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	hartrees
Energy at 0K	-7012.426643
Energy at 298.15K
HF Energy	-7012.426643
Nuclear repulsion energy	165.510097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2287	2202	12.27
2	Σ	507	488	0.32
3	Π	329	316	1.24
3	Π	329	316	1.24

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.517
C2	0.000	0.000	-1.484
N3	0.000	0.000	-2.641

	I1	C2	N3
I1		2.0003	3.1575
C2	2.0003		1.1571
N3	3.1575	1.1571

Number	Element	Mulliken
1	I	0.285
2	C	-0.047
3	N	-0.238

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

using model chemistry: B3PW91/6-311G*

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>	101.745
(<r²>)^1/2	10.087