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	hartrees
Energy at 0K	-214.815775
Energy at 298.15K
HF Energy	-214.815775
Nuclear repulsion energy	51.491421

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	672	646	0.00	4.91	0.01	0.02
2	A_g	364	350	0.00	0.26	0.14	0.25
3	B_1u	679	653	294.85	0.00	0.00	0.00
4	B_2u	575	553	270.91	0.00	0.00	0.00
5	B_3g	566	544	0.00	0.32	0.75	0.86
6	B_3u	288	277	194.98	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.104	0.000
Li2	-1.104	0.000
F3	0.000	1.324
F4	0.000	-1.324

	Li1	Li2	F3	F4
Li1		2.2071	1.7239	1.7239
Li2	2.2071		1.7239	1.7239
F3	1.7239	1.7239		2.6489
F4	1.7239	1.7239	2.6489

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.602		Li1	F4	Li2	79.602
F3	Li1	F4	100.398		F3	Li2	F4	100.398

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

using model chemistry: HSEh1PBE/aug-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	0.657
2	Li	0.657
3	F	-0.657
4	F	-0.657

<r²>	48.107
(<r²>)^1/2	6.936

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

using model chemistry: HSEh1PBE/aug-cc-pVTZ

States and conformations

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