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	hartrees
Energy at 0K	-167.551912
Energy at 298.15K	-167.551866
HF Energy	-167.127403
Nuclear repulsion energy	51.921659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2255	2115	427.86
2	Σ	1350	1266	6.06
3	Π	587	550	20.85
3	Π	551	517	53.59

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.272
C2	0.000	0.000	-0.033
O3	0.000	0.000	1.138

	N1	C2	O3
N1		1.2399	2.4103
C2	1.2399		1.1704
O3	2.4103	1.1704

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

using model chemistry: CCD/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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