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	hartrees
Energy at 0K	-112.554068
Energy at 298.15K	-112.552815
HF Energy	-112.478468
Nuclear repulsion energy	21.877702

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.663
O2	0.000	0.000	0.498

	C1	O2
C1		1.1610
O2	1.1610

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	0.371
2	O	-0.371

	x	y	z
x	1.009	0.000	0.000
y	0.000	1.009	0.000
z	0.000	0.000	1.748

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

using model chemistry: B2PLYP/3-21G*

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>	11.379
(<r²>)^1/2	3.373