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	hartrees
Energy at 0K	-387.562657
Energy at 298.15K
HF Energy	-386.975445
Nuclear repulsion energy	87.693055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2067	2067
2	Σ	504	504
3	Π	310	310
3	Π	310	310

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.519
C2	0.000	0.000	-1.481
N3	0.000	0.000	-2.659

	I1	C2	N3
I1		1.9998	3.1779
C2	1.9998		1.1782
N3	3.1779	1.1782

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

using model chemistry: MP4/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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