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	hartrees
Energy at 0K	-875.868157
Energy at 298.15K	-875.868095
HF Energy	-875.868157
Nuclear repulsion energy	104.272079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	490	444	0.00
2	Σ_u	609	552	309.89
3	Π_u	11	10	130.49
3	Π_u	11	10	130.49

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
F2	0.000	0.000	2.036
F3	0.000	0.000	-2.036

	Ca1	F2	F3
Ca1		2.0357	2.0357
F2	2.0357		4.0713
F3	2.0357	4.0713

Number	Element	Mulliken
1	Ca	1.576
2	F	-0.788
3	F	-0.788

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

using model chemistry: HF/Def2TZVPP

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>	93.608
(<r²>)^1/2	9.675

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

using model chemistry: HF/Def2TZVPP

States and conformations

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