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	hartrees
Energy at 0K	-6980.019620
Energy at 298.15K	-6980.017294
HF Energy	-6979.670952
Nuclear repulsion energy	161.542719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2019	1914	5.46
2	Σ	495	469	0.05
3	Π	349	331	0.34
3	Π	349	331	0.34

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.529
C2	0.000	0.000	-1.515
N3	0.000	0.000	-2.710

	I1	C2	N3
I1		2.0441	3.2389
C2	2.0441		1.1948
N3	3.2389	1.1948

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

using model chemistry: MP2=FULL/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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