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	hartrees
Energy at 0K	-414.129905
Energy at 298.15K	-414.129995
HF Energy	-414.129905
Nuclear repulsion energy	39.796029

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	-1.041
P2	0.000	0.000	0.555

	O1	P2
O1		1.5957
P2	1.5957

Number	Element	Mulliken	CHELPG	AIM	ESP
1	O	-0.419
2	P	0.419

	x	y	z	Total
	0.000	0.000	1.443	1.443
CHELPG
AIM
ESP

All results from a given calculation for PO (Phosphorus monoxide)

using model chemistry: PBEPBEultrafine/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>	24.600
(<r²>)^1/2	4.960