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	hartrees
Energy at 0K	-167.591991
Energy at 298.15K	-167.591881
HF Energy	-167.125213
Nuclear repulsion energy	51.357307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1934	1934
2	Σ	1262	1262
3	Π	533	533
3	Π	525	525

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.280
C2	0.000	0.000	-0.044
O3	0.000	0.000	1.153

	N1	C2	O3
N1		1.2361	2.4338
C2	1.2361		1.1977
O3	2.4338	1.1977

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

using model chemistry: QCISD(TQ)=FULL/6-31G*

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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