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	hartrees
Energy at 0K	-876.065120
Energy at 298.15K	-876.065345
Nuclear repulsion energy	103.238125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	515	477	0.00
2	Σ_u	676	626	173.90
3	Π_u	73	67	123.07
3	Π_u	73	67	123.07

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
F2	0.000	0.000	2.053
F3	0.000	0.000	-2.053

	Ca1	F2	F3
Ca1		2.0529	2.0529
F2	2.0529		4.1058
F3	2.0529	4.1058

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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