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	hartrees
Energy at 0K	-6983.688312
Energy at 298.15K
HF Energy	-6983.688312
Nuclear repulsion energy	164.557650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2297	2197	5.53
2	Σ	511	489	0.30
3	Π	392	375	0.10
3	Π	392	375	0.10

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.520
C2	0.000	0.000	-1.492
N3	0.000	0.000	-2.656

	I1	C2	N3
I1		2.0113	3.1762
C2	2.0113		1.1648
N3	3.1762	1.1648

Number	Element	Mulliken
1	I	0.293
2	C	0.122
3	N	-0.415

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

using model chemistry: B1B95/3-21G

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>	102.479
(<r²>)^1/2	10.123