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	hartrees
Energy at 0K	-167.615900
Energy at 298.15K	-167.615812
HF Energy	-167.152064
Nuclear repulsion energy	51.530078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	1946	1946	65.52
2	Σ	1273	1273	7.63
3	Π	574	574	13.71
3	Π	502	502	33.86

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.279
C2	0.000	0.000	-0.038
O3	0.000	0.000	1.148

	N1	C2	O3
N1		1.2415	2.4273
C2	1.2415		1.1859
O3	2.4273	1.1859

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

using model chemistry: CCSD=FULL/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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