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	hartrees
Energy at 0K	-876.085754
Energy at 298.15K
HF Energy	-875.703939
Nuclear repulsion energy	103.220805

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
F2	0.000	0.000	2.069
F3	0.000	0.000	-2.069

	Ca1	F2	F3
Ca1		2.0688	2.0688
F2	2.0688		4.1376
F3	2.0688	4.1376

All results from a given calculation for CaF₂ (Calcium difluoride)

using model chemistry: MP3/6-31+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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All results from a given calculation for CaF2 (Calcium difluoride)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for CaF₂ (Calcium difluoride)