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	hartrees
Energy at 0K	-167.863686
Energy at 298.15K
HF Energy	-167.203843
Nuclear repulsion energy	52.359647

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.259
C2	0.000	0.000	-0.038
O3	0.000	0.000	1.130

	N1	C2	O3
N1		1.2206	2.3887
C2	1.2206		1.1681
O3	2.3887	1.1681

All results from a given calculation for NCO (isocyanato radical)

using model chemistry: CCSD=FULL/aug-cc-pVQZ

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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