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	hartrees
Energy at 0K	-214.782928
Energy at 298.15K
HF Energy	-214.782928
Nuclear repulsion energy	50.910751

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	655	651	0.00	6.99	0.05	0.09
2	A_g	353	350	0.00	0.24	0.22	0.36
3	B_1u	663	658	254.05	0.00	0.00	0.00
4	B_2u	552	549	262.27	0.00	0.00	0.00
5	B_3g	546	542	0.00	1.05	0.75	0.86
6	B_3u	279	277	180.47	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.112	0.000
Li2	-1.112	0.000
F3	0.000	1.342
F4	0.000	-1.342

	Li1	Li2	F3	F4
Li1		2.2247	1.7427	1.7427
Li2	2.2247		1.7427	1.7427
F3	1.7427	1.7427		2.6831
F4	1.7427	1.7427	2.6831

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.328		Li1	F4	Li2	79.328
F3	Li1	F4	100.672		F3	Li2	F4	100.672

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

using model chemistry: PBEPBE/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	0.395
2	Li	0.395
3	F	-0.395
4	F	-0.395

<r²>	49.229
(<r²>)^1/2	7.016

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

using model chemistry: PBEPBE/cc-pVTZ

States and conformations

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