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	hartrees
Energy at 0K	-167.680672
Energy at 298.15K	-167.680604
HF Energy	-167.144670
Nuclear repulsion energy	51.793531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2008	2008
2	Σ	1280	1280
3	Π	591	591
3	Π	518	518

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		1.2343	2.4151
C2	1.2343		1.1808
O3	2.4151	1.1808

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

using model chemistry: CCSD(T)/6-31G(2df,p)

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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