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	hartrees
Energy at 0K	-875.912734
Energy at 298.15K	-875.912915
Nuclear repulsion energy	100.266073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	448	431	0.00
2	Σ_u	604	582	88.14
3	Π_u	85	81	147.50
3	Π_u	85	81	147.50

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
F2	0.000	0.000	2.114
F3	0.000	0.000	-2.114

	Ca1	F2	F3
Ca1		2.1137	2.1137
F2	2.1137		4.2275
F3	2.1137	4.2275

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

using model chemistry: QCISD/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: QCISD/6-31G

States and conformations

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