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	hartrees
Energy at 0K	-167.046775
Energy at 298.15K	-167.046596
HF Energy	-167.046775
Nuclear repulsion energy	50.611158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1802	1790	5.57
2	Σ	1178	1171	7.21
3	Π	504	500	4.01
3	Π	470	467	22.03

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.295
C2	0.000	0.000	-0.053
O3	0.000	0.000	1.173

	N1	C2	O3
N1		1.2428	2.4685
C2	1.2428		1.2258
O3	2.4685	1.2258

Number	Element	Mulliken
1	N	-0.303
2	C	0.618
3	O	-0.315

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

using model chemistry: BLYP/3-21G*

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>	33.175
(<r²>)^1/2	5.760