 0K	-995.531045
Energy at 298.15K
HF Energy	-995.531045
Nuclear repulsion energy	223.567529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	683	683	59.43
2	A	621	621	2.73
3	A	275	275	1.29
4	A	170	170	2.30
5	B	645	645	197.49
6	B	286	286	10.82

Atom	x (Å)	y (Å)	z (Å)
S1	-0.389	0.871	-0.406
S2	0.389	-0.871	-0.406
F3	0.389	1.869	0.722
F4	-0.389	-1.869	0.722

	S1	S2	F3	F4
S1		1.9080	1.6950	2.9634
S2	1.9080		2.9634	1.6950
F3	1.6950	2.9634		3.8185
F4	2.9634	1.6950	3.8185

Number	Element	Mulliken
1	S	0.284
2	S	0.284
3	F	-0.284
4	F	-0.284

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: PBEPBE/cc-pV(D+d)Z

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	-1.622	1.622
CHELPG
AIM
ESP

	x	y	z
x	3.461	-0.731	0.000
y	-0.731	8.116	0.000
z	0.000	0.000	3.587

<r²>	131.403
(<r²>)^1/2	11.463