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	hartrees
Energy at 0K	-6983.341957
Energy at 298.15K	-6983.339729
HF Energy	-6983.341957
Nuclear repulsion energy	164.300154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2288	2173	6.20
2	Σ	510	484	0.25
3	Π	390	370	0.10
3	Π	390	370	0.10

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.521
C2	0.000	0.000	-1.494
N3	0.000	0.000	-2.661

	I1	C2	N3
I1		2.0144	3.1812
C2	2.0144		1.1668
N3	3.1812	1.1668

Number	Element	Mulliken
1	I	0.298
2	C	0.127
3	N	-0.425

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

using model chemistry: mPW1PW91/3-21G*

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>	102.780
(<r²>)^1/2	10.138