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	hartrees
Energy at 0K	-167.795279
Energy at 298.15K	-167.795240
HF Energy	-167.190064
Nuclear repulsion energy	52.276504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2012	2012	76.88
2	Σ	1312	1312	6.70
3	Π	613	613	15.18
3	Π	535	535	37.95

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.261
C2	0.000	0.000	-0.038
O3	0.000	0.000	1.132

	N1	C2	O3
N1		1.2234	2.3926
C2	1.2234		1.1692
O3	2.3926	1.1692

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

using model chemistry: CCSD=FULL/6-311+G(3df,2p)

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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