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	hartrees
Energy at 0K	-390.660654
Energy at 298.15K	-390.658305
HF Energy	-390.660654
Nuclear repulsion energy	88.741832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2284	2284	12.14
2	Σ	507	507	0.52
3	Π	331	331	1.02
3	Π	331	331	1.02

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.513
C2	0.000	0.000	-1.471
N3	0.000	0.000	-2.626

	I1	C2	N3
I1		1.9848	3.1393
C2	1.9848		1.1545
N3	3.1393	1.1545

Number	Element	Mulliken
1	I	0.236
2	C	-0.196
3	N	-0.040

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

using model chemistry: B3PW91/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>	92.540
(<r²>)^1/2	9.620