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	hartrees
Energy at 0K	-167.555936
Energy at 298.15K	-167.555921
HF Energy	-167.126410
Nuclear repulsion energy	51.775530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2509	2344	994.50
2	Σ	1315	1229	1.49
3	Π	611	571	20.23
3	Π	579	541	63.87

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.279
C2	0.000	0.000	-0.027
O3	0.000	0.000	1.139

	N1	C2	O3
N1		1.2529	2.4189
C2	1.2529		1.1660
O3	2.4189	1.1660

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

using model chemistry: MP2=FULL/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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