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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	-25.233103
Energy at 298.15K	-25.231876
HF Energy	-25.131370
Nuclear repulsion energy	2.146835

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

	B1	H2
B1		1.2325
H2	1.2325

	hartrees
Energy at 0K	-25.185183
Energy at 298.15K	-25.183956
HF Energy	-25.118070
Nuclear repulsion energy	2.223381

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

using model chemistry: CCSD/aug-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		1.1900
H2	1.1900

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

using model chemistry: CCSD/aug-cc-pVQZ

States and conformations

State 1 (1Σ)

State 2 (3Π)

State 1 (¹Σ)

State 2 (³Π)