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	hartrees
Energy at 0K	-6982.156057
Energy at 298.15K	-6982.153819
HF Energy	-6982.156057
Nuclear repulsion energy	162.225822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2172	2153	9.17
2	Σ	485	480	0.01
3	Π	393	389	0.22
3	Π	393	389	0.22

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.527
C2	0.000	0.000	-1.512
N3	0.000	0.000	-2.695

	I1	C2	N3
I1		2.0396	3.2223
C2	2.0396		1.1827
N3	3.2223	1.1827

Number	Element	Mulliken
1	I	0.478
2	C	-0.107
3	N	-0.371

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

using model chemistry: PBEPBEultrafine/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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<r²>	104.815
(<r²>)^1/2	10.238