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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	C*V	⁴Σ^-
2	1	yes	C*V	²Π

	hartrees
Energy at 0K	-62.445124
Energy at 298.15K	-62.442644
HF Energy	-62.315332
Nuclear repulsion energy	10.663331

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.812
C2	0.000	0.000	0.677

	B1	C2
B1		1.4888
C2	1.4888

	hartrees
Energy at 0K	-62.423971
Energy at 298.15K	-62.421532
HF Energy	-62.209400
Nuclear repulsion energy	11.489579

All results from a given calculation for BC (boron monocarbide)

using model chemistry: MP2/6-31G*

States and conformations

State 1 (⁴Σ^-)

State 2 (²Π)

	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	C2
B1		1.4188
C2	1.4188

All results from a given calculation for BC (boron monocarbide)

using model chemistry: MP2/6-31G*

States and conformations

State 1 (4Σ-)

State 2 (2Π)

State 1 (⁴Σ^-)

State 2 (²Π)