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	hartrees
Energy at 0K	-6979.834212
Energy at 298.15K	-6979.831984
HF Energy	-6979.607958
Nuclear repulsion energy	162.045521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2310	2174	0.23
2	Σ	502	473	3.79
3	Π	391	368	1.02
3	Π	391	368	1.02

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.528
C2	0.000	0.000	-1.524
N3	0.000	0.000	-2.691

	I1	C2	N3
I1		2.0519	3.2190
C2	2.0519		1.1671
N3	3.2190	1.1671

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

using model chemistry: CISD/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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