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	hartrees
Energy at 0K	-390.332956
Energy at 298.15K	-390.330586
HF Energy	-390.063737
Nuclear repulsion energy	88.412432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2199	2199	3.03
2	Σ	504	504	0.62
3	Π	323	323	1.05
3	Π	323	323	1.05

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.515
C2	0.000	0.000	-1.474
N3	0.000	0.000	-2.636

	I1	C2	N3
I1		1.9894	3.1514
C2	1.9894		1.1620
N3	3.1514	1.1620

Number	Element	Mulliken
1	I	0.263
2	C	-0.201
3	N	-0.061

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

using model chemistry: B2PLYP/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>	93.251
(<r²>)^1/2	9.657