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	hartrees
Energy at 0K	-62.220876
Energy at 298.15K	-62.218410
HF Energy	-62.220876
Nuclear repulsion energy	10.581843

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.818
C2	0.000	0.000	0.682

	B1	C2
B1		1.5002
C2	1.5002

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.028
2	C	-0.028

	x	y	z	Total
	0.000	0.000	-0.810	0.810
CHELPG
AIM
ESP

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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<r²>	13.993
(<r²>)^1/2	3.741