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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	-25.210640
Energy at 298.15K	-25.209413
HF Energy	-25.126075
Nuclear repulsion energy	2.119858

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.208
H2	0.000	0.000	-1.040

	B1	H2
B1		1.2475
H2	1.2475

	hartrees
Energy at 0K	-25.164680
Energy at 298.15K	-25.163453
HF Energy	-25.112549
Nuclear repulsion energy	2.198095

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

using model chemistry: CCSD(T)/6-311G*

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		1.2031
H2	1.2031

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

using model chemistry: CCSD(T)/6-311G*

States and conformations

State 1 (1Σ)

State 2 (3Π)

State 1 (¹Σ)

State 2 (³Π)