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	hartrees
Energy at 0K	-389.905552
Energy at 298.15K	-389.903220
HF Energy	-388.982058
Nuclear repulsion energy	88.756476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2296	2296	1.34
2	Σ	516	516	1.80
3	Π	336	336	1.44
3	Π	336	336	1.44

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		1.9840	3.1389
C2	1.9840		1.1549
N3	3.1389	1.1549

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

using model chemistry: CCSD=FULL/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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