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	hartrees
Energy at 0K	-872.860222
Energy at 298.15K	-872.860240
HF Energy	-872.860222
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	382	375	0.00
2	Σ_u	517	509	25.14
3	Π_u	72	70	65.51
3	Π_u	72	70	65.51

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
F2	0.000	0.000	2.132
F3	0.000	0.000	-2.132

	Ca1	F2	F3
Ca1		2.1322	2.1322
F2	2.1322		4.2644
F3	2.1322	4.2644

Number	Element	Mulliken
1	Ca	1.095
2	F	-0.548
3	F	-0.548

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

using model chemistry: B97D3/3-21G

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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<r²>	102.429
(<r²>)^1/2	10.121

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

using model chemistry: B97D3/3-21G

States and conformations

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