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	hartrees
Energy at 0K	-167.657350
Energy at 298.15K	-167.657307
HF Energy	-167.145649
Nuclear repulsion energy	52.031526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2011	1902	52.93
2	Σ	1309	1238	6.27
3	Π	611	577	16.99
3	Π	537	507	38.09

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.267
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.137

	N1	C2	O3
N1		1.2281	2.4037
C2	1.2281		1.1756
O3	2.4037	1.1756

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

using model chemistry: CCSD/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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