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	hartrees
Energy at 0K	-48.381560
Energy at 298.15K
HF Energy	-48.381560
Nuclear repulsion energy	19.027774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	678	612	0.00	0.58	0.12	0.21
2	A_g	397	358	0.00	0.15	0.22	0.36
3	B_1u	689	622	293.95	0.00	0.00	0.00
4	B_2u	575	520	307.84	0.00	0.00	0.00
5	B_3g	567	512	0.00	0.26	0.75	0.86
6	B_3u	317	286	237.05	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.083	0.000
Li2	-1.083	0.000
F3	0.000	1.295
F4	0.000	-1.295

	Li1	Li2	F3	F4
Li1		2.1656	1.6884	1.6884
Li2	2.1656		1.6884	1.6884
F3	1.6884	1.6884		2.5910
F4	1.6884	1.6884	2.5910

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.779		Li1	F4	Li2	79.779
F3	Li1	F4	100.221		F3	Li2	F4	100.221

All results from a given calculation for Li₂F₂ (Lithium fluoride dimer)

using model chemistry: HF/CEP-121G*

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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Number	Element	Mulliken
1	Li	0.848
2	Li	0.848
3	F	-0.848
4	F	-0.848

<r²>	34.272
(<r²>)^1/2	5.854

All results from a given calculation for Li2F2 (Lithium fluoride dimer)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for Li₂F₂ (Lithium fluoride dimer)