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	hartrees
Energy at 0K	-113.156540
Energy at 298.15K	-113.155286
HF Energy	-113.156540
Nuclear repulsion energy	21.539764

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.674
O2	0.000	0.000	0.505

	C1	O2
C1		1.1792
O2	1.1792

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	0.062
2	O	-0.062

	x	y	z	Total
	0.000	0.000	0.102	0.102
CHELPG
AIM
ESP

All results from a given calculation for CO (Carbon monoxide)

using model chemistry: PBEPBEultrafine/SDD

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>	11.645
(<r²>)^1/2	3.413