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	hartrees
Energy at 0K	-167.670515
Energy at 298.15K	-167.670515
HF Energy	-167.191698
Nuclear repulsion energy	52.558962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2164	2012	235.49
2	Σ	1357	1262	5.88
3	Π	635	591	21.55
3	Π	568	528	49.19

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.000	-1.256
C2	0.000	0.000	-0.034
O3	0.000	0.000	1.124

	N1	C2	O3
N1		1.2227	2.3807
C2	1.2227		1.1580
O3	2.3807	1.1580

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

using model chemistry: CISD/cc-pVTZ

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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