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	hartrees
Energy at 0K	-167.972763
Energy at 298.15K	-167.972699
HF Energy	-167.780764
Nuclear repulsion energy	52.069073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2034	2034	110.78
2	Σ	1279	1279	8.87
3	Π	595	595	13.68
3	Π	519	519	39.77

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.266
C2	0.000	0.000	-0.038
O3	0.000	0.000	1.136

	N1	C2	O3
N1		1.2274	2.4020
C2	1.2274		1.1747
O3	2.4020	1.1747

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

using model chemistry: B2PLYP=FULL/Def2TZVPP

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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