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	hartrees
Energy at 0K	-211.628555
Energy at 298.15K
HF Energy	-211.628555
Nuclear repulsion energy	55.626832

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	890	785	0.00	24.07	0.10	0.18
2	A_g	437	386	0.00	0.89	0.74	0.85
3	B_1u	800	706	96.13	0.00	0.00	0.00
4	B_2u	859	757	190.97	0.00	0.00	0.00
5	B_3g	761	671	0.00	0.00	0.75	0.86
6	B_3u	257	227	64.39	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.109	0.000
Li2	-1.109	0.000
F3	0.000	1.179
F4	0.000	-1.179

	Li1	Li2	F3	F4
Li1		2.2178	1.6187	1.6187
Li2	2.2178		1.6187	1.6187
F3	1.6187	1.6187		2.3586
F4	1.6187	1.6187	2.3586

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	86.475		Li1	F4	Li2	86.475
F3	Li1	F4	93.525		F3	Li2	F4	93.525

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

using model chemistry: PBE1PBE/STO-3G

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	0.102
2	Li	0.102
3	F	-0.102
4	F	-0.102

<r²>	41.493
(<r²>)^1/2	6.442

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

using model chemistry: PBE1PBE/STO-3G

States and conformations

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