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	hartrees
Energy at 0K	-167.665325
Energy at 298.15K	-167.665223
HF Energy	-167.181452
Nuclear repulsion energy	51.798149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	1958	1884
2	Σ	1278	1230
3	Π	561	540
3	Π	495	477

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.271
C2	0.000	0.000	-0.040
O3	0.000	0.000	1.143

	N1	C2	O3
N1		1.2310	2.4139
C2	1.2310		1.1829
O3	2.4139	1.1829

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

using model chemistry: CCSD(T)/TZVP

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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