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	hartrees
Energy at 0K	-387.574890
Energy at 298.15K
HF Energy	-386.980531
Nuclear repulsion energy	88.760027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2390	2390	4.39
2	Σ	523	523	2.47
3	Π	344	344	1.36
3	Π	344	344	1.36

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.514
C2	0.000	0.000	-1.477
N3	0.000	0.000	-2.624

	I1	C2	N3
I1		1.9905	3.1379
C2	1.9905		1.1474
N3	3.1379	1.1474

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

using model chemistry: MP3=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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