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	hartrees
Energy at 0K	-113.190573
Energy at 298.15K	-113.189321
HF Energy	-112.781325
Nuclear repulsion energy	22.494221

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.645
O2	0.000	0.000	0.484

	C1	O2
C1		1.1289
O2	1.1289

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

using model chemistry: QCISD(TQ)=FULL/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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