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	hartrees
Energy at 0K	-167.565583
Energy at 298.15K	-167.565566
HF Energy	-167.130573
Nuclear repulsion energy	51.748040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2504	2351	1223.70
2	Σ	1306	1227	1.03
3	Π	609	572	17.79
3	Π	577	542	64.55

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.280
C2	0.000	0.000	-0.026
O3	0.000	0.000	1.140

	N1	C2	O3
N1		1.2542	2.4203
C2	1.2542		1.1660
O3	2.4203	1.1660

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

using model chemistry: MP2=FULL/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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