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	hartrees
Energy at 0K	-876.262670
Energy at 298.15K	-876.263268
Nuclear repulsion energy	105.186507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	533	533	7.55
2	A₁	83	83	103.70
3	B₂	683	683	206.89

Atom	y (Å)	z (Å)
Ca1	0.000	0.155
F2	1.991	-0.172
F3	-1.991	-0.172

	Ca1	F2	F3
Ca1		2.0176	2.0176
F2	2.0176		3.9820
F3	2.0176	3.9820

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

using model chemistry: CISD/6-31G(2df,p)

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: CISD/6-31G(2df,p)

States and conformations

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