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	hartrees
Energy at 0K	-682.435524
Energy at 298.15K	-682.436208
HF Energy	-682.435524
Nuclear repulsion energy	62.862385

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.947
P2	0.000	0.000	-0.947

	P1	P2
P1		1.8941
P2	1.8941

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: PBE1PBE/TZVP

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>	43.051
(<r²>)^1/2	6.561

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

using model chemistry: PBE1PBE/TZVP

States and conformations

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