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	hartrees
Energy at 0K	-113.306451
Energy at 298.15K	-113.305199
HF Energy	-113.306451
Nuclear repulsion energy	22.565074

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.644
O2	0.000	0.000	0.483

	C1	O2
C1		1.1278
O2	1.1278

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	0.099
2	O	-0.099

	x	y	z	Total
	0.000	0.000	0.123	0.123
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/aug-cc-pVTZ

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>	11.150
(<r²>)^1/2	3.339