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	hartrees
Energy at 0K	-167.549634
Energy at 298.15K	-167.549590
HF Energy	-167.127571
Nuclear repulsion energy	51.976274

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2262	2105	422.25
2	Σ	1358	1264	6.79
3	Π	587	546	20.79
3	Π	551	512	53.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.251
C2	0.000	0.000	-0.063
O3	0.000	0.000	1.142

	N1	C2	O3
N1		1.1884	2.3927
C2	1.1884		1.2043
O3	2.3927	1.2043

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

using model chemistry: MP3/6-31+G**

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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