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	hartrees
Energy at 0K	-214.780282
Energy at 298.15K
HF Energy	-214.780282
Nuclear repulsion energy	50.964573

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	651	651	0.00	7.24	0.02	0.04
2	A_g	355	355	0.00	0.34	0.19	0.32
3	B_1u	654	654	282.85	0.00	0.00	0.00
4	B_2u	551	551	260.07	0.00	0.00	0.00
5	B_3g	544	544	0.00	0.57	0.75	0.86
6	B_3u	280	280	183.68	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Li1	1.111	0.000
Li2	-1.111	0.000
F3	0.000	1.340
F4	0.000	-1.340

	Li1	Li2	F3	F4
Li1		2.2228	1.7409	1.7409
Li2	2.2228		1.7409	1.7409
F3	1.7409	1.7409		2.6800
F4	1.7409	1.7409	2.6800

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Li1	F3	Li2	79.346		Li1	F4	Li2	79.346
F3	Li1	F4	100.654		F3	Li2	F4	100.654

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

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

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	0.649
2	Li	0.649
3	F	-0.649
4	F	-0.649

<r²>	49.193
(<r²>)^1/2	7.014

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

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

States and conformations

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