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	hartrees
Energy at 0K	-715.371677
Energy at 298.15K	-715.370650
HF Energy	-715.371677
Nuclear repulsion energy	26.117714

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.561
C2	0.000	0.000	-1.870

	Ca1	C2
Ca1		2.4313
C2	2.4313

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.539
2	C	-0.539

	x	y	z	Total
	0.000	0.000	4.604	4.604
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/6-31+G**

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>	45.837
(<r²>)^1/2	6.770