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	hartrees
Energy at 0K	-877.059776
Energy at 298.15K	-877.060393
Nuclear repulsion energy	107.770145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	552	546	35.75
2	A₁	103	102	50.36
3	B₂	626	620	225.50

Atom	y (Å)	z (Å)
Ca1	0.000	0.372
F2	1.823	-0.413
F3	-1.823	-0.413

	Ca1	F2	F3
Ca1		1.9842	1.9842
F2	1.9842		3.6451
F3	1.9842	3.6451

Number	Element	Mulliken
1	Ca	1.134
2	F	-0.567
3	F	-0.567

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

using model chemistry: PBEPBE/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>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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