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	hartrees
Energy at 0K	-167.762359
Energy at 298.15K	-167.762271
HF Energy	-167.191148
Nuclear repulsion energy	51.784412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1975	1915
2	Σ	1266	1228
3	Π	576	559
3	Π	500	485

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.273
C2	0.000	0.000	-0.038
O3	0.000	0.000	1.142

	N1	C2	O3
N1		1.2344	2.4150
C2	1.2344		1.1806
O3	2.4150	1.1806

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

using model chemistry: CCSD(T)/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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