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	hartrees
Energy at 0K	-167.773870
Energy at 298.15K	-167.773785
HF Energy	-167.203438
Nuclear repulsion energy	52.230067

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1990	1897	74.30
2	Σ	1306	1245	6.88
3	Π	556	530	26.52
3	Π	520	496	37.43

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.262
C2	0.000	0.000	-0.038
O3	0.000	0.000	1.133

	N1	C2	O3
N1		1.2239	2.3947
C2	1.2239		1.1707
O3	2.3947	1.1707

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

using model chemistry: CCSD/aug-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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