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	hartrees
Energy at 0K	-30.817766
Energy at 298.15K	-30.817761
HF Energy	-30.817766
Nuclear repulsion energy	26.258317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1893	1710	27.60
2	Σ	1372	1240	1.31
3	Π	645	582	28.74
3	Π	562	508	51.93

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.256
C2	0.000	0.000	-0.038
O3	0.000	0.000	1.127

	N1	C2	O3
N1		1.2181	2.3826
C2	1.2181		1.1644
O3	2.3826	1.1644

Number	Element	Mulliken
1	N	-0.138
2	C	0.332
3	O	-0.194

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

using model chemistry: HF/CEP-121G*

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>	26.150
(<r²>)^1/2	5.114