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	hartrees
Energy at 0K	-45.369092
Energy at 298.15K	-45.367801
HF Energy	-45.369092
Nuclear repulsion energy	4.995265

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.271
C2	0.000	0.000	0.636

	Li1	C2
Li1		1.9068
C2	1.9068

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.220
2	C	-0.220

	x	y	z	Total
	0.000	0.000	-6.271	6.271
CHELPG
AIM
ESP

All results from a given calculation for LiC (Lithium Carbide)

using model chemistry: HSEh1PBE/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>	12.355
(<r²>)^1/2	3.515