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	hartrees
Energy at 0K	-711.640771
Energy at 298.15K	-711.639731
HF Energy	-711.640771
Nuclear repulsion energy	25.754417

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.569
C2	0.000	0.000	-1.897

	Ca1	C2
Ca1		2.4656
C2	2.4656

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.377
2	C	-0.377

	x	y	z	Total
	0.000	0.000	3.365	3.365
CHELPG
AIM
ESP

All results from a given calculation for CaC (Calcium monocarbide)

using model chemistry: PBEPBE/3-21G*

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>	46.315
(<r²>)^1/2	6.805