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	hartrees
Energy at 0K	-6944.598159
Energy at 298.15K	-6944.595732
HF Energy	-6944.598159
Nuclear repulsion energy	164.126435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2336	2067	0.20
2	Σ	514	455	2.04
3	Π	348	308	3.31
3	Π	348	308	3.31

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.521
C2	0.000	0.000	-1.478
N3	0.000	0.000	-2.677

	I1	C2	N3
I1		1.9986	3.1978
C2	1.9986		1.1992
N3	3.1978	1.1992

Number	Element	Mulliken
1	I	0.255
2	C	-0.093
3	N	-0.161

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

using model chemistry: B3PW91/STO-3G

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>	101.670
(<r²>)^1/2	10.083