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	hartrees
Energy at 0K	-426.945152
Energy at 298.15K	-426.943916
HF Energy	-425.922511
Nuclear repulsion energy	101.738857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1840	1840	1115.76
2	A'	529	529	61.74
3	A'	249	249	39.20

Atom	x (Å)	y (Å)
N1	0.482	-1.678
O2	-0.422	-2.368
I3	0.000	0.579

	N1	O2	I3
N1		1.1368	2.3083
O2	1.1368		2.9769
I3	2.3083	2.9769

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

using model chemistry: CCSD=FULL/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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