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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	-365.465267
Energy at 298.15K	-365.464436
HF Energy	-365.298946
Nuclear repulsion energy	22.879725

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.301
P2	0.000	0.000	0.434

	B1	P2
B1		1.7346
P2	1.7346

	hartrees
Energy at 0K	-365.442580
Energy at 298.15K	-365.441744
HF Energy	-365.221939
Nuclear repulsion energy	23.487928

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

using model chemistry: MP3=FULL/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		1.6897
P2	1.6897

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

using model chemistry: MP3=FULL/cc-pVDZ

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)