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	hartrees
Energy at 0K	-426.692741
Energy at 298.15K	-426.691530
HF Energy	-425.924787
Nuclear repulsion energy	102.831326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1968	1968	1556.28
2	A'	556	556	99.98
3	A'	254	254	75.91

Atom	x (Å)	y (Å)
N1	0.476	-1.668
O2	-0.416	-2.342
I3	0.000	0.574

	N1	O2	I3
N1		1.1183	2.2920
O2	1.1183		2.9457
I3	2.2920	2.9457

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

using model chemistry: CISD/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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