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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	-25.231887
Energy at 298.15K	-25.228582
HF Energy	-25.118931
Nuclear repulsion energy	2.144992

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	0.206
H2	0.000	0.000	-1.028

	B1	H2
B1		1.2335
H2	1.2335

	hartrees
Energy at 0K	-25.179885
Energy at 298.15K	-25.176580
HF Energy	-25.107031
Nuclear repulsion energy	2.232697

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

using model chemistry: CBS-Q

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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You are here: Calculated > Energy > Optimized > Energy

	B1	H2
B1		1.1851
H2	1.1851

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

using model chemistry: CBS-Q

States and conformations

State 1 (1Σ)

State 2 (3Π)

State 1 (¹Σ)

State 2 (³Π)