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	hartrees
Energy at 0K	-877.136930
Energy at 298.15K	-877.137039
Nuclear repulsion energy	100.644098

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	438	419	0.00
2	Σ_u	594	569	69.09
3	Π_u	69	66	127.98
3	Π_u	69	66	127.98

Atom	x (Å)	y (Å)	z (Å)
Ca1	0.000	0.000	0.000
F2	0.000	0.000	2.106
F3	0.000	0.000	-2.106

	Ca1	F2	F3
Ca1		2.1058	2.1058
F2	2.1058		4.2116
F3	2.1058	4.2116

Number	Element	Mulliken
1	Ca	1.496
2	F	-0.748
3	F	-0.748

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

using model chemistry: B3PW91/6-31G

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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<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/6-31G

States and conformations

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