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	hartrees
Energy at 0K	-112.555064
Energy at 298.15K
HF Energy	-112.478471
Nuclear repulsion energy	21.878560

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

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

using model chemistry: B2PLYP=FULLultrafine/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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