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	hartrees
Energy at 0K	-167.822944
Energy at 298.15K	-167.822877
HF Energy	-167.189019
Nuclear repulsion energy	51.997308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2013	2013
2	Σ	1280	1280
3	Π	593	593
3	Π	515	515

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.268
C2	0.000	0.000	-0.038
O3	0.000	0.000	1.137

	N1	C2	O3
N1		1.2302	2.4053
C2	1.2302		1.1750
O3	2.4053	1.1750

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

using model chemistry: CCSD(T)=FULL/6-311+G(3df,2p)

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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