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	hartrees
Energy at 0K	-6982.129125
Energy at 298.15K	-6982.126845
HF Energy	-6982.009992
Nuclear repulsion energy	162.714347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2171	2171	0.01
2	Σ	494	494	0.21
3	Π	371	371	0.17
3	Π	371	371	0.17

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.526
C2	0.000	0.000	-1.509
N3	0.000	0.000	-2.686

	I1	C2	N3
I1		2.0345	3.2119
C2	2.0345		1.1773
N3	3.2119	1.1773

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

using model chemistry: B2PLYP=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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