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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	-25.170247
Energy at 298.15K	-25.169020
HF Energy	-25.108586
Nuclear repulsion energy	2.090798

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.211
H2	0.000	0.000	-1.055

	B1	H2
B1		1.2655
H2	1.2655

	hartrees
Energy at 0K	-25.133564
Energy at 298.15K	-25.132337
HF Energy	-25.100946
Nuclear repulsion energy	2.195465

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

using model chemistry: CCD/6-31G

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		1.2052
H2	1.2052

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

using model chemistry: CCD/6-31G

States and conformations

State 1 (1Σ)

State 2 (3Π)

State 1 (¹Σ)

State 2 (³Π)