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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	³Σ
2	1	yes	C*V	¹Σ

	hartrees
Energy at 0K	-2154.704288
Energy at 298.15K
HF Energy	-2154.586784
Nuclear repulsion energy	83.196247

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	-1.806
Ga2	0.000	0.000	0.757

	Al1	Ga2
Al1		2.5633
Ga2	2.5633

	hartrees
Energy at 0K	-2154.695117
Energy at 298.15K
HF Energy	-2154.575310
Nuclear repulsion energy	72.612708

All results from a given calculation for AlGa (Aluminum Gallium)

using model chemistry: CID/3-21G*

States and conformations

State 1 (³Σ)

State 2 (¹Σ)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for AlGa (Aluminum Gallium)

using model chemistry: CID/3-21G*

States and conformations

State 1 (3Σ)

State 2 (1Σ)

State 1 (³Σ)

State 2 (¹Σ)