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	hartrees
Energy at 0K	-7011.764612
Energy at 298.15K
HF Energy	-7011.444610
Nuclear repulsion energy	164.668987

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2201	2201	2.12
2	Σ	499	499	0.48
3	Π	318	318	1.33
3	Π	318	318	1.33

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.519
C2	0.000	0.000	-1.490
N3	0.000	0.000	-2.655

	I1	C2	N3
I1		2.0095	3.1744
C2	2.0095		1.1649
N3	3.1744	1.1649

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

using model chemistry: B2PLYP=FULL/6-311G*

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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