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	hartrees
Energy at 0K	-113.204300
Energy at 298.15K	-113.203047
HF Energy	-113.204300
Nuclear repulsion energy	22.180265

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.654
O2	0.000	0.000	0.491

	C1	O2
C1		1.1452
O2	1.1452

Number	Element	Mulliken	CHELPG	AIM	ESP
1	C	0.123
2	O	-0.123

	x	y	z	Total
	0.000	0.000	0.182	0.182
CHELPG
AIM
ESP

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

using model chemistry: PBEPBEultrafine/daug-cc-pVDZ

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>	11.408
(<r²>)^1/2	3.378