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	hartrees
Energy at 0K	-872.876675
Energy at 298.15K	-872.876892
HF Energy	-872.876675
Nuclear repulsion energy	104.301790

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	528	500	0.00
2	Σ_u	710	673	69.50
3	Π_u	63	59	116.00
4	Π_u	63	59	116.00

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
F2	0.000	0.000	2.032
F3	0.000	0.000	-2.032

	Ca1	F2	F3
Ca1		2.0319	2.0319
F2	2.0319		4.0639
F3	2.0319	4.0639

Number	Element	Mulliken
1	Ca	0.930
2	F	-0.465
3	F	-0.465

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

using model chemistry: M06-2X/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>	93.725
(<r²>)^1/2	9.681

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

using model chemistry: M06-2X/3-21G*

States and conformations

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