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	hartrees
Energy at 0K	-876.147019
Energy at 298.15K	-876.147260
Nuclear repulsion energy	101.179519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	472	445	0.00
2	Σ_u	623	587	203.42
3	Π_u	92	87	141.44
3	Π_u	92	87	141.44

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
F2	0.000	0.000	2.095
F3	0.000	0.000	-2.095

	Ca1	F2	F3
Ca1		2.0946	2.0946
F2	2.0946		4.1893
F3	2.0946	4.1893

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

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

States and conformations

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