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	hartrees
Energy at 0K	-167.579677
Energy at 298.15K	-167.579678
HF Energy	-167.171466
Nuclear repulsion energy	52.551151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2223	2065	345.16
2	Σ	1367	1270	5.25
3	Π	635	590	22.71
3	Π	577	536	54.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.258
C2	0.000	0.000	-0.031
O3	0.000	0.000	1.124

	N1	C2	O3
N1		1.2262	2.3817
C2	1.2262		1.1555
O3	2.3817	1.1555

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

using model chemistry: CID/6-311G*

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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