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	hartrees
Energy at 0K	-390.370037
Energy at 298.15K	-390.367674
HF Energy	-390.063800
Nuclear repulsion energy	88.486025

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2202	2202	3.13
2	Σ	506	506	0.63
3	Π	326	326	1.05
3	Π	326	326	1.05

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.515
C2	0.000	0.000	-1.473
N3	0.000	0.000	-2.634

	I1	C2	N3
I1		1.9875	3.1488
C2	1.9875		1.1613
N3	3.1488	1.1613

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

using model chemistry: B2PLYP=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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