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	hartrees
Energy at 0K	-389.815862
Energy at 298.15K	-389.813503
HF Energy	-388.978107
Nuclear repulsion energy	88.598134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2093	1992	0.03
2	Σ	524	499	0.26
3	Π	322	306	1.00
3	Π	322	306	1.00

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.513
C2	0.000	0.000	-1.458
N3	0.000	0.000	-2.634

	I1	C2	N3
I1		1.9713	3.1470
C2	1.9713		1.1757
N3	3.1470	1.1757

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

using model chemistry: MP2/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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