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	hartrees
Energy at 0K	-21.557731
Energy at 298.15K	-21.556478
HF Energy	-21.557731
Nuclear repulsion energy	10.756821

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.675
O2	0.000	0.000	0.506

	C1	O2
C1		1.1807
O2	1.1807

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	-0.019
2	O	0.019

	x	y	z	Total
	0.000	0.000	0.040	0.040
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/CEP-121G

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>	10.271
(<r²>)^1/2	3.205