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	hartrees
Energy at 0K	-7012.371364
Energy at 298.15K
HF Energy	-7012.371364
Nuclear repulsion energy	164.778989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2280	2203	9.93
2	Σ	494	478	0.53
3	Π	325	314	1.28
3	Π	325	314	1.28

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.519
C2	0.000	0.000	-1.494
N3	0.000	0.000	-2.650

	I1	C2	N3
I1		2.0126	3.1691
C2	2.0126		1.1565
N3	3.1691	1.1565

Number	Element	Mulliken
1	I	0.279
2	C	-0.072
3	N	-0.207

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

using model chemistry: B3LYPultrafine/6-311G*

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>	102.562
(<r²>)^1/2	10.127