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	hartrees
Energy at 0K	-1716.671711
Energy at 298.15K	-1716.671775
Nuclear repulsion energy	307.923631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	456	432	2.52
2	A	410	388	23.09
3	A	164	155	0.17
4	A	79	75	0.58
5	B	410	388	66.41
6	B	192	182	4.29

Atom	x (Å)	y (Å)	z (Å)
S1	0.500	0.937	0.798
S2	-0.500	-0.937	0.798
Cl3	-0.500	2.213	-0.751
Cl4	0.500	-2.213	-0.751

	S1	S2	Cl3	Cl4
S1		2.1241	2.2416	3.5100
S2	2.1241		3.5100	2.2416
Cl3	2.2416	3.5100		4.5366
Cl4	3.5100	2.2416	4.5366

Number	Element	Mulliken
1	S	0.141
2	S	0.141
3	Cl	-0.141
4	Cl	-0.141

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

using model chemistry: mPW1PW91/6-31G

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	Total
	0.000	0.000	1.635	1.635
CHELPG
AIM
ESP

	x	y	z
x	5.133	-1.093	0.000
y	-1.093	15.444	0.000
z	0.000	0.000	7.387

<r²>	283.663
(<r²>)^1/2	16.842