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	hartrees
Energy at 0K	-167.865924
Energy at 298.15K
HF Energy	-167.715187
Nuclear repulsion energy	51.623845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2036	2036	119.42
2	Σ	1276	1276	9.50
3	Π	557	557	12.14
3	Π	493	493	39.56

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.276
C2	0.000	0.000	-0.040
O3	0.000	0.000	1.146

	N1	C2	O3
N1		1.2366	2.4225
C2	1.2366		1.1860
O3	2.4225	1.1860

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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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