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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	-2239.635560
Energy at 298.15K	-2239.636145
HF Energy	-2239.635560
Nuclear repulsion energy	118.774649

Atom	x (Å)	y (Å)	z (Å)
Ga1	0.000	0.000	0.676
P2	0.000	0.000	-1.396

	Ga1	P2
Ga1		2.0717
P2	2.0717

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ga	-0.192
2	P	0.192

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

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

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>	60.988
(<r²>)^1/2	7.809

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

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

States and conformations

State 1 (3Σ)

State 2 (3Π)

State 3 (1Π)

State 1 (³Σ)

State 2 (³Π)

State 3 (¹Π)