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	hartrees
Energy at 0K	-6982.941140
Energy at 298.15K	-6982.938885
HF Energy	-6982.941140
Nuclear repulsion energy	163.339870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2264	2178	4.55
2	Σ	492	474	0.25
3	Π	383	368	0.10
3	Π	383	368	0.10

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.524
C2	0.000	0.000	-1.506
N3	0.000	0.000	-2.674

	I1	C2	N3
I1		2.0294	3.1977
C2	2.0294		1.1683
N3	3.1977	1.1683

Number	Element	Mulliken
1	I	0.286
2	C	0.123
3	N	-0.409

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

using model chemistry: B3LYP/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>	103.680
(<r²>)^1/2	10.182