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	hartrees
Energy at 0K	-167.764080
Energy at 298.15K	-167.763982
HF Energy	-167.190905
Nuclear repulsion energy	51.736910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1968	1902
2	Σ	1254	1213
3	Π	571	552
3	Π	493	476

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.274
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.144

	N1	C2	O3
N1		1.2348	2.4176
C2	1.2348		1.1829
O3	2.4176	1.1829

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

using model chemistry: QCISD(T)/aug-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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