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	hartrees
Energy at 0K	-167.620136
Energy at 298.15K	-167.620119
HF Energy	-167.170744
Nuclear repulsion energy	52.279324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2238	2137	427.17
2	Σ	1340	1280	6.05
3	Π	617	589	19.04
3	Π	566	541	51.33

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.265
C2	0.000	0.000	-0.031
O3	0.000	0.000	1.130

	N1	C2	O3
N1		1.2335	2.3942
C2	1.2335		1.1607
O3	2.3942	1.1607

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

using model chemistry: CCD/6-311G*

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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