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	hartrees
Energy at 0K	-167.093677
Energy at 298.15K	-167.093524
HF Energy	-167.093677
Nuclear repulsion energy	51.654180

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2062	2023	40.12
2	Σ	1291	1267	9.12
3	Π	543	533	10.82
3	Π	453	445	34.24

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.273
C2	0.000	0.000	-0.044
O3	0.000	0.000	1.147

	N1	C2	O3
N1		1.2297	2.4202
C2	1.2297		1.1905
O3	2.4202	1.1905

Number	Element	Mulliken
1	N	-0.308
2	C	0.565
3	O	-0.257

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

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

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>	32.216
(<r²>)^1/2	5.676