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	hartrees
Energy at 0K	-167.754901
Energy at 298.15K	-167.754811
HF Energy	-167.188270
Nuclear repulsion energy	51.835437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1989	1897
2	Σ	1262	1203
3	Π	578	551
3	Π	499	476

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.271
C2	0.000	0.000	-0.038
O3	0.000	0.000	1.141

	N1	C2	O3
N1		1.2333	2.4127
C2	1.2333		1.1793
O3	2.4127	1.1793

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

using model chemistry: QCISD(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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