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	hartrees
Energy at 0K	-167.730066
Energy at 298.15K	-167.730008
HF Energy	-167.197764
Nuclear repulsion energy	52.111114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1979	1979	62.98
2	Σ	1302	1302	6.85
3	Π	599	599	14.83
3	Π	523	523	37.53

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.265
C2	0.000	0.000	-0.039
O3	0.000	0.000	1.135

	N1	C2	O3
N1		1.2259	2.4000
C2	1.2259		1.1741
O3	2.4000	1.1741

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

using model chemistry: CCSD/Def2TZVPP

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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