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	hartrees
Energy at 0K	-167.665018
Energy at 298.15K	-167.665031
HF Energy	-167.191809
Nuclear repulsion energy	52.649096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2237	2073	374.13
2	Σ	1364	1264	4.70
3	Π	643	596	23.00
3	Π	581	539	53.10

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.255
C2	0.000	0.000	-0.031
O3	0.000	0.000	1.122

	N1	C2	O3
N1		1.2241	2.3773
C2	1.2241		1.1531
O3	2.3773	1.1531

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

using model chemistry: CID/cc-pVTZ

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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