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	hartrees
Energy at 0K	-113.315710
Energy at 298.15K
HF Energy	-113.315710
Nuclear repulsion energy	22.608815

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.642
O2	0.000	0.000	0.481

	C1	O2
C1		1.1235
O2	1.1235

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	0.001
2	O	-0.001

	x	y	z	Total
	0.000	0.000	0.134	0.134
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/cc-pCVQZ

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>	11.094
(<r²>)^1/2	3.331