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	hartrees
Energy at 0K	-214.816522
Energy at 298.15K
HF Energy	-214.816522
Nuclear repulsion energy	51.546480

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	673	673	0.00	5.08	0.01	0.02
2	A_g	363	363	0.00	0.25	0.14	0.25
3	B_1u	678	678	294.06	0.00	0.00	0.00
4	B_2u	575	575	270.69	0.00	0.00	0.00
5	B_3g	565	565	0.00	0.31	0.75	0.86
6	B_3u	286	286	195.77	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.103	0.000
Li2	-1.103	0.000
F3	0.000	1.323
F4	0.000	-1.323

	Li1	Li2	F3	F4
Li1		2.2064	1.7223	1.7223
Li2	2.2064		1.7223	1.7223
F3	1.7223	1.7223		2.6452
F4	1.7223	1.7223	2.6452

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.664		Li1	F4	Li2	79.664
F3	Li1	F4	100.336		F3	Li2	F4	100.336

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

using model chemistry: HSEh1PBE/daug-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	0.595
2	Li	0.595
3	F	-0.595
4	F	-0.595

<r²>	48.010
(<r²>)^1/2	6.929

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

using model chemistry: HSEh1PBE/daug-cc-pVTZ

States and conformations

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