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	hartrees
Energy at 0K	-166.444560
Energy at 298.15K	-166.444498
HF Energy	-166.182847
Nuclear repulsion energy	51.760501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1610	1498	1.74
2	Σ	1379	1283	0.07
3	Π	561	522	17.27
3	Π	558	519	38.73

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.267
C2	0.000	0.000	-0.051
O3	0.000	0.000	1.147

	N1	C2	O3
N1		1.2155	2.4137
C2	1.2155		1.1982
O3	2.4137	1.1982

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

using model chemistry: CID/3-21G*

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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