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	hartrees
Energy at 0K	-166.487806
Energy at 298.15K	-166.487595
HF Energy	-166.180933
Nuclear repulsion energy	50.692823

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1737	1669	0.17
2	Σ	1166	1121	4.33
3	Π	473	455	25.33
3	Π	463	445	6.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.290
C2	0.000	0.000	-0.059
O3	0.000	0.000	1.173

	N1	C2	O3
N1		1.2308	2.4635
C2	1.2308		1.2327
O3	2.4635	1.2327

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

using model chemistry: QCISD/3-21G*

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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