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	hartrees
Energy at 0K	-167.636129
Energy at 298.15K	-167.636019
HF Energy	-167.150731
Nuclear repulsion energy	51.270262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1945	1889
2	Σ	1245	1209
3	Π	562	546
3	Π	485	471

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.286
C2	0.000	0.000	-0.037
O3	0.000	0.000	1.153

	N1	C2	O3
N1		1.2486	2.4395
C2	1.2486		1.1909
O3	2.4395	1.1909

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

using model chemistry: CCSD(T)=FULL/aug-cc-pVDZ

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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