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	hartrees
Energy at 0K	-877.369861
Energy at 298.15K	-877.370467
Nuclear repulsion energy	105.133709

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	521	502	7.58
2	A₁	97	94	88.78
3	B₂	664	640	169.59

Atom	y (Å)	z (Å)
Ca1	0.000	0.176
F2	1.985	-0.196
F3	-1.985	-0.196

	Ca1	F2	F3
Ca1		2.0194	2.0194
F2	2.0194		3.9697
F3	2.0194	3.9697

Number	Element	Mulliken
1	Ca	1.060
2	F	-0.530
3	F	-0.530

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

using model chemistry: B3LYP/6-31G(2df,p)

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: B3LYP/6-31G(2df,p)

States and conformations

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