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	hartrees
Energy at 0K	-167.950721
Energy at 298.15K	-167.947031
HF Energy	-168.014412
Nuclear repulsion energy	51.992866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2009	1938	54.60
2	Σ	1303	1258	7.75
3	Π	606	585	16.32
3	Π	526	508	37.53

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.266
C2	0.000	0.000	-0.041
O3	0.000	0.000	1.139

	N1	C2	O3
N1		1.2259	2.4050
C2	1.2259		1.1791
O3	2.4050	1.1791

Number	Element	Mulliken
1	N	-0.370
2	C	0.558
3	O	-0.187

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

using model chemistry: G4

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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<r²>	31.915
(<r²>)^1/2	5.649