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	hartrees
Energy at 0K	-113.180200
Energy at 298.15K	-113.178948
HF Energy	-112.778834
Nuclear repulsion energy	22.411171

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.648
O2	0.000	0.000	0.486

	C1	O2
C1		1.1334
O2	1.1334

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

using model chemistry: MP2=FULL/6-311+G(3df,2pd)

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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