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	hartrees
Energy at 0K	-215.023321
Energy at 298.15K
HF Energy	-215.023321
Nuclear repulsion energy	51.570469

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	697	674	0.00	4.81	0.09	0.16
2	A_g	367	355	0.00	0.34	0.48	0.65
3	B_1u	704	680	240.21	0.00	0.00	0.00
4	B_2u	593	573	277.34	0.00	0.00	0.00
5	B_3g	585	565	0.00	0.61	0.75	0.86
6	B_3u	291	281	188.93	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.108	0.000
Li2	-1.108	0.000
F3	0.000	1.319
F4	0.000	-1.319

	Li1	Li2	F3	F4
Li1		2.2169	1.7228	1.7228
Li2	2.2169		1.7228	1.7228
F3	1.7228	1.7228		2.6378
F4	1.7228	1.7228	2.6378

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	80.088		Li1	F4	Li2	80.088
F3	Li1	F4	99.912		F3	Li2	F4	99.912

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

using model chemistry: B3LYPultrafine/6-311G*

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	0.561
2	Li	0.561
3	F	-0.561
4	F	-0.561

<r²>	47.775
(<r²>)^1/2	6.912

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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