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	hartrees
Energy at 0K	-1716.960183
Energy at 298.15K	-1716.960416
HF Energy	-1716.960183
Nuclear repulsion energy	325.339634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	562	553	11.34
2	A	393	387	34.95
3	A	200	197	1.06
4	A	92	91	0.10
5	B	376	370	146.25
6	B	224	221	8.85

Atom	x (Å)	y (Å)	z (Å)
S1	0.446	0.862	0.750
S2	-0.446	-0.862	0.750
Cl3	-0.446	2.150	-0.705
Cl4	0.446	-2.150	-0.705

	S1	S2	Cl3	Cl4
S1		1.9412	2.1377	3.3450
S2	1.9412		3.3450	2.1377
Cl3	2.1377	3.3450		4.3910
Cl4	3.3450	2.1377	4.3910

Number	Element	Mulliken
1	S	0.203
2	S	0.203
3	Cl	-0.203
4	Cl	-0.203

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

using model chemistry: B97D3/aug-cc-pVTZ

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	1.292	1.292
CHELPG
AIM
ESP

	x	y	z
x	8.641	-0.958	0.000
y	-0.958	17.942	0.000
z	0.000	0.000	10.331

<r²>	260.568
(<r²>)^1/2	16.142