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	hartrees
Energy at 0K	-317.583766
Energy at 298.15K	-317.583773
HF Energy	-317.583766
Nuclear repulsion energy	33.228869

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.631
O2	0.000	0.000	-1.025

	Al1	O2
Al1		1.6562
O2	1.6562

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.472
2	O	-0.472

	x	y	z	Total
	0.000	0.000	3.885	3.885
CHELPG
AIM
ESP

All results from a given calculation for AlO (Aluminum monoxide)

using model chemistry: mPW1PW91/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>	24.097
(<r²>)^1/2	4.909