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	hartrees
Energy at 0K	-876.090471
Energy at 298.15K	-876.090700
Nuclear repulsion energy	103.139149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	514	482	0.00
2	Σ_u	675	633	172.42
3	Π_u	73	68	122.01
3	Π_u	73	68	122.01

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
F2	0.000	0.000	2.055
F3	0.000	0.000	-2.055

	Ca1	F2	F3
Ca1		2.0549	2.0549
F2	2.0549		4.1097
F3	2.0549	4.1097

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)