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	hartrees
Energy at 0K	-714.385289
Energy at 298.15K	-714.383646
HF Energy	-714.385289
Nuclear repulsion energy	12.036272

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	1.217
C2	0.000	0.000	-4.058

	Ca1	C2
Ca1		5.2758
C2	5.2758

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	-0.002
2	C	0.002

	x	y	z	Total
	0.000	0.000	0.168	0.168
CHELPG
AIM
ESP

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

using model chemistry: ROHF/6-31G**

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>	147.907
(<r²>)^1/2	12.162