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	hartrees
Energy at 0K	-62.585279
Energy at 298.15K	-62.582814
HF Energy	-62.585279
Nuclear repulsion energy	10.643677

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.814
C2	0.000	0.000	0.678

	B1	C2
B1		1.4915
C2	1.4915

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.083
2	C	-0.083

	x	y	z	Total
	0.000	0.000	-1.308	1.308
CHELPG
AIM
ESP

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

using model chemistry: PBE1PBE/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>	13.872
(<r²>)^1/2	3.724