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	hartrees
Energy at 0K	-1716.758923
Energy at 298.15K	-1716.759192
Nuclear repulsion energy	324.878922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	529	508	8.42
2	A	426	409	38.93
3	A	199	191	0.51
4	A	96	93	0.35
5	B	414	397	122.03
6	B	231	222	8.42

Atom	x (Å)	y (Å)	z (Å)
S1	0.625	0.769	0.747
S2	-0.625	-0.769	0.747
Cl3	0.000	2.188	-0.703
Cl4	0.000	-2.188	-0.703

	S1	S2	Cl3	Cl4
S1		1.9814	2.1220	3.3515
S2	1.9814		3.3515	2.1220
Cl3	2.1220	3.3515		4.3750
Cl4	3.3515	2.1220	4.3750

Number	Element	Mulliken
1	S	0.149
2	S	0.149
3	Cl	-0.149
4	Cl	-0.149

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

using model chemistry: B3LYP/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
x	5.444	1.089	0.000
y	1.089	14.186	0.000
z	0.000	0.000	7.171

<r²>	260.889
(<r²>)^1/2	16.152