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	hartrees
Energy at 0K	-214.969588
Energy at 298.15K
HF Energy	-214.969588
Nuclear repulsion energy	51.208246

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	710	688	0.00	6.26	0.09	0.16
2	A_g	363	352	0.00	0.21	0.42	0.59
3	B_1u	697	676	188.18	0.00	0.00	0.00
4	B_2u	582	564	280.27	0.00	0.00	0.00
5	B_3g	577	560	0.00	1.59	0.75	0.86
6	B_3u	299	290	199.26	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.126	0.000
Li2	-1.126	0.000
F3	0.000	1.323
F4	0.000	-1.323

	Li1	Li2	F3	F4
Li1		2.2514	1.7373	1.7373
Li2	2.2514		1.7373	1.7373
F3	1.7373	1.7373		2.6465
F4	1.7373	1.7373	2.6465

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	80.776		Li1	F4	Li2	80.776
F3	Li1	F4	99.224		F3	Li2	F4	99.224

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

using model chemistry: B3LYP/cc-pVDZ

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	0.454
2	Li	0.454
3	F	-0.454
4	F	-0.454

<r²>	48.472
(<r²>)^1/2	6.962

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

using model chemistry: B3LYP/cc-pVDZ

States and conformations

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