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	hartrees
Energy at 0K	-1716.803987
Energy at 298.15K	-1716.804027
Nuclear repulsion energy	307.617595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	457	436	3.06
2	A	401	383	23.42
3	A	162	155	0.21
4	A	79	75	0.57
5	B	402	383	68.90
6	B	189	180	4.33

Atom	x (Å)	y (Å)	z (Å)
S1	0.498	0.934	0.796
S2	-0.498	-0.934	0.796
Cl3	-0.498	2.223	-0.749
Cl4	0.498	-2.223	-0.749

	S1	S2	Cl3	Cl4
S1		2.1167	2.2462	3.5150
S2	2.1167		3.5150	2.2462
Cl3	2.2462	3.5150		4.5573
Cl4	3.5150	2.2462	4.5573

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: B1B95/6-31G

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	1.660	1.660
CHELPG
AIM
ESP

	x	y	z
x	5.105	-1.119	0.000
y	-1.119	15.682	0.000
z	0.000	0.000	7.356

<r²>	284.733
(<r²>)^1/2	16.874