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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	-25.256337
Energy at 298.15K	-25.255110
HF Energy	-25.131328
Nuclear repulsion energy	2.154750

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.205
H2	0.000	0.000	-1.023

	B1	H2
B1		1.2279
H2	1.2279

	hartrees
Energy at 0K	-25.209275
Energy at 298.15K	-25.208048
HF Energy	-25.118077
Nuclear repulsion energy	2.229964

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

using model chemistry: CCSD=FULL/cc-pVQZ

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		1.1865
H2	1.1865

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

using model chemistry: CCSD=FULL/cc-pVQZ

States and conformations

State 1 (1Σ)

State 2 (3Π)

State 1 (¹Σ)

State 2 (³Π)