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	hartrees
Energy at 0K	-4159.997266
Energy at 298.15K
HF Energy	-4159.997266
Nuclear repulsion energy	209.786815

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	-1.331
As2	0.000	0.000	1.250

	Ga1	As2
Ga1		2.5805
As2	2.5805

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	0.149
2	As	-0.149

	x	y	z	Total
	0.000	0.000	-1.258	1.258
CHELPG
AIM
ESP

All results from a given calculation for GaAs (Gallium arsenide)

using model chemistry: PBEPBE/6-311+G(3df,2p)

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>	128.769
(<r²>)^1/2	11.348