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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	-365.928370
Energy at 298.15K	-365.927511
HF Energy	-365.834083
Nuclear repulsion energy	22.701558

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.311
P2	0.000	0.000	0.437

	B1	P2
B1		1.7483
P2	1.7483

	hartrees
Energy at 0K	-365.911688
Energy at 298.15K	-365.910847
HF Energy	-365.791629
Nuclear repulsion energy	23.665605

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

using model chemistry: B2PLYP=FULL/6-311G*

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		1.6770
P2	1.6770

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

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)