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	hartrees
Energy at 0K	-7013.001291
Energy at 298.15K
HF Energy	-7013.001291
Nuclear repulsion energy	120.751007

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-2.116
I2	0.000	0.000	0.439

	Na1	I2
Na1		2.5549
I2	2.5549

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.668
2	I	-0.668

	x	y	z	Total
	0.000	0.000	-9.281	9.281
CHELPG
AIM
ESP

All results from a given calculation for NaI (Sodium Iodide)

using model chemistry: BLYP/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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<r²>	75.520
(<r²>)^1/2	8.690