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	hartrees
Energy at 0K	-104.142394
Energy at 298.15K	-104.140042
HF Energy	-104.142394
Nuclear repulsion energy	38.099591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2256	2256	8.52
2	Σ	491	491	1.38
3	Π	339	339	0.23
3	Π	339	339	0.23

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.520
C2	0.000	0.000	-1.486
N3	0.000	0.000	-2.664

	I1	C2	N3
I1		2.0061	3.1836
C2	2.0061		1.1774
N3	3.1836	1.1774

Number	Element	Mulliken
1	I	0.341
2	C	-0.360
3	N	0.019

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

using model chemistry: wB97X-D/LANL2DZ

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>	85.655
(<r²>)^1/2	9.255