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	hartrees
Energy at 0K	-427.452107
Energy at 298.15K
HF Energy	-427.107399
Nuclear repulsion energy	99.896566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1832	1832	841.69
2	A'	503	503	53.08
3	A'	234	234	33.12

Atom	x (Å)	y (Å)
N1	0.477	-1.722
O2	-0.417	-2.427
I3	0.000	0.594

	N1	O2	I3
N1		1.1382	2.3648
O2	1.1382		3.0498
I3	2.3648	3.0498

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

using model chemistry: B2PLYP=FULLultrafine/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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