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	hartrees
Energy at 0K	-7051.983597
Energy at 298.15K
HF Energy	-7051.983597
Nuclear repulsion energy	109.701984

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-2.329
I2	0.000	0.000	0.483

	Na1	I2
Na1		2.8123
I2	2.8123

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.564
2	I	-0.564

	x	y	z	Total
	0.000	0.000	-9.684	9.684
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/3-21G

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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<r²>	90.324
(<r²>)^1/2	9.504