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	hartrees
Energy at 0K	-167.592765
Energy at 298.15K	-167.592623
HF Energy	-167.125196
Nuclear repulsion energy	51.351267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1971	1971
2	Σ	1263	1263
3	Π	538	538
3	Π	479	479

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.282
C2	0.000	0.000	-0.042
O3	0.000	0.000	1.153

	N1	C2	O3
N1		1.2399	2.4352
C2	1.2399		1.1953
O3	2.4352	1.1953

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

using model chemistry: QCISD(T)=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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