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	hartrees
Energy at 0K	-776.280239
Energy at 298.15K	-776.280611
Nuclear repulsion energy	47.810292

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.618
F2	0.000	0.000	-1.374

	Ca1	F2
Ca1		1.9923
F2	1.9923

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Ca	0.748
2	F	-0.748

	x	y	z	Total
	0.000	0.000	2.844	2.844
CHELPG
AIM
ESP

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

using model chemistry: HF/6-311G*

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>	41.459
(<r²>)^1/2	6.439