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	hartrees
Energy at 0K	-995.508623
Energy at 298.15K	-995.509583
HF Energy	-995.508623
Nuclear repulsion energy	227.463223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	773	735	68.81
2	A	611	581	0.09
3	A	278	264	0.56
4	A	183	174	3.02
5	B	743	706	185.47
6	B	309	294	12.06

Atom	x (Å)	y (Å)	z (Å)
S1	-0.397	0.876	-0.403
S2	0.397	-0.876	-0.403
F3	0.397	1.788	0.716
F4	-0.397	-1.788	0.716

	S1	S2	F3	F4
S1		1.9230	1.6467	2.8885
S2	1.9230		2.8885	1.6467
F3	1.6467	2.8885		3.6622
F4	2.8885	1.6467	3.6622

Number	Element	Mulliken
1	S	0.346
2	S	0.346
3	F	-0.346
4	F	-0.346

All results from a given calculation for FSSF (Difluorodisulfane)

using model chemistry: PBE1PBE/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	-1.426	1.426
CHELPG
AIM
ESP

	x	y	z
x	3.660	-0.796	0.000
y	-0.796	7.713	0.000
z	0.000	0.000	3.663

<r²>	126.349
(<r²>)^1/2	11.240