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	hartrees
Energy at 0K	-167.551912
Energy at 298.15K	-167.551862
HF Energy	-167.127402
Nuclear repulsion energy	51.920920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2255	2134	427.62
2	Σ	1350	1278	6.08
3	Π	587	555	20.85
4	Π	551	522	53.60

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.253
C2	0.000	0.000	-0.063
O3	0.000	0.000	1.144

	N1	C2	O3
N1		1.1901	2.3975
C2	1.1901		1.2074
O3	2.3975	1.2074

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

using model chemistry: CCD/6-31G*

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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