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	hartrees
Energy at 0K	-6941.979788
Energy at 298.15K	-6941.977294
HF Energy	-6941.790045
Nuclear repulsion energy	161.471480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	2013	1790	17.37
2	Σ	511	454	1.53
3	Π	319	283	3.55
3	Π	319	283	3.55

Atom	x (Å)	y (Å)	z (Å)
I1	0.000	0.000	0.529
C2	0.000	0.000	-1.495
N3	0.000	0.000	-2.727

	I1	C2	N3
I1		2.0241	3.2561
C2	2.0241		1.2320
N3	3.2561	1.2320

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

using model chemistry: MP2=FULL/STO-3G

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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