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	hartrees
Energy at 0K	-166.165898
Energy at 298.15K	-166.165867
HF Energy	-166.165898
Nuclear repulsion energy	52.374628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2192	1991	326.10
2	Σ	1321	1200	0.38
3	Π	583	529	31.18
3	Π	582	529	66.82

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.261
C2	0.000	0.000	-0.032
O3	0.000	0.000	1.128

	N1	C2	O3
N1		1.2290	2.3895
C2	1.2290		1.1604
O3	2.3895	1.1604

Number	Element	Mulliken
1	N	-0.407
2	C	0.892
3	O	-0.485

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

using model chemistry: ROHF/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>	32.209
(<r²>)^1/2	5.675