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	hartrees
Energy at 0K	-167.629087
Energy at 298.15K	-167.628975
HF Energy	-167.150513
Nuclear repulsion energy	51.231843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1941	1868
2	Σ	1242	1195
3	Π	561	540
3	Π	485	467

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.287
C2	0.000	0.000	-0.037
O3	0.000	0.000	1.154

	N1	C2	O3
N1		1.2497	2.4414
C2	1.2497		1.1917
O3	2.4414	1.1917

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

using model chemistry: CCSD(T)/aug-cc-pVDZ

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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