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	hartrees
Energy at 0K	-875.908817
Energy at 298.15K	-875.909016
Nuclear repulsion energy	100.509953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	455	436	0.00
2	Σ_u	613	588	103.81
3	Π_u	86	83	154.00
3	Π_u	86	83	154.00

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
F2	0.000	0.000	2.109
F3	0.000	0.000	-2.109

	Ca1	F2	F3
Ca1		2.1086	2.1086
F2	2.1086		4.2172
F3	2.1086	4.2172

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

using model chemistry: CCD/6-31G

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

using model chemistry: CCD/6-31G

States and conformations

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