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	hartrees
Energy at 0K	-166.464219
Energy at 298.15K	-166.464226
HF Energy	-166.179859
Nuclear repulsion energy	51.730115

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1825	1742	32.32
2	Σ	1394	1331	18.44
3	Π	629	600	22.24
3	Π	592	565	59.12

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.277
C2	0.000	0.000	-0.034
O3	0.000	0.000	1.142

	N1	C2	O3
N1		1.2431	2.4190
C2	1.2431		1.1759
O3	2.4190	1.1759

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

using model chemistry: MP2/3-21G

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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