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	hartrees
Energy at 0K	-215.009691
Energy at 298.15K
HF Energy	-215.009691
Nuclear repulsion energy	50.817228

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	654	652	0.00	7.03	0.05	0.09
2	A_g	353	352	0.00	0.22	0.23	0.37
3	B_1u	661	659	253.67	0.00	0.00	0.00
4	B_2u	550	548	262.46	0.00	0.00	0.00
5	B_3g	542	541	0.00	1.07	0.75	0.86
6	B_3u	281	280	180.17	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.111	0.000
Li2	-1.111	0.000
F3	0.000	1.346
F4	0.000	-1.346

	Li1	Li2	F3	F4
Li1		2.2226	1.7452	1.7452
Li2	2.2226		1.7452	1.7452
F3	1.7452	1.7452		2.6912
F4	1.7452	1.7452	2.6912

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.105		Li1	F4	Li2	79.105
F3	Li1	F4	100.895		F3	Li2	F4	100.895

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

using model chemistry: BLYP/cc-pVTZ

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	0.388
2	Li	0.388
3	F	-0.388
4	F	-0.388

<r²>	49.499
(<r²>)^1/2	7.036

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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