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	hartrees
Energy at 0K	-167.753204
Energy at 298.15K	-167.753124
HF Energy	-167.188615
Nuclear repulsion energy	51.905083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1997	1971
2	Σ	1273	1256
3	Π	584	576
3	Π	506	499

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.270
C2	0.000	0.000	-0.037
O3	0.000	0.000	1.140

	N1	C2	O3
N1		1.2329	2.4101
C2	1.2329		1.1772
O3	2.4101	1.1772

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

using model chemistry: CCSD(T)/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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