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	hartrees
Energy at 0K	-877.469177
Energy at 298.15K	-877.469785
Nuclear repulsion energy	107.228788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	546	545	34.45
2	A₁	102	102	50.09
3	B₂	619	618	218.12

Atom	y (Å)	z (Å)
Ca1	0.000	0.375
F2	1.831	-0.416
F3	-1.831	-0.416

	Ca1	F2	F3
Ca1		1.9943	1.9943
F2	1.9943		3.6617
F3	1.9943	3.6617

Number	Element	Mulliken
1	Ca	1.131
2	F	-0.565
3	F	-0.565

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

using model chemistry: BLYP/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: BLYP/6-311G*

States and conformations

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