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	hartrees
Energy at 0K	-113.627311
Energy at 298.15K
HF Energy	-113.243796
Nuclear repulsion energy	25.797906

Atom	x (Å)	y (Å)
C1	0.060	0.795
O2	0.060	-0.488
H3	-0.843	-0.867

	C1	O2	H3
C1		1.2830	1.8915
O2	1.2830		0.9797
H3	1.8915	0.9797

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: QCISD(TQ)/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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