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	hartrees
Energy at 0K	-167.581344
Energy at 298.15K	-167.581178
HF Energy	-167.124935
Nuclear repulsion energy	51.304625

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1927	1927
2	Σ	1258	1258
3	Π	523	523
3	Π	463	463

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.282
C2	0.000	0.000	-0.044
O3	0.000	0.000	1.155

	N1	C2	O3
N1		1.2376	2.4364
C2	1.2376		1.1988
O3	2.4364	1.1988

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

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

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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