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	hartrees
Energy at 0K	-6979.857048
Energy at 298.15K	-6979.854776
HF Energy	-6979.606179
Nuclear repulsion energy	161.046095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2212	2144	1.70
2	Σ	484	469	1.75
3	Π	376	364	0.86
3	Π	376	364	0.86

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.531
C2	0.000	0.000	-1.532
N3	0.000	0.000	-2.709

	I1	C2	N3
I1		2.0627	3.2402
C2	2.0627		1.1775
N3	3.2402	1.1775

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

using model chemistry: QCISD/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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