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	hartrees
Energy at 0K	-7018.852965
Energy at 298.15K
HF Energy	-7018.734100
Nuclear repulsion energy	177.524241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1412	1412	521.10
2	A'	488	488	51.21
3	A'	231	231	29.15

Atom	x (Å)	y (Å)
N1	0.503	-1.754
O2	-0.440	-2.497
I3	0.000	0.609

	N1	O2	I3
N1		1.1998	2.4154
O2	1.1998		3.1361
I3	2.4154	3.1361

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

using model chemistry: B2PLYP=FULLultrafine/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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