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	hartrees
Energy at 0K	-7016.707835
Energy at 298.15K	-7016.706613
HF Energy	-7016.366197
Nuclear repulsion energy	183.635068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1506	1407	781.69
2	A'	537	502	72.39
3	A'	262	245	40.46

Atom	x (Å)	y (Å)
N1	0.502	-1.687
O2	-0.439	-2.405
I3	0.000	0.586

	N1	O2	I3
N1		1.1834	2.3272
O2	1.1834		3.0225
I3	2.3272	3.0225

All results from a given calculation for INO (Nitrosyl iodide)

using model chemistry: CISD/3-21G*

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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