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	hartrees
Energy at 0K	-876.450862
Energy at 298.15K	-876.451390
Nuclear repulsion energy	105.175929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	522	498	14.50
2	A₁	58	55	100.58
3	B₂	647	617	250.74

Atom	y (Å)	z (Å)
Ca1	0.000	0.199
F2	1.975	-0.221
F3	-1.975	-0.221

	Ca1	F2	F3
Ca1		2.0196	2.0196
F2	2.0196		3.9506
F3	2.0196	3.9506

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

using model chemistry: QCISD/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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All results from a given calculation for CaF2 (Calcium difluoride)

using model chemistry: QCISD/6-311G**

States and conformations

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