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	hartrees
Energy at 0K	-167.798533
Energy at 298.15K	-167.798438
HF Energy	-167.201766
Nuclear repulsion energy	51.947083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1941	1941
2	Σ	1270	1270
3	Π	575	575
3	Π	495	495

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.268
C2	0.000	0.000	-0.040
O3	0.000	0.000	1.139

	N1	C2	O3
N1		1.2275	2.4070
C2	1.2275		1.1795
O3	2.4070	1.1795

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

using model chemistry: QCISD(TQ)/cc-pVQZ

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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