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	hartrees
Energy at 0K	-6980.332652
Energy at 298.15K	-6980.331445
HF Energy	-6980.262926
Nuclear repulsion energy	182.566191

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1625	1625	140.86
2	A'	579	579	39.11
3	A'	312	312	16.97

Atom	x (Å)	y (Å)
N1	0.530	-1.653
O2	-0.464	-2.426
I3	0.000	0.585

	N1	O2	I3
N1		1.2595	2.2994
O2	1.2595		3.0462
I3	2.2994	3.0462

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

using model chemistry: B2PLYP=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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