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	hartrees
Energy at 0K	-919.934571
Energy at 298.15K	-919.934465
HF Energy	-919.901142
Nuclear repulsion energy	69.156206

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.000	0.000	1.106
Cl2	0.000	0.000	-1.106

	Cl1	Cl2
Cl1		2.2114
Cl2	2.2114

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: B2PLYP/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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<r²>	57.108
(<r²>)^1/2	7.557

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

using model chemistry: B2PLYP/6-31G

States and conformations

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