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

	hartrees
Energy at 0K	-582.622083
Energy at 298.15K	-582.622087
HF Energy	-582.622083
Nuclear repulsion energy	45.503736

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	-1.215
P2	0.000	0.000	1.053

	Al1	P2
Al1		2.2677
P2	2.2677

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.203
2	P	-0.203

All results from a given calculation for AlP (Aluminum monophosphide)

using model chemistry: ROHF/aug-cc-pVTZ

States and conformations

State 1 (³Σ)

State 2 (³Π)

	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>	52.481
(<r²>)^1/2	7.244

<r²>	52.481
(<r²>)^1/2	7.244

All results from a given calculation for AlP (Aluminum monophosphide)

using model chemistry: ROHF/aug-cc-pVTZ

States and conformations

State 1 (3Σ)

State 2 (3Π)

State 1 (³Σ)

State 2 (³Π)