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	hartrees
Energy at 0K	-773.527956
Energy at 298.15K	-773.528335
HF Energy	-773.527956
Nuclear repulsion energy	46.952242

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.630
F2	0.000	0.000	-1.399

	Ca1	F2
Ca1		2.0287
F2	2.0287

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.435
2	F	-0.435

	x	y	z	Total
	0.000	0.000	3.855	3.855
CHELPG
AIM
ESP

All results from a given calculation for CaF (Calcium monofluoride)

using model chemistry: M06-2X/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>	41.576
(<r²>)^1/2	6.448