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	hartrees
Energy at 0K	-215.052028
Energy at 298.15K
HF Energy	-215.052028
Nuclear repulsion energy	51.466546

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	670	670	0.00	3.18	0.07	0.14
2	A_g	368	368	0.00	0.35	0.27	0.43
3	B_1u	671	671	277.68	0.00	0.07	0.14
4	B_2u	575	575	283.13	0.00	0.00	0.00
5	B_3g	558	558	0.00	0.66	0.75	0.86
6	B_3u	292	292	201.56	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.110	0.000
Li2	-1.110	0.000
F3	0.000	1.322
F4	0.000	-1.322

	Li1	Li2	F3	F4
Li1		2.2197	1.7261	1.7261
Li2	2.2197		1.7261	1.7261
F3	1.7261	1.7261		2.6440
F4	1.7261	1.7261	2.6440

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	80.029		Li1	F4	Li2	80.029
F3	Li1	F4	99.971		F3	Li2	F4	99.971

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

using model chemistry: B3LYPultrafine/Def2TZVPP

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	0.716
2	Li	0.716
3	F	-0.716
4	F	-0.716

<r²>	48.149
(<r²>)^1/2	6.939

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

using model chemistry: B3LYPultrafine/Def2TZVPP

States and conformations

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