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	hartrees
Energy at 0K	-49.099338
Energy at 298.15K	-49.099591
Nuclear repulsion energy	47.997135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	506	456	13.62
2	A	470	423	6.22
3	A	171	154	0.07
4	A	73	66	0.81
5	B	488	440	40.83
6	B	215	193	4.80

Atom	x (Å)	y (Å)	z (Å)
S1	0.722	0.807	0.796
S2	-0.722	-0.807	0.796
Cl3	0.000	2.178	-0.749
Cl4	0.000	-2.178	-0.749

	S1	S2	Cl3	Cl4
S1		2.1658	2.1876	3.4380
S2	2.1658		3.4380	2.1876
Cl3	2.1876	3.4380		4.3562
Cl4	3.4380	2.1876	4.3562

Number	Element	Mulliken
1	S	0.166
2	S	0.166
3	Cl	-0.166
4	Cl	-0.166

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

using model chemistry: HF/CEP-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
x	4.764	0.921	0.000
y	0.921	13.817	0.000
z	0.000	0.000	7.271

<r²>	0.000
(<r²>)^1/2	0.000