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	hartrees
Energy at 0K	-390.604567
Energy at 298.15K	-390.602230
HF Energy	-390.604567
Nuclear repulsion energy	88.731242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2328	2224	10.03
2	Σ	516	493	1.38
3	Π	334	319	1.29
3	Π	334	319	1.29

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.514
C2	0.000	0.000	-1.475
N3	0.000	0.000	-2.625

	I1	C2	N3
I1		1.9892	3.1392
C2	1.9892		1.1499
N3	3.1392	1.1499

Number	Element	Mulliken
1	I	0.280
2	C	-0.242
3	N	-0.038

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

using model chemistry: wB97X-D/Def2TZVPP

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>	92.703
(<r²>)^1/2	9.628