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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	-25.216060
Energy at 298.15K	-25.214833
HF Energy	-25.121844
Nuclear repulsion energy	2.141990

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.206
H2	0.000	0.000	-1.029

	B1	H2
B1		1.2352
H2	1.2352

	hartrees
Energy at 0K	-25.169111
Energy at 298.15K	-25.167885
HF Energy	-25.109842
Nuclear repulsion energy	2.225247

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

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

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		1.1890
H2	1.1890

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

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

States and conformations

State 1 (1Σ)

State 2 (3Π)

State 1 (¹Σ)

State 2 (³Π)