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	hartrees
Energy at 0K	-7016.761044
Energy at 298.15K	-7016.759781
HF Energy	-7016.361111
Nuclear repulsion energy	181.173964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1314	1263	381.70
2	A'	501	482	37.82
3	A'	258	248	12.27

Atom	x (Å)	y (Å)
N1	0.515	-1.699
O2	-0.451	-2.439
I3	0.000	0.592

	N1	O2	I3
N1		1.2168	2.3483
O2	1.2168		3.0645
I3	2.3483	3.0645

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

using model chemistry: QCISD/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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