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	hartrees
Energy at 0K	-167.841970
Energy at 298.15K	-167.841697
HF Energy	-167.841970
Nuclear repulsion energy	50.597952

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1840	1840	18.88
2	Σ	1185	1185	9.66
3	Π	458	458	5.53
3	Π	403	403	27.33

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.297
C2	0.000	0.000	-0.050
O3	0.000	0.000	1.172

	N1	C2	O3
N1		1.2477	2.4697
C2	1.2477		1.2220
O3	2.4697	1.2220

Number	Element	Mulliken
1	N	-0.166
2	C	0.417
3	O	-0.251

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>	33.390
(<r²>)^1/2	5.778