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	hartrees
Energy at 0K	-167.664169
Energy at 298.15K	-167.664198
HF Energy	-167.145898
Nuclear repulsion energy	52.196429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2484	2335	880.11
2	Σ	1306	1227	4.11
3	Π	655	615	18.97
3	Π	610	573	57.24

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.269
C2	0.000	0.000	-0.026
O3	0.000	0.000	1.130

	N1	C2	O3
N1		1.2426	2.3993
C2	1.2426		1.1567
O3	2.3993	1.1567

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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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