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	hartrees
Energy at 0K	-62.588150
Energy at 298.15K	-62.585685
HF Energy	-62.588150
Nuclear repulsion energy	10.659806

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

	B1	C2
B1		1.4893
C2	1.4893

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.076
2	C	-0.076

	x	y	z	Total
	0.000	0.000	-1.487	1.487
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/aug-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>	13.972
(<r²>)^1/2	3.738