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	hartrees
Energy at 0K	-214.732069
Energy at 298.15K
HF Energy	-214.732069
Nuclear repulsion energy	50.782206

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	651	647	0.00	6.65	0.02	0.03
2	A_g	353	351	0.00	0.32	0.17	0.29
3	B_1u	653	649	281.98	0.00	0.00	0.00
4	B_2u	554	551	265.72	0.00	0.00	0.00
5	B_3g	551	548	0.00	0.62	0.75	0.86
6	B_3u	278	276	189.62	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.118	0.000
Li2	-1.118	0.000
F3	0.000	1.343
F4	0.000	-1.343

	Li1	Li2	F3	F4
Li1		2.2363	1.7478	1.7478
Li2	2.2363		1.7478	1.7478
F3	1.7478	1.7478		2.6867
F4	1.7478	1.7478	2.6867

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.545		Li1	F4	Li2	79.545
F3	Li1	F4	100.455		F3	Li2	F4	100.455

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

using model chemistry: PBEPBEultrafine/aug-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	0.528
2	Li	0.528
3	F	-0.528
4	F	-0.528

<r²>	49.519
(<r²>)^1/2	7.037

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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