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	hartrees
Energy at 0K	-416.565030
Energy at 298.15K	-416.565135
HF Energy	-416.565030
Nuclear repulsion energy	41.920114

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	-0.988
P2	0.000	0.000	0.527

	O1	P2
O1		1.5148
P2	1.5148

Number	Element	Mulliken	CHELPG	AIM	ESP
1	O	-0.549
2	P	0.549

	x	y	z	Total
	0.000	0.000	2.087	2.087
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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>	23.450
(<r²>)^1/2	4.843