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	hartrees
Energy at 0K	-1716.777091
Energy at 298.15K	-1716.777467
Nuclear repulsion energy	329.451703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	550	523	10.07
2	A	456	434	40.45
3	A	206	196	0.36
4	A	100	95	0.34
5	B	442	421	126.07
6	B	239	228	8.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.621	0.763	0.738
S2	-0.621	-0.763	0.738
Cl3	0.000	2.148	-0.695
Cl4	0.000	-2.148	-0.695

	S1	S2	Cl3	Cl4
S1		1.9669	2.0883	3.3037
S2	1.9669		3.3037	2.0883
Cl3	2.0883	3.3037		4.2970
Cl4	3.3037	2.0883	4.2970

Number	Element	Mulliken
1	S	0.091
2	S	0.091
3	Cl	-0.091
4	Cl	-0.091

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

using model chemistry: mPW1PW91/6-31+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
x	6.440	0.907	0.000
y	0.907	14.538	0.000
z	0.000	0.000	8.039

<r²>	253.950
(<r²>)^1/2	15.936