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

	hartrees
Energy at 0K	-24.781791
Energy at 298.15K	-24.780564
HF Energy	-24.752788
Nuclear repulsion energy	2.147617

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.205
H2	0.000	0.000	-1.027

	B1	H2
B1		1.2320
H2	1.2320

	hartrees
Energy at 0K	-24.763746
Energy at 298.15K	-24.762519
HF Energy	-24.751352
Nuclear repulsion energy	2.266048

All results from a given calculation for BH (Boron monohydride)

using model chemistry: MP2/STO-3G

States and conformations

State 1 (¹Σ)

State 2 (³Π)

	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	H2
B1		1.1676
H2	1.1676

All results from a given calculation for BH (Boron monohydride)

using model chemistry: MP2/STO-3G

States and conformations

State 1 (1Σ)

State 2 (3Π)

State 1 (¹Σ)

State 2 (³Π)