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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	-365.480125
Energy at 298.15K	-365.479269
HF Energy	-365.283028
Nuclear repulsion energy	22.719095

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-1.310
P2	0.000	0.000	0.437

	B1	P2
B1		1.7469
P2	1.7469

	hartrees
Energy at 0K	-365.457874
Energy at 298.15K	-365.457032
HF Energy	-365.205101
Nuclear repulsion energy	23.680491

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

using model chemistry: CCSD/6-31G(2df,p)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	B1	P2
B1		1.6760
P2	1.6760

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

using model chemistry: CCSD/6-31G(2df,p)

States and conformations

State 1 (3Π)

State 2 (1Σ)

State 1 (³Π)

State 2 (¹Σ)