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	hartrees
Energy at 0K	-679.229178
Energy at 298.15K	-679.229817
HF Energy	-679.229178
Nuclear repulsion energy	60.287408

Atom	x (Å)	y (Å)	z (Å)
P1	0.000	0.000	0.987
P2	0.000	0.000	-0.987

	P1	P2
P1		1.9750
P2	1.9750

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: TPSSh/3-21G

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>	46.154
(<r²>)^1/2	6.794

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

using model chemistry: TPSSh/3-21G

States and conformations

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