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	hartrees
Energy at 0K	-12.992440
Energy at 298.15K	-12.993083
HF Energy	-12.992440
Nuclear repulsion energy	6.599092

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	1.002
P2	0.000	0.000	-1.002

	P1	P2
P1		2.0047
P2	2.0047

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

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for P₂ (Phosphorus diatomic)

using model chemistry: B3LYP/CEP-121G

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>	25.742
(<r²>)^1/2	5.074

All results from a given calculation for P2 (Phosphorus diatomic)

using model chemistry: B3LYP/CEP-121G

States and conformations

All results from a given calculation for P₂ (Phosphorus diatomic)