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	hartrees
Energy at 0K	-166.454733
Energy at 298.15K	-166.454637
HF Energy	-166.182865
Nuclear repulsion energy	51.466081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1693	1582	0.64
2	Σ	1315	1228	0.15
3	Π	536	501	13.67
3	Π	534	499	32.92

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.272
C2	0.000	0.000	-0.055
O3	0.000	0.000	1.155

	N1	C2	O3
N1		1.2168	2.4269
C2	1.2168		1.2101
O3	2.4269	1.2101

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

using model chemistry: CISD/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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