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	hartrees
Energy at 0K	-167.590321
Energy at 298.15K
HF Energy	-167.128968
Nuclear repulsion energy	51.272362

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.283
C2	0.000	0.000	-0.044
O3	0.000	0.000	1.155

	N1	C2	O3
N1		1.2389	2.4380
C2	1.2389		1.1991
O3	2.4380	1.1991

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

using model chemistry: QCISD(TQ)/6-31+G**

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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