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	hartrees
Energy at 0K	-876.101914
Energy at 298.15K	-876.102124
Nuclear repulsion energy	102.871561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	507	484
2	Σ_u	668	638
3	Π_u	71	68
3	Π_u	71	68

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
F2	0.000	0.000	2.060
F3	0.000	0.000	-2.060

	Ca1	F2	F3
Ca1		2.0601	2.0601
F2	2.0601		4.1202
F3	2.0601	4.1202

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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