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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	³Σ
4	1	yes	C*V	¹Σ

	hartrees
Energy at 0K	-2254.965658
Energy at 298.15K	-2254.966111
HF Energy	-2254.965658
Nuclear repulsion energy	106.941192

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	0.750
P2	0.000	0.000	-1.551

	Ga1	P2
Ga1		2.3010
P2	2.3010

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	0.317
2	P	-0.317

All results from a given calculation for GaP (Gallium monophosphide)

using model chemistry: M06-2X/3-21G

States and conformations

State 1 (³Σ)

State 2 (³Π)

State 3 (¹Π)

	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>	72.811
(<r²>)^1/2	8.533

All results from a given calculation for GaP (Gallium monophosphide)

using model chemistry: M06-2X/3-21G

States and conformations

State 1 (3Σ)

State 2 (3Π)

State 3 (1Π)

State 1 (³Σ)

State 2 (³Π)

State 3 (¹Π)