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	hartrees
Energy at 0K	-877.236393
Energy at 298.15K	-877.236997
Nuclear repulsion energy	105.335127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	521	501	7.19
2	A₁	96	93	91.90
3	B₂	664	639	180.67

Atom	y (Å)	z (Å)
Ca1	0.000	0.166
F2	1.985	-0.184
F3	-1.985	-0.184

	Ca1	F2	F3
Ca1		2.0151	2.0151
F2	2.0151		3.9692
F3	2.0151	3.9692

Number	Element	Mulliken
1	Ca	1.109
2	F	-0.554
3	F	-0.554

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

using model chemistry: B3PW91/6-31G(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: B3PW91/6-31G(2df,p)

States and conformations

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