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	hartrees
Energy at 0K	-6979.831014
Energy at 298.15K	-6979.828791
HF Energy	-6979.608203
Nuclear repulsion energy	162.208907

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2325	2166	0.21
2	Σ	505	470	4.02
3	Π	392	366	1.08
3	Π	392	366	1.08

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.527
C2	0.000	0.000	-1.523
N3	0.000	0.000	-2.688

	I1	C2	N3
I1		2.0502	3.2155
C2	2.0502		1.1653
N3	3.2155	1.1653

All results from a given calculation for ICN (Cyanogen iodide)

using model chemistry: CID/3-21G

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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