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	hartrees
Energy at 0K	-416.601648
Energy at 298.15K	-416.601758
HF Energy	-416.601648
Nuclear repulsion energy	42.699662

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	-0.970
P2	0.000	0.000	0.517

	O1	P2
O1		1.4872
P2	1.4872

Number	Element	Mulliken	CHELPG	AIM	ESP
1	O	-0.343
2	P	0.343

	x	y	z	Total
	0.000	0.000	2.055	2.055
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/cc-pVTZ

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>	22.745
(<r²>)^1/2	4.769