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	hartrees
Energy at 0K	-920.445474
Energy at 298.15K
HF Energy	-920.445474
Nuclear repulsion energy	75.955320

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	1.007
Cl2	0.000	0.000	-1.007

	Cl1	Cl2
Cl1		2.0135
Cl2	2.0135

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Cl	0.000
2	Cl	0.000

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for Cl₂ (Chlorine diatomic)

using model chemistry: B3LYP/aug-cc-pCVTZ

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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<r²>	49.728
(<r²>)^1/2	7.052

All results from a given calculation for Cl2 (Chlorine diatomic)

using model chemistry: B3LYP/aug-cc-pCVTZ

States and conformations

All results from a given calculation for Cl₂ (Chlorine diatomic)