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	hartrees
Energy at 0K	-427.580646
Energy at 298.15K	-427.579389
HF Energy	-427.580646
Nuclear repulsion energy	100.165727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1860	1860	991.50
2	A'	515	515	53.12
3	A'	242	242	30.20

Atom	x (Å)	y (Å)
N1	0.478	-1.717
O2	-0.418	-2.418
I3	0.000	0.592

	N1	O2	I3
N1		1.1372	2.3578
O2	1.1372		3.0385
I3	2.3578	3.0385

Number	Element	Mulliken
1	N	0.148
2	O	0.010
3	I	-0.158

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

using model chemistry: TPSSh/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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	x	y	z	Total
	-0.038	-1.747	0.000	1.747
CHELPG
AIM
ESP

	x	y	z
x	4.884	-0.148	0.000
y	-0.148	12.048	0.000
z	0.000	0.000	4.445

<r²>	101.832
(<r²>)^1/2	10.091