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	hartrees
Energy at 0K	-3849.770507
Energy at 298.15K	-3849.770779
HF Energy	-3849.770507
Nuclear repulsion energy	185.430469

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	1.371
Ga2	0.000	0.000	-1.371

	Ga1	Ga2
Ga1		2.7425
Ga2	2.7425

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	0.000
2	Ga	0.000

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for Ga₂ (Gallium diatomic)

using model chemistry: B3LYPultrafine/TZVP

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>	138.312
(<r²>)^1/2	11.761

All results from a given calculation for Ga2 (Gallium diatomic)

using model chemistry: B3LYPultrafine/TZVP

States and conformations

All results from a given calculation for Ga₂ (Gallium diatomic)