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	hartrees
Energy at 0K	-167.734635
Energy at 298.15K	-167.734576
HF Energy	-167.192383
Nuclear repulsion energy	52.071654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1973	1886	69.16
2	Σ	1298	1240	6.96
3	Π	597	570	13.90
3	Π	520	497	35.45

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.266
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.136

	N1	C2	O3
N1		1.2271	2.4019
C2	1.2271		1.1748
O3	2.4019	1.1748

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

using model chemistry: CCSD/aug-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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