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	hartrees
Energy at 0K	-387.580967
Energy at 298.15K
HF Energy	-386.979781
Nuclear repulsion energy	88.426309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2306	2306	0.91
2	Σ	514	514	1.95
3	Π	339	339	1.38
3	Π	339	339	1.38

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.516
C2	0.000	0.000	-1.480
N3	0.000	0.000	-2.635

	I1	C2	N3
I1		1.9956	3.1500
C2	1.9956		1.1544
N3	3.1500	1.1544

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

using model chemistry: CCSD=FULL/cc-pVTZ-PP

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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