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	hartrees
Energy at 0K	-6943.852989
Energy at 298.15K	-6943.850528
HF Energy	-6943.787477
Nuclear repulsion energy	163.027800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2215	2215	2.48
2	Σ	508	508	1.52
3	Π	334	334	3.36
3	Π	334	334	3.36

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.524
C2	0.000	0.000	-1.487
N3	0.000	0.000	-2.696

	I1	C2	N3
I1		2.0109	3.2202
C2	2.0109		1.2093
N3	3.2202	1.2093

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

using model chemistry: B2PLYP=FULL/STO-3G

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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