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	hartrees
Energy at 0K	-872.535323
Energy at 298.15K	-872.535341
Nuclear repulsion energy	103.182437

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	486	463	0.00
2	Σ_u	654	623	36.27
3	Π_u	26	25	98.35
3	Π_u	26	25	98.35

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
F2	0.000	0.000	2.054
F3	0.000	0.000	-2.054

	Ca1	F2	F3
Ca1		2.0540	2.0540
F2	2.0540		4.1080
F3	2.0540	4.1080

Number	Element	Mulliken
1	Ca	0.735
2	F	-0.368
3	F	-0.368

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

using model chemistry: PBEPBE/3-21G*

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/3-21G*

States and conformations

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