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

	hartrees
Energy at 0K	-365.462775
Energy at 298.15K	-365.461917
HF Energy	-365.274729
Nuclear repulsion energy	22.623370

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.316
P2	0.000	0.000	0.439

	B1	P2
B1		1.7541
P2	1.7541

	hartrees
Energy at 0K	-365.450934
Energy at 298.15K	-365.450091
HF Energy	-365.198749
Nuclear repulsion energy	23.554646

All results from a given calculation for BP (Boron monophosphide)

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

State 1 (³Π)

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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	B1	P2
B1		1.6848
P2	1.6848

All results from a given calculation for BP (Boron monophosphide)

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)