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	hartrees
Energy at 0K	-167.519405
Energy at 298.15K	-167.519353
HF Energy	-167.127963
Nuclear repulsion energy	52.061980

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2137	1978	176.24
2	Σ	1364	1263	6.91
3	Π	593	549	22.05
3	Π	542	501	50.53

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.267
C2	0.000	0.000	-0.036
O3	0.000	0.000	1.136

	N1	C2	O3
N1		1.2310	2.4029
C2	1.2310		1.1719
O3	2.4029	1.1719

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

using model chemistry: CISD/6-31G*

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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