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	hartrees
Energy at 0K	-167.764676
Energy at 298.15K	-167.764624
HF Energy	-167.190837
Nuclear repulsion energy	52.236907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2000	1896	60.13
2	Σ	1314	1246	6.80
3	Π	601	569	15.43
3	Π	524	497	37.74

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.261
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.133

	N1	C2	O3
N1		1.2220	2.3941
C2	1.2220		1.1721
O3	2.3941	1.1721

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

using model chemistry: CCSD=FULL/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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