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	hartrees
Energy at 0K	-167.128875
Energy at 298.15K	-167.128855
HF Energy	-167.128875
Nuclear repulsion energy	52.722390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1959	1760	20.16
2	Σ	1406	1264	1.28
3	Π	630	566	33.49
3	Π	555	498	54.82

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.250
C2	0.000	0.000	-0.038
O3	0.000	0.000	1.122

	N1	C2	O3
N1		1.2125	2.3723
C2	1.2125		1.1598
O3	2.3723	1.1598

Number	Element	Mulliken
1	N	-0.383
2	C	0.727
3	O	-0.344

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

using model chemistry: HF/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>	31.628
(<r²>)^1/2	5.624