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	hartrees
Energy at 0K	-167.660307
Energy at 298.15K	-167.660258
HF Energy	-167.145338
Nuclear repulsion energy	51.950956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2021	1915	50.45
2	Σ	1297	1229	5.72
3	Π	606	574	16.53
3	Π	531	503	38.45

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.269
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.139

	N1	C2	O3
N1		1.2299	2.4074
C2	1.2299		1.1776
O3	2.4074	1.1776

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

using model chemistry: QCISD/6-31G(2df,p)

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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