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	hartrees
Energy at 0K	-167.616338
Energy at 298.15K	-167.616337
HF Energy	-167.169551
Nuclear repulsion energy	52.065976

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2482	2359	981.77
2	Σ	1302	1237	1.77
3	Π	627	596	17.97
3	Π	581	552	61.05

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.273
C2	0.000	0.000	-0.025
O3	0.000	0.000	1.133

	N1	C2	O3
N1		1.2479	2.4058
C2	1.2479		1.1578
O3	2.4058	1.1578

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

using model chemistry: MP2/6-311G**

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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