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	hartrees
Energy at 0K	-167.752639
Energy at 298.15K	-167.752538
HF Energy	-167.188855
Nuclear repulsion energy	51.746959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1977	1875
2	Σ	1257	1193
3	Π	568	539
3	Π	492	466

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.273
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.144

	N1	C2	O3
N1		1.2340	2.4171
C2	1.2340		1.1831
O3	2.4171	1.1831

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

using model chemistry: QCISD(T)/cc-pVTZ

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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