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	hartrees
Energy at 0K	-167.902203
Energy at 298.15K	-167.902041
HF Energy	-167.902203
Nuclear repulsion energy	51.364233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1979	1979	43.28
2	Σ	1255	1255	8.73
3	Π	535	535	11.06
3	Π	453	453	33.70

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.281
C2	0.000	0.000	-0.043
O3	0.000	0.000	1.153

	N1	C2	O3
N1		1.2386	2.4341
C2	1.2386		1.1956
O3	2.4341	1.1956

Number	Element	Mulliken
1	N	-0.326
2	C	0.616
3	O	-0.290

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

using model chemistry: B97D3/6-31G**

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>	32.437
(<r²>)^1/2	5.695