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	hartrees
Energy at 0K	-167.925014
Energy at 298.15K
HF Energy	-167.754957
Nuclear repulsion energy	51.997378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2047	2047	103.70
2	Σ	1281	1281	9.10
3	Π	585	585	13.82
3	Π	511	511	40.49

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.267
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.138

	N1	C2	O3
N1		1.2288	2.4053
C2	1.2288		1.1765
O3	2.4053	1.1765

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

using model chemistry: B2PLYP=FULLultrafine/6-311G**

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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