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	hartrees
Energy at 0K	-427.761512
Energy at 298.15K	-427.760253
HF Energy	-427.761512
Nuclear repulsion energy	100.160737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1881	1881	1067.97
2	A'	515	515	55.72
3	A'	240	240	33.26

Atom	x (Å)	y (Å)
N1	0.477	-1.723
O2	-0.418	-2.418
I3	0.000	0.592

	N1	O2	I3
N1		1.1328	2.3640
O2	1.1328		3.0389
I3	2.3640	3.0389

Number	Element	Mulliken
1	N	0.130
2	O	0.007
3	I	-0.137

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

using model chemistry: B3LYPultrafine/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
	-0.029	-1.704	0.000	1.705
CHELPG
AIM
ESP

	x	y	z
x	4.836	-0.169	0.000
y	-0.169	12.138	0.000
z	0.000	0.000	4.396

<r²>	102.151
(<r²>)^1/2	10.107