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	hartrees
Energy at 0K	-62.686818
Energy at 298.15K	-62.684352
HF Energy	-62.686818
Nuclear repulsion energy	10.699109

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.809
C2	0.000	0.000	0.674

	B1	C2
B1		1.4838
C2	1.4838

Number	Element	Mulliken	CHELPG	AIM	ESP
1	B	0.053
2	C	-0.053

	x	y	z	Total
	0.000	0.000	-1.220	1.220
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/cc-pVTZ

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>	13.912
(<r²>)^1/2	3.730