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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	-62.080880
Energy at 298.15K	-62.078385
HF Energy	-61.961159
Nuclear repulsion energy	10.337351

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.838
C2	0.000	0.000	0.698

	B1	C2
B1		1.5357
C2	1.5357

	hartrees
Energy at 0K	-62.066058
Energy at 298.15K	-62.063584
Nuclear repulsion energy	10.616260

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

using model chemistry: QCISD/3-21G*

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		1.4954
C2	1.4954

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

using model chemistry: QCISD/3-21G*

States and conformations

State 1 (4Σ-)

State 2 (2Π)

State 1 (⁴Σ^-)

State 2 (²Π)