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	hartrees
Energy at 0K	-388.243252
Energy at 298.15K
HF Energy	-388.061386
Nuclear repulsion energy	88.105797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2199	2199	2.25
2	Σ	505	505	0.63
3	Π	321	321	0.95
3	Π	321	321	0.95

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.517
C2	0.000	0.000	-1.482
N3	0.000	0.000	-2.645

	I1	C2	N3
I1		1.9994	3.1619
C2	1.9994		1.1626
N3	3.1619	1.1626

Number	Element	Mulliken
1	I	0.228
2	C	-0.192
3	N	-0.036

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

using model chemistry: B2PLYP/cc-pVTZ-PP

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>	93.831
(<r²>)^1/2	9.687