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	hartrees
Energy at 0K	-167.965860
Energy at 298.15K	-167.965756
HF Energy	-167.965860
Nuclear repulsion energy	51.817476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1977	1951	60.91
2	Σ	1256	1239	9.81
3	Π	575	567	10.39
3	Π	484	478	34.08

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.271
C2	0.000	0.000	-0.041
O3	0.000	0.000	1.142

	N1	C2	O3
N1		1.2301	2.4132
C2	1.2301		1.1831
O3	2.4132	1.1831

Number	Element	Mulliken
1	N	-0.722
2	C	1.172
3	O	-0.450

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

using model chemistry: B97D3/6-311+G(3df,2p)

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>	32.314
(<r²>)^1/2	5.685