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	hartrees
Energy at 0K	-1716.550517
Energy at 298.15K	-1716.550865
Nuclear repulsion energy	327.973835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	546	524	9.41
2	A	446	427	40.44
3	A	205	196	0.38
4	A	99	95	0.35
5	B	433	415	127.82
6	B	238	228	8.41

Atom	x (Å)	y (Å)	z (Å)
S1	0.618	0.766	0.739
S2	-0.618	-0.766	0.739
Cl3	0.000	2.167	-0.695
Cl4	0.000	-2.167	-0.695

	S1	S2	Cl3	Cl4
S1		1.9693	2.0974	3.3226
S2	1.9693		3.3226	2.0974
Cl3	2.0974	3.3226		4.3331
Cl4	3.3226	2.0974	4.3331

Number	Element	Mulliken
1	S	0.143
2	S	0.143
3	Cl	-0.143
4	Cl	-0.143

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

using model chemistry: B3PW91/6-31G**

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	5.410	1.085	0.000
y	1.085	13.825	0.000
z	0.000	0.000	7.056

<r²>	256.554
(<r²>)^1/2	16.017