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	hartrees
Energy at 0K	-389.814898
Energy at 298.15K	-389.812512
HF Energy	-388.980168
Nuclear repulsion energy	88.186685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2201	2201
2	Σ	503	503
3	Π	317	317
3	Π	317	317

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.516
C2	0.000	0.000	-1.477
N3	0.000	0.000	-2.643

	I1	C2	N3
I1		1.9928	3.1595
C2	1.9928		1.1667
N3	3.1595	1.1667

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

using model chemistry: QCISD(T)/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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