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	hartrees
Energy at 0K	-1716.119610
Energy at 298.15K	-1716.119988
HF Energy	-1716.119610
Nuclear repulsion energy	330.090065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	555	527	9.48
2	A	462	439	40.30
3	A	207	197	0.26
4	A	98	93	0.34
5	B	448	426	123.31
6	B	241	229	8.05

Atom	x (Å)	y (Å)	z (Å)
S1	0.446	0.876	0.738
S2	-0.446	-0.876	0.738
Cl3	-0.446	2.096	-0.694
Cl4	0.446	-2.096	-0.694

	S1	S2	Cl3	Cl4
S1		1.9659	2.0826	3.2986
S2	1.9659		3.2986	2.0826
Cl3	2.0826	3.2986		4.2856
Cl4	3.2986	2.0826	4.2856

Number	Element	Mulliken
1	S	0.140
2	S	0.140
3	Cl	-0.140
4	Cl	-0.140

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

using model chemistry: PBE1PBE/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	1.133	1.133
CHELPG
AIM
ESP

	x	y	z
x	5.304	-0.671	0.000
y	-0.671	13.449	0.000
z	0.000	0.000	7.002

<r²>	252.933
(<r²>)^1/2	15.904