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	hartrees
Energy at 0K	-167.101603
Energy at 298.15K	-167.101456
HF Energy	-167.101603
Nuclear repulsion energy	51.660423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2051	2020	55.10
2	Σ	1285	1266	10.63
3	Π	548	540	9.57
3	Π	456	449	35.20

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.273
C2	0.000	0.000	-0.043
O3	0.000	0.000	1.147

	N1	C2	O3
N1		1.2299	2.4200
C2	1.2299		1.1901
O3	2.4200	1.1901

Number	Element	Mulliken
1	N	-0.241
2	C	0.545
3	O	-0.304

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

using model chemistry: LSDA/6-31+G**

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>	32.568
(<r²>)^1/2	5.707