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	hartrees
Energy at 0K	-167.839360
Energy at 298.15K	-167.839215
HF Energy	-167.839360
Nuclear repulsion energy	51.280760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1976	1965	43.15
2	Σ	1247	1239	9.91
3	Π	549	546	8.39
3	Π	457	454	28.95

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.284
C2	0.000	0.000	-0.042
O3	0.000	0.000	1.155

	N1	C2	O3
N1		1.2417	2.4383
C2	1.2417		1.1965
O3	2.4383	1.1965

Number	Element	Mulliken
1	N	-0.146
2	C	0.201
3	O	-0.055

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

using model chemistry: PBEPBE/cc-pVDZ

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>	32.489
(<r²>)^1/2	5.700