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	hartrees
Energy at 0K	-1695.520255
Energy at 298.15K	-1695.520799
Nuclear repulsion energy	331.129544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	675	551	11.08
2	A	641	524	12.58
3	A	214	175	0.05
4	A	78	64	2.22
5	B	660	539	38.19
6	B	265	216	9.15

Atom	x (Å)	y (Å)	z (Å)
S1	0.513	0.889	0.754
S2	-0.513	-0.889	0.754
Cl3	-0.513	1.968	-0.710
Cl4	0.513	-1.968	-0.710

	S1	S2	Cl3	Cl4
S1		2.0522	2.0883	3.2102
S2	2.0522		3.2102	2.0883
Cl3	2.0883	3.2102		4.0684
Cl4	3.2102	2.0883	4.0684

Number	Element	Mulliken
1	S	0.243
2	S	0.243
3	Cl	-0.243
4	Cl	-0.243

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

using model chemistry: HF/STO-3G

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	2.710	2.710
CHELPG
AIM
ESP

	x	y	z
x	2.158	-0.826	0.000
y	-0.826	6.782	0.000
z	0.000	0.000	3.377

<r²>	239.611
(<r²>)^1/2	15.479