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	hartrees
Energy at 0K	-26.914153
Energy at 298.15K	-26.911756
HF Energy	-26.914153
Nuclear repulsion energy	21.923590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2174	2105	10.93
2	Σ	475	460	0.52
3	Π	324	314	0.50
3	Π	324	314	0.50

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.526
C2	0.000	0.000	-1.501
N3	0.000	0.000	-2.695

	I1	C2	N3
I1		2.0268	3.2209
C2	2.0268		1.1942
N3	3.2209	1.1942

Number	Element	Mulliken
1	I	0.340
2	C	-0.647
3	N	0.306

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

using model chemistry: B3LYP/CEP-31G

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>	68.199
(<r²>)^1/2	8.258