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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	-365.453223
Energy at 298.15K	-365.452395
HF Energy	-365.301480
Nuclear repulsion energy	22.896042

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.300
P2	0.000	0.000	0.433

	B1	P2
B1		1.7334
P2	1.7334

	hartrees
Energy at 0K	-365.447499
Energy at 298.15K	-365.446659
HF Energy	-365.221644
Nuclear repulsion energy	23.100939

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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		1.7180
P2	1.7180

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)