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	hartrees
Energy at 0K	-1716.799693
Energy at 298.15K	-1716.799849
HF Energy	-1716.799693
Nuclear repulsion energy	321.288219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	554	545	15.60
2	A	372	366	37.86
3	A	196	193	1.44
4	A	90	89	0.32
5	B	356	350	149.68
6	B	219	215	10.61

Atom	x (Å)	y (Å)	z (Å)
S1	0.446	0.869	0.754
S2	-0.446	-0.869	0.754
Cl3	-0.446	2.192	-0.709
Cl4	0.446	-2.192	-0.709

	S1	S2	Cl3	Cl4
S1		1.9539	2.1655	3.3931
S2	1.9539		3.3931	2.1655
Cl3	2.1655	3.3931		4.4746
Cl4	3.3931	2.1655	4.4746

Number	Element	Mulliken
1	S	0.111
2	S	0.111
3	Cl	-0.111
4	Cl	-0.111

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

using model chemistry: B97D3/6-31+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	1.635	1.635
CHELPG
AIM
ESP

	x	y	z
x	6.687	-1.046	0.000
y	-1.046	17.056	0.000
z	0.000	0.000	8.585

<r²>	268.349
(<r²>)^1/2	16.381