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	hartrees
Energy at 0K	-214.788053
Energy at 298.15K
HF Energy	-214.788053
Nuclear repulsion energy	51.435596

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	675	649	0.00	3.72	0.05	0.09
2	A_g	363	349	0.00	0.19	0.23	0.37
3	B_1u	684	657	271.00	0.00	0.00	0.00
4	B_2u	573	551	274.46	0.00	0.00	0.00
5	B_3g	566	544	0.00	0.68	0.75	0.86
6	B_3u	288	276	195.31	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.106	0.000
Li2	-1.106	0.000
F3	0.000	1.325
F4	0.000	-1.325

	Li1	Li2	F3	F4
Li1		2.2121	1.7261	1.7261
Li2	2.2121		1.7261	1.7261
F3	1.7261	1.7261		2.6503
F4	1.7261	1.7261	2.6503

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.700		Li1	F4	Li2	79.700
F3	Li1	F4	100.300		F3	Li2	F4	100.300

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

using model chemistry: PBE1PBE/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	0.450
2	Li	0.450
3	F	-0.450
4	F	-0.450

<r²>	48.126
(<r²>)^1/2	6.937

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

using model chemistry: PBE1PBE/cc-pVTZ

States and conformations

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