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	hartrees
Energy at 0K	-877.419012
Energy at 298.15K
HF Energy	-877.419012
Nuclear repulsion energy	105.571843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	515	493	0.00
2	Σ_u	645	617	289.67
3	Π_u	79i	75i	108.29
3	Π_u	79i	75i	108.29

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
F2	0.000	0.000	2.002
F3	0.000	0.000	-2.002

	Ca1	F2	F3
Ca1		2.0016	2.0016
F2	2.0016		4.0033
F3	2.0016	4.0033

Number	Element	Mulliken
1	Ca	1.312
2	F	-0.656
3	F	-0.656

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

using model chemistry: wB97X-D/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>	90.910
(<r²>)^1/2	9.535

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

using model chemistry: wB97X-D/6-311G**

States and conformations

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