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	hartrees
Energy at 0K	-167.724327
Energy at 298.15K	-167.724264
HF Energy	-167.190303
Nuclear repulsion energy	52.078886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1982	1866	59.61
2	Σ	1301	1224	6.67
3	Π	593	558	15.02
3	Π	517	487	37.03

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.265
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.136

	N1	C2	O3
N1		1.2263	2.4014
C2	1.2263		1.1751
O3	2.4014	1.1751

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

using model chemistry: CCSD/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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