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	hartrees
Energy at 0K	-167.899382
Energy at 298.15K	-167.899251
HF Energy	-167.899382
Nuclear repulsion energy	50.977144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1846	1846	41.59
2	Σ	1241	1241	10.95
3	Π	547	547	10.13
3	Π	486	486	32.54

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.288
C2	0.000	0.000	-0.048
O3	0.000	0.000	1.163

	N1	C2	O3
N1		1.2406	2.4516
C2	1.2406		1.2110
O3	2.4516	1.2110

Number	Element	Mulliken
1	N	-0.099
2	C	0.220
3	O	-0.122

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

using model chemistry: wB97X-D/LANL2DZ

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>	33.245
(<r²>)^1/2	5.766