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	hartrees
Energy at 0K	-167.924165
Energy at 298.15K	-167.920390
HF Energy	-168.001164
Nuclear repulsion energy	51.739545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1998	1919	51.83
2	Σ	1300	1248	8.13
3	Π	553	531	14.59
3	Π	481	462	37.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.272
C2	0.000	0.000	-0.042
O3	0.000	0.000	1.145

	N1	C2	O3
N1		1.2298	2.4165
C2	1.2298		1.1867
O3	2.4165	1.1867

Number	Element	Mulliken
1	N	-0.336
2	C	0.638
3	O	-0.302

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

using model chemistry: G3B3

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>	32.186
(<r²>)^1/2	5.673