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	hartrees
Energy at 0K	-1716.192640
Energy at 298.15K	-1716.192999
HF Energy	-1716.192640
Nuclear repulsion energy	329.288695

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	551	526	10.52
2	A	451	431	40.80
3	A	205	196	0.39
4	A	97	93	0.32
5	B	437	417	129.09
6	B	237	227	8.16

Atom	x (Å)	y (Å)	z (Å)
S1	0.447	0.875	0.739
S2	-0.447	-0.875	0.739
Cl3	-0.447	2.104	-0.696
Cl4	0.447	-2.104	-0.696

	S1	S2	Cl3	Cl4
S1		1.9653	2.0898	3.3066
S2	1.9653		3.3066	2.0898
Cl3	2.0898	3.3066		4.3022
Cl4	3.3066	2.0898	4.3022

Number	Element	Mulliken
1	S	0.092
2	S	0.092
3	Cl	-0.092
4	Cl	-0.092

All results from a given calculation for ClSSCl (Disulfur dichloride)

using model chemistry: HSEh1PBE/6-31+G**

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	1.229	1.229
CHELPG
AIM
ESP

	x	y	z
x	6.457	-0.829	0.000
y	-0.829	14.706	0.000
z	0.000	0.000	8.089

<r²>	254.402
(<r²>)^1/2	15.950