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	hartrees
Energy at 0K	-167.961685
Energy at 298.15K	-167.961618
HF Energy	-167.773266
Nuclear repulsion energy	52.061754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2041	1951	104.72
2	Σ	1281	1224	8.69
3	Π	590	564	13.86
3	Π	515	492	39.24

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.266
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.137

	N1	C2	O3
N1		1.2270	2.4023
C2	1.2270		1.1753
O3	2.4023	1.1753

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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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