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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	-62.554828
Energy at 298.15K	-62.552355
HF Energy	-62.340360
Nuclear repulsion energy	10.767504

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.804
C2	0.000	0.000	0.670

	B1	C2
B1		1.4744
C2	1.4744

	hartrees
Energy at 0K	-62.537872
Energy at 298.15K	-62.535433
Nuclear repulsion energy	11.498865

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

using model chemistry: MP2=FULL/cc-pVQZ

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		1.3806
C2	1.3806

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

using model chemistry: MP2=FULL/cc-pVQZ

States and conformations

State 1 (4Σ-)

State 2 (2Π)

State 1 (⁴Σ^-)

State 2 (²Π)