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	hartrees
Energy at 0K	-416.502195
Energy at 298.15K	-416.502304
HF Energy	-416.502195
Nuclear repulsion energy	42.587106

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	-0.972
P2	0.000	0.000	0.519

	O1	P2
O1		1.4911
P2	1.4911

Number	Element	Mulliken	CHELPG	AIM	ESP
1	O	-0.414
2	P	0.414

	x	y	z	Total
	0.000	0.000	2.022	2.022
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/6-31G*

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>	22.642
(<r²>)^1/2	4.758