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	hartrees
Energy at 0K	-1716.957393
Energy at 298.15K	-1716.957630
HF Energy	-1716.957393
Nuclear repulsion energy	325.411941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	561	553	11.11
2	A	395	389	36.56
3	A	200	197	1.09
4	A	92	91	0.13
5	B	378	373	148.37
6	B	225	222	8.81

Atom	x (Å)	y (Å)	z (Å)
S1	0.446	0.863	0.749
S2	-0.446	-0.863	0.749
Cl3	-0.446	2.148	-0.705
Cl4	0.446	-2.148	-0.705

	S1	S2	Cl3	Cl4
S1		1.9427	2.1364	3.3442
S2	1.9427		3.3442	2.1364
Cl3	2.1364	3.3442		4.3882
Cl4	3.3442	2.1364	4.3882

Number	Element	Mulliken
1	S	0.148
2	S	0.148
3	Cl	-0.148
4	Cl	-0.148

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

using model chemistry: B97D3/cc-pVTZ

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	1.309	1.309
CHELPG
AIM
ESP

	x	y	z
x	6.644	-0.873	0.000
y	-0.873	16.065	0.000
z	0.000	0.000	8.434

<r²>	260.190
(<r²>)^1/2	16.130