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	hartrees
Energy at 0K	-995.460803
Energy at 298.15K	-995.461625
Nuclear repulsion energy	223.264244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	696	686	57.85
2	A	598	589	0.02
3	A	269	265	0.94
4	A	170	167	2.27
5	B	666	657	190.43
6	B	282	278	9.89

Atom	x (Å)	y (Å)	z (Å)
S1	-0.391	0.883	-0.405
S2	0.391	-0.883	-0.405
F3	0.391	1.864	0.719
F4	-0.391	-1.864	0.719

	S1	S2	F3	F4
S1		1.9316	1.6836	2.9678
S2	1.9316		2.9678	1.6836
F3	1.6836	2.9678		3.8082
F4	2.9678	1.6836	3.8082

Number	Element	Mulliken
1	S	0.308
2	S	0.308
3	F	-0.308
4	F	-0.308

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: PBEPBE/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	-1.367	1.367
CHELPG
AIM
ESP

	x	y	z
x	3.718	-0.809	0.000
y	-0.809	8.458	0.000
z	0.000	0.000	3.780

<r²>	131.676
(<r²>)^1/2	11.475