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	hartrees
Energy at 0K	-213.542453
Energy at 298.15K
HF Energy	-213.542453
Nuclear repulsion energy	52.711508

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	748	718	0.00	15.90	0.07	0.13
2	A_g	396	380	0.00	0.42	0.56	0.72
3	B_1u	691	664	185.94	0.00	0.00	0.00
4	B_2u	634	609	264.10	0.00	0.00	0.00
5	B_3g	613	588	0.00	0.33	0.75	0.86
6	B_3u	299	287	184.35	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.124	0.000
Li2	-1.124	0.000
F3	0.000	1.269
F4	0.000	-1.269

	Li1	Li2	F3	F4
Li1		2.2486	1.6955	1.6955
Li2	2.2486		1.6955	1.6955
F3	1.6955	1.6955		2.5383
F4	1.6955	1.6955	2.5383

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	83.073		Li1	F4	Li2	83.073
F3	Li1	F4	96.927		F3	Li2	F4	96.927

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

using model chemistry: PBE1PBE/3-21G

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	0.444
2	Li	0.444
3	F	-0.444
4	F	-0.444

<r²>	45.794
(<r²>)^1/2	6.767

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

using model chemistry: PBE1PBE/3-21G

States and conformations

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