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	hartrees
Energy at 0K	-389.824743
Energy at 298.15K	-389.822351
HF Energy	-388.977907
Nuclear repulsion energy	88.025927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ	2068	2068
2	Σ	504	504
3	Π	314	314
3	Π	314	314

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.517
C2	0.000	0.000	-1.472
N3	0.000	0.000	-2.650

	I1	C2	N3
I1		1.9890	3.1664
C2	1.9890		1.1774
N3	3.1664	1.1774

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

using model chemistry: MP4/Def2TZVPP

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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