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	hartrees
Energy at 0K	-2024.959546
Energy at 298.15K
HF Energy	-2024.959546
Nuclear repulsion energy	82.586453

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	0.402
F2	0.000	0.000	-1.385

	Ga1	F2
Ga1		1.7877
F2	1.7877

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	0.365
2	F	-0.365

	x	y	z	Total
	0.000	0.000	2.320	2.320
CHELPG
AIM
ESP

All results from a given calculation for GaF (Gallium monofluoride)

using model chemistry: mPW1PW91/aug-cc-pVTZ

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>	35.575
(<r²>)^1/2	5.965